path: root/crossvalidations/cdk/tensorflow/pred.lr.v4.csv

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