path: root/data/swiss_log10.csv

SMILES,LOAEL
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8697627521147706
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,3.6948421712135144
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,3.558351987474352
CCOP(=S)(SCSC(C)(C)C)OCC,3.4600461583436033
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,3.2319615946008633
CCSCSP(=S)(OCC)OCC,3.211485180279816
CSc1ccc(cc1C)OP(=S)(OC)OC,3.14352487453815
CCOP(=O)(SC(CC)C)SC(CC)C,3.085640973700997
CNC(=O)CSP(=S)(OC)OC,3.0592942995229597
CCS(=O)CCSP(=O)(OC)OC,3.0490123894936456
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,3.003562759689381
COP(=O)(SCCS(=O)(=O)CC)OC,2.9416499077893463
COC1CC(OC2C(C)C=CC=C3COC4C3(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.COC1CC(OC(C1OC1CC(OC)C(C(O1)C)O)C)OC1C(C)C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C1C)OC1(C2)C=CC(C(O1)C(C)C)C,2.9375684468373877
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,2.9148164919472213
CCOP(=O)(N1CCSC1=O)SC(CC)C,2.8725388374884626
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,2.849366346253572
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.819186224245603
CCSCCSP(=O)(OC)OC,2.8181849850005256
COC(=O)/C=C(/OP(=O)(OC)OC)\C,2.8064580114337825
C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1,2.7420815496859414
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.7213378390900194
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,2.7014962455330385
COP(=O)(SC)N,2.687209307853558
CCCSP(=O)(SCCC)OCC,2.685458670870119
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.67993684040502
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.6742996570840143
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,2.6230764755819704
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,2.605618372320464
CSc1ccc(cc1C)OP(=S)(OC)OC,2.587220359179703
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,2.585645126657133
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,2.544789572224195
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,2.5085682643170304
Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C,2.4811177240761255
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,2.4732602189766197
CNC(=O)Oc1cccc2c1OC(O2)(C)C,2.4456562348692845
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,2.4426251517586928
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,2.4090356263428507
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C,2.408089899068857
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,2.3820356307764845
CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC,2.3796869305976593
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,2.3295964190287313
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)/C=C(/c1ccc(cc1)Cl)\Cl,2.309954619710552
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,2.3055264253989747
CNC(=O)Oc1cccc2c1OC(C2)(C)C,2.276700340769475
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.2677590743838145
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,2.260158776826446
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,2.2516879065790425
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,2.251501873386263
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,2.2462254954430265
COc1sc(=O)n(n1)CSP(=S)(OC)OC,2.244956432365732
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,2.22634517935135
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.2190565454174904
ClC([N+](=O)[O-])(Cl)Cl,2.2158393487780885
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,2.1661965219008414
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,2.1625567716931373
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.1597809534601558
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,2.1476664224397912
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.1471176164896835
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,2.137081876700897
CCNc1nc(Cl)nc(n1)NC(C)(C)C,2.130733068630403
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,2.1221450940410347
N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,2.0938643699223247
CN(C(=S)S[Zn]SC(=S)N(C)C)C,2.087517551170895
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,2.085477026124033
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,2.076476215866559
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,2.0701418925937802
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,2.0663406481945277
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,2.0392344018800066
CCCN(C(=O)SCc1ccccc1)CCC,2.03861687869583
COCN(c1c(CC)cccc1CC)C(=O)CCl,2.033046777818888
CON(C(=O)Nc1ccc(cc1)Cl)C,2.0307005985741227
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,2.0251706470154947
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,2.0223586898833017
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,2.016567677914724
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,2.0049706079134992
N#C/N=C\1/SCCN1Cc1ccc(nc1)Cl,2.0047071116780755
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C,2.004066604522654
CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F,2.003948257998995
OCC(CCl)O,2.002124545188498
CCCSP(=O)(SCCC)OCC,1.997013659143215
COP(=O)(OC=C(Cl)Cl)OC,1.98263271644647
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,1.9817989775037086
CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1,1.9724057881737742
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,1.971062922929322
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.9700888950875557
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,1.9637704559137055
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,1.948307358201963
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,1.9432475594325607
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.910554141726166
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,1.9062282185012702
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1.8994226972104038
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,1.896880746454286
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=C(C)C1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC,1.895001050700366
CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C,1.890691494753251
COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1,1.8865580460346785
COP(=O)(NC(=O)C)SC,1.8648991662342804
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.8635648295416174
