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SMILES,LOAEL
OC(=O)COc1ccc(cc1Cl)Cl,-1.7924
OC(=O)COc1ccc(cc1Cl)Cl,-0.69897
OC(=O)COc1ccc(cc1Cl)Cl,-1.8751
CCOCN(c1c(C)cccc1CC)C(=O)CCl,-1.6767
CCOCN(c1c(C)cccc1CC)C(=O)CCl,-1.8388
CCOCN(c1c(C)cccc1CC)C(=O)CCl,-1.8254
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,-0.90309
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,-1.7924
COCN(c1c(CC)cccc1CC)C(=O)CCl,-0.39794
COCN(c1c(CC)cccc1CC)C(=O)CCl,-1.1461
COCN(c1c(CC)cccc1CC)C(=O)CCl,-2.1004
OCC(CCl)O,-1.4771
OCC(CCl)O,-0.041393
Nc1n[nH]cn1,-0.39794
Nc1n[nH]cn1,-0.69897
CCNc1nc(NC(C)C)nc(n1)Cl,-0.49136
CCNc1nc(NC(C)C)nc(n1)Cl,-1.0
CCNc1nc(NC(C)C)nc(n1)Cl,-1.3729
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,-1.0414
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,-1.3802
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,-1.2405
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,-1.0828
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,-2.0
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,-1.9912
CNC(=O)Oc1cccc2c1OC(C2)(C)C,-0.068186
CNC(=O)Oc1cccc2c1OC(C2)(C)C,-0.69897
Nc1cnn(c(=O)c1Cl)c1ccccc1,-1.7782
Nc1cnn(c(=O)c1Cl)c1ccccc1,-1.699
ClCC[N+](C)(C)C.[Cl-],-2.1335
ClCC[N+](C)(C)C.[Cl-],-2.0969
ClCC[N+](C)(C)C.[Cl-],-1.8751
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,-0.51851
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,-1.6021
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,-1.0
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,-0.77815
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,-0.0
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,-1.4472
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,-0.80618
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.2833
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.3579
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,-0.14301
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,-0.77815
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,-0.0
CCNC(=O)NC(=O)/C(=N\OC)/C#N,-1.3711
CCNC(=O)NC(=O)/C(=N\OC)/C#N,-1.4814
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.699
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,-1.8751
CN1CN(C)CSC1=S,-0.5563
CN1CN(C)CSC1=S,-0.72428
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,-0.39794
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,-0.73239
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,-1.5563
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,-1.5315
c1cc[n+]2c(c1)c1cccc[n+]1CC2,-0.46389
c1cc[n+]2c(c1)c1cccc[n+]1CC2,-0.59106
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,-0.39794
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,-0.0
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,-1.0414
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,-0.4624
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,-0.69897
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,-0.69897
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,-0.77815
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,-1.0294
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,-1.4624
CCCSP(=O)(SCCC)OCC,0.30103
CCCSP(=O)(SCCC)OCC,-0.38739
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,-0.23045
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.33724
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,-0.5563
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,-1.243
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,-0.30103
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,-0.39794
CSc1ccc(cc1C)OP(=S)(OC)OC,0.69897
CSc1ccc(cc1C)OP(=S)(OC)OC,0.14267
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,-0.59106
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,-0.58206
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,-1.8976
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,-1.5315
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,-2.3617
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,-2.3385
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,-1.2348
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,-1.4771
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,-0.99123
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,-1.6345
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,-1.0
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,-0.69897
OC(=O)CNCP(=O)(O)O,-2.9731
OC(=O)CNCP(=O)(O)O,-2.7482
OC(=O)CNCP(=O)(O)O,-2.4771
OC(=O)CNCP(=O)(O)O,-3.0842
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,-1.2014
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,-1.1761
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-2.7218
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,-2.7782
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-2.8763
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,-2.574
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,-0.79588
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,-1.4949
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-1.4624
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,-2.1553
C[N+]1(C)CCCCC1.[Cl-],-2.4281
C[N+]1(C)CCCCC1.[Cl-],-2.8351
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,-2.0821
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,-1.8513
Cc1nnc(c(=O)n1N)c1ccccc1,-1.29
Cc1nnc(c(=O)n1N)c1ccccc1,-1.8727
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,-1.9395
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,-1.2455
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,-1.1173
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,-1.1399
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.19382
COc1sc(=O)n(n1)CSP(=S)(OC)OC,-0.23553
CBr,-1.0414
CBr,-1.2304
CSc1nnc(c(=O)n1N)C(C)(C)C,-1.1139
CSc1nnc(c(=O)n1N)C(C)(C)C,-1.1584
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,-0.99564
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,-2.0253
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,-1.6772
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,-2.0
Oc1ccccc1c1ccccc1,-3.0
Oc1ccccc1c1ccccc1,-2.301
Oc1ccccc1c1ccccc1,-2.7251
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,-1.1461
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,-1.5563
CNC(=O)ON=C(C(=O)N(C)C)SC,-0.62221
CNC(=O)ON=C(C(=O)N(C)C)SC,-0.6902
C[n+]1ccc(cc1)c1cc[n+](cc1)C,-0.40654
C[n+]1ccc(cc1)c1cc[n+](cc1)C,-0.94792
C[n+]1ccc(cc1)c1cc[n+](cc1)C,-0.57403
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,-0.39794
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,-0.20412
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,-0.39794
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.25964
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.30103
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,-1.9191
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,-2.0
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,-1.3979
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,-1.699
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,-0.60206
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,-0.25527
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,-2.301
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,-2.3979
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,-1.6628
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,-2.2095
CCCOC(=O)NCCCN(C)C.Cl,-2.8338
CCCOC(=O)NCCCN(C)C.Cl,-2.1761
CCCOC(=O)NCCCN(C)C.Cl,-2.0569
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,-0.69897
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,-1.3979
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,-1.1761
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,-1.3838
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,-1.4014
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,-2.301
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,-1.7993
S=C1NCCCN1,-0.69897
S=C1NCCCN1,-0.74819
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,-1.699
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,-2.8751
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,-1.0414
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,-0.60206
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,-1.6325
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,-1.5611
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,-1.2014
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,-1.1703
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,-1.8573
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.39794
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,-1.3945
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,-2.0881
CCNc1nc(Cl)nc(n1)NC(C)(C)C,-0.093422
CCNc1nc(Cl)nc(n1)NC(C)(C)C,-0.2014
CCNc1nc(Cl)nc(n1)NC(C)(C)C,-0.23045
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,-0.69897
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,-1.0
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,-1.0792
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,-1.5051
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,-1.7243
CN(C(=S)SSC(=S)N(C)C)C,-1.0792
CN(C(=S)SSC(=S)N(C)C)C,-0.86332
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,-2.0
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,-1.9542
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,-2.0569
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,-1.3856
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,-1.1139
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,-0.9345
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,-1.4771
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,-2.6812
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,-2.0
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,-2.2041
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,-0.90309
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,-0.43136
CN(C(=S)S[Zn]SC(=S)N(C)C)C,-1.1139
CN(C(=S)S[Zn]SC(=S)N(C)C)C,-0.39794
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