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,1.863247733673337
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,1.8563607647254567
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,1.8510890068906436
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.850596120491417
CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,1.846185135655471
CON(C(=O)Nc1ccc(cc1)Br)C,1.8429362996173768
CCNc1nc(NC(C)C)nc(n1)Cl,1.8424525744221922
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,1.8330669051288462
N#CC(c1ccc(cc1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,1.8250684064715574
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,1.820333331309502
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.8192148650265614
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,1.8155357106530094
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,1.8152234217491505
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,1.8074883004964988
c1cc[n+]2c(c1)c1cccc[n+]1CC2,1.8014803697588322
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,1.7998885403761986
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,1.7930123052435918
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,1.7915317697343827
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,1.7843888703871507
CCN(C(=O)SCc1ccc(cc1)Cl)CC,1.777777917639287
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.7666484723467257
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.764850463526756
CC(NC(=S)[S])CNC(=S)S[Zn],1.7630850363724944
CC(NC(=S)[S])CNC(=S)S[Zn],1.7630850363724944
COCC(N(c1c(C)csc1C)C(=O)CCl)C,1.7416261510318811
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.7400479400777458
N#Cc1c(Cl)cccc1Cl,1.7304170139333868
CNC(=O)ON=C(C(=O)N(C)C)SC,1.718739312944987
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,1.7106563548813654
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,1.706328134457621
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.6960699357246314
CCOc1snc(n1)C(Cl)(Cl)Cl,1.6946486305533763
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,1.6936178678498022
c1cc[n+]2c(c1)c1cccc[n+]1CC2,1.6743201731565742
CN1CN(C)CSC1=S,1.6539601434301947
CNC(=O)ON=C(C(=O)N(C)C)SC,1.6507613373118732
CNC(=O)Oc1cccc2c1OC(C2)(C)C,1.6459107778477526
OC(=O)COc1ccc(cc1Cl)Cl,1.6454882002557272
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,1.6420651529995463
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,1.6343809977454966
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,1.6306542448653294
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,1.6278800180616648
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.6004820295651263
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,1.6004820295651263
OC(=O)C(Oc1ccc(cc1C)Cl)C,1.5913530743442346
Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O,1.5913361259361893
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,1.5738792912533845
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,1.5719462386203693
O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F,1.5695540488911521
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,1.56812182123316
Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C,1.5590909179347823
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,1.5534473004973242
OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,1.550259406220714
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.549581519063189
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.5493198912379038
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,1.5447895722241949
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)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,1.539447927138442
N#Cc1cc(Br)c(c(c1)Br)O,1.5392524581558031
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,1.5359130396208096
C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,1.5351529104366932
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,1.5344387080305875
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,1.530737774822598
CC(N1/C(=N/C(C)(C)C)/SCN(C1=O)c1ccccc1)C,1.5306788154847526
Nc1n[nH]cn1,1.5267466629082658
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,1.521087361070694
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,1.5196049539832321
CN(C(=S)SSC(=S)N(C)C)C,1.5176696240691985
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],1.5156004979460933
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,1.5033332211199513
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,1.4988448473794327
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,1.4934002719580364
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,1.4927514860812132
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,1.4915914964033394
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F,1.4860902121726176
CN1CN(C)CSC1=S,1.4859838195993507
FC(=C(F)F)CCS(=O)(=O)c1ncc(s1)Cl,1.4826589214770083
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,1.4704028387745753
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,1.4703900101310987
CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C,1.4674749278877894
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,1.4649211813101468
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl,1.458183705956146
O=C(C1=C(C)OCCS1)Nc1ccccc1,1.4578096795663429
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C,1.4462747066967268
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,1.4395553268068126
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,1.4341521813264824
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,1.4329265583997897
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,1.4266525603430633
Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl,1.4216129602890024
CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C,1.4183119750954112
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,1.3989182722159768
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.398504958795708
CNC(=S)S,1.3967148564744987
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,1.3934036908207148
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1cncc1,1.3926307718235211
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,1.3876506550542822
CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.384376054498974
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,1.3811468505131965
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,1.3766679947209994
CN(C(=S)S[Zn]SC(=S)N(C)C)C,1.371508895032877
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,1.370111513834565
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1.369877357140688
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.3685663781727047
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,1.367370643858509
S=C1NCCCN1,1.3661781926983205
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,1.3650393299393615
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,1.3639034458432429
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.354479485094126
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,1.3533904493269542
[S-]C(=S)NCCNC(=S)[S-].[Zn+2],1.3505969838253369
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,1.3428771906003532
CCNc1nc(NC(C)C)nc(n1)Cl,1.3338191028424158
C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.322183249787766
S=C1NCCCN1,1.3169619721135797
CCC(C(=O)NCc1ccccc1)Oc1ccc(c(c1)C(F)(F)F)F,1.302657301989526
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,1.3025526926274749
CN(C(=S)SSC(=S)N(C)C)C,1.3018124301338776
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,1.2984147471171126
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2969236723843232
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,1.2941362877160807
CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC,1.2908912329029336
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,1.287190413172402
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,1.286820378541783
COCN(c1c(CC)cccc1CC)C(=O)CCl,1.2848577466043891
CNC(=O)Oc1cccc(c1)/N=C/N(C)C,1.2841971462426878
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,1.2798406965940432
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,1.2770454101830115
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,1.2735988378970775
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,1.2728492955894033
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,1.2716218656999372
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,1.2602062139183252
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,1.2580215857840296
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,1.2578957329638771
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,1.2544489954403404
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,1.2525804230510118
COc1nc(nc(n1)C)NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na+],1.2508978152709322
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,1.2493219317505007
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,1.2436073474297324
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.2435160355573907
CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl,1.2405588028663024
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,1.2331337601252212
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,1.2267915364902278
Nc1n[nH]cn1,1.2257239703002716
NC#N,1.2257239703002716
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.225205758260884
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.225205758260884
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,1.225205758260884
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,1.2211327542550814
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,1.2182589824272165
CSc1nnc(c(=O)n1N)C(C)(C)C,1.2170546392276442
C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,1.212185432936977
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,1.2068664410308745
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,1.2066217621691122
Clc1cc(F)c(cc1C(=O)NS(=O)(=O)N(C(C)C)C)n1c(=O)cc(n(c1=O)C)C(F)(F)F,1.2027809477033562
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,1.198143706994319
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,1.1964063352286556
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,1.1945535170115598
O=C(NS(=O)(=O)c1c(C)cccc1C(=O)O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,1.1940711751182476
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.1921944677293754
O=C(N(C)C)Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C,1.187507779053734
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,1.1865991709300072
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,1.1840107302272953
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,1.182467683028378
CSc1nnc(c(=O)n1N)C(C)(C)C,1.1726371897097654
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,1.1692125122974353
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.16083631708535
CCO/N=C(/C1=C(O)CC(CC1=O)c1c(C)cc(cc1C)C)\CC,1.1560388165278184
CO/N=C(/c1ccccc1COc1cc(C)ccc1C)\C(=O)NC,1.1520080543334354
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,1.1443173332617613
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,1.1432529892239978
CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,1.138298355243177
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,1.1310207139253916
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,1.130222820427892
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,1.1269178314119968
Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F,1.1201303088977508
N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C,1.1046327112266383
NC(=N)NCCCCCCCCNC(=N)N,1.0914077611524307
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,1.086355661467734
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,1.0855457707987952
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,1.0823684740575847
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1.0792351019025128
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1.0741672736326
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,1.0653500770992892
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,1.0603909026446057
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,1.0571935794041134
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,1.0565846338083325
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,1.0482837317576947
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,1.0360328271872385
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,1.0357262236334814
NC(=O)c1c(Cl)cccc1Cl,1.0332999123599014
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,1.0323677937959128
Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O,1.031367642488918
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.0293742233117054
OC(=O)COc1ccc(cc1C)Cl,1.0236179201622833
Cc1nnc(c(=O)n1N)c1ccccc1,1.0157743222650168
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,1.0114633380715627
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,1.0021507314318752
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.9853114881276623
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.9832172875131593
CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C,0.9794315651986374
COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)/C=C/C,0.9758017677931314
S=C1NCCNC(=S)S[Mn+2]S1,0.9643301653483193
CCNc1nc(NC(C)C)nc(n1)Cl,0.9609032895585495
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.9574638632778565
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.9526861841846117
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,0.9364039667089409
CBr,0.9360664758369617
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.9308130748480904
CNC(=O)O/N=C(\SC)/C,0.9267583523880014
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.9259885539910551
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.9204208330298691
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.9056337016638656
c1coc(c1)c1nc2c([nH]1)cccc2,0.9035418882825467
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.9022916194183701
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.9015293343493707
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.8935371162038789
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.8887374863409347
[O-][N+](=O)/N=C(\NC)/NCc1cnc(s1)Cl,0.8854890951511256
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.8622662052462875
Cc1cccc2c1n1cnnc1s2,0.8620448764676394
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.8617920673318369
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.8600894441243174
CC(OC(=O)Nc1cccc(c1)Cl)C,0.8526019606523453
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)C,0.8409745087750948
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,0.8379137597591453
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.835290336460121
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.8340734503909036
c1ccc(cc1)Nc1ccccc1,0.8305313021730596
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.8244012204816238
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.8226655444942998
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.8156209193414036
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.8102570997584302
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.8088844776196935
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.8012879425395989
CC(OC(=O)Nc1ccccc1)C,0.7909678031634652
C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C,0.780075086811172
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.7722932179393288
Cc1ccc(c2c1cccc2)C,0.7623808700538108
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.7618534935689649
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.7562924133382095
CCCCCCC(c1cc(cc(c1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-])C,0.7554012986711326
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.7542899704547085
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.7526160071097443
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.747924056200199
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.7471227074362395
CBr,0.7470014198431081
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.7443416268287478
CC1=NNC(=O)N(C1)/N=C/c1cccnc1,0.742513420926119
N#CCNC(=O)c1cnccc1C(F)(F)F,0.7157046517694734
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.7103218791002677
c1scc(n1)c1nc2c([nH]1)cccc2,0.7016710119265048
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.6942188487450178
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.6897954111019945
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.6781324193692118
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.6595558851598816
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.6536665888044787
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.653607901682671
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.6466801557572905
CNC(=O)Oc1ccccc1OC(C)C,0.6394065864347511
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.6384421385594775
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.6365196444403993
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.6330356796840821
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.6303018610501191
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.6238064131157152
Cl/C=C/CO/N=C(\C1=C(O)CC(CC1=O)CC(SCC)C)/CC,0.6216929651431873
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.6194450778457865
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.6055658314011255
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.6026162443427237
CC1OC(C)OC(OC(O1)C)C,0.6025814576486522
[S]C(=S)NCCNC(=S)S[Mn],0.597669823868334
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.5921334169692242
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.5864152712755908
Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl,0.585645126657133
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.5701024413128524
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.5674957011389724
OCC(CCl)O,0.5663901566762818
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.5555960442504486
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.5521445556544645
OC(=O)COc1ccc(cc1Cl)Cl,0.5520671344078197
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.5520361697732551
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.5406527536056628
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.5294866078313349
CNC(=O)Oc1cccc2c1cccc2,0.5240819585605319
CN(C(=S)[S-])C.CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Fe+3],0.5227050622218726
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.5180846348916255
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.5178413045887236
NC1CC(N=C(C(=O)O)N)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C,0.5145909236774223
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.5057897307706736
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.5041366495179556
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.49291359170948634
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.48674243602099465
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.4795033665674557
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.4779733071886505
OC(=O)CSc1cc(/N=c/2\sc(=O)n3n2CCCC3)c(cc1Cl)F,0.4769562541646596
OC(=O)COc1ccc(cc1Cl)Cl,0.46940334082401963
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.4352511081869822
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.4343882750979413
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.4343292396214822
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.4335389375093063
Cc1nnc(c(=O)n1N)c1ccccc1,0.4330678000342624
O=C(Nc1ccnc(c1)Cl)Nc1ccccc1,0.4254131908061819
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.41106754767681414
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.40399702961561096
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.4039750104769187
N#Cc1ccc(cc1)C/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/c1ccc(cc1)C(F)(F)F,0.40346887816639565
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.3954067884187704
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.3796661101133605
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.36853593732630685
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.3649286265357719
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.363652544891169
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.3555318676947022
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3506456666356317
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.34169281115210776
CSC(=O)c1cccc2c1snn2,0.33646868040700656
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.3306180266382941
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.3273757636235727
ClCC[N+](C)(C)C.[Cl-],0.32378208897472166
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.32109939155527684
CC1OC(C)CN(C1)C1CCCCCCCCCCC1,0.3159000388714622
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.30713546264273256
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.2978797847408851
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.29576366269121235
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.29576366269121235
N#Cc1c[nH]cc1c1cccc(c1Cl)Cl,0.2957207588154646
CCCOC(=O)NCCCN(C)C.Cl,0.29475225982109493
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.29099307039793554
CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C,0.28374617410396336
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.27691392283721084
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.2746274885785479
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.26235420943811166
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.26170314076675805
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.2478132149114476
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.22228326139037405
COCCN(c1c(C)cccc1C)C(=O)CCl,0.21190236661970266
O=Cc1ccco1,0.2045023300575414
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.19703481698704578
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.19339272766191082
CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.18420980481719604
CCCOC(=O)NCCCN(C)C.Cl,0.17556824925514547
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.15197107789074285
CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC,0.1213920435061682
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.10815045306512698
Clc1ccc(c(n1)C(=O)O)Cl,0.10720996964786836
Clc1ccc(c(n1)C(=O)O)Cl,0.10720996964786836
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.10690988899790645
ClCC[N+](C)(C)C.[Cl-],0.10193883123023993
COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,0.0940800532173745
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.0840200858597756
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.08181233864107436
ClCC[N+](C)(C)C.[Cl-],0.0653096935781494
ClCCP(=O)(O)O,0.042579494938849424
Nc1nc(NC2CC2)nc(n1)N,0.027463929127743564
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.014905998457995392
Oc1noc(c1)C,0.0003866941933463142
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,-0.015108160645837197
Cc1cc(C)nc(n1)Nc1ccccc1,-0.04497070529276922
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,-0.04743064015554219
Oc1ccccc1c1ccccc1,-0.07003786660775509
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,-0.07114529045108281
CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC.[Na+],-0.07532793416325864
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-0.07802158052038617
OC(=O)Cc1cccc2c1cccc2,-0.0812392609116973
OC(=O)C(CCP(=O)(O)C)N,-0.10167835102796928
COC(=O)Nc1nc2c([nH]1)cccc2,-0.11647491190833141
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,-0.12749354475678243
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,-0.143545627238422
O=C(Nc1cc(F)cc(c1)F)N/N=C(/c1ncccc1C(=O)O)\C,-0.14983469671578495
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,-0.1558216897179667
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.20016624636310748
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,-0.20574554094266215
CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl,-0.2269863455252203
O/C(=C\1/C(=O)CC(CC1=O)C(=O)O)/C1CC1,-0.24373236455264888
OC(=O)CNCP(=O)(O)O,-0.24905152880508483
C[N+]1(C)CCCCC1.[Cl-],-0.25302283361133676
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-0.25650126621131825
CCC(=O)C1=C([O-])CC(CC1=O)C(=O)[O-].[Ca+2],-0.2727695865517595
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,-0.2923668466362255
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,-0.33817749929653595
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,-0.3621619134969115
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-0.38024743141054806
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C,-0.39915433395821653
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1OC(F)(F)F,-0.40196888769519956
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,-0.4402319362267889
CN(NC(=O)CCC(=O)O)C,-0.48205851709131187
CCCOC(=O)NCCCN(C)C.Cl,-0.4821300753920296
Oc1ccccc1c1ccccc1,-0.4941128329258674
OC(=O)CNCP(=O)(O)O,-0.5201165528332334
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,-0.5235904048292048
[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC.[Al+3],-0.5664846315071651
Oc1ccc(nn1)O,-0.6494127520818966
C[N+]1(C)CCCCC1.[Cl-],-0.6599447086187201
Clc1cc(N)c(c(n1)C(=O)O)Cl,-0.6840010770259624
CNC(=N[N](=O)[O])NCC1COCC1,-0.6902669794624975
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,-0.7065214948994436
OC(=O)CNCP(=O)(O)O,-0.745051357794347
Oc1ccccc1c1ccccc1,-0.7690226551851297
OC(=O)CNCP(=O)(O)O,-0.8561425898722091