smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
O=C(CC(=O)C1CCOC1=O)C(=O)Nc1ccc(Cl)cc1Cl | 0 |
CC(C)c1cccc2sc(NC(=O)C(=O)CC(=O)c3ccc(F)cc3)nc12 | 0 |
CCOC(=O)C1=C(Nc2ccc(NC3=C(C(=O)OCC)C(=O)CS3)cc2)SCC1=O | 0 |
Cc1ccc(C)c(NC(=O)C(=O)CC(=O)C2CCOC2=O)c1 | 0 |
O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 | 0 |
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)c(Cl)c3)sc2c1 | 0 |
CCOC(=O)C1=C(Nc2cccc3ccccc23)OCC1=O | 0 |
NNC(=O)NN=C1CN(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1 | 0 |
COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 | 0 |
CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1 | 0 |
CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NNC(=S)NN)C1=O | 0 |
O=C(NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1)c1ccccc1O | 0 |
CCOC(=O)C(=O)Nc1nc2c(s1)C(=O)c1ccccc1C2=O | 0 |
CCOc1ccccc1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O | 0 |
Cc1ccccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O | 0 |
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1 | 0 |
O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2o1 | 0 |
Cc1cc(Cl)ccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O | 0 |
N#CCC(=O)NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1 | 0 |
NNC(=O)NN=C1CNC(=O)C(=O)C1c1nc2ccccc2s1 | 0 |
CCOC(=O)C1=C(NC)OCC1=O | 0 |
O=C(NN=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1)c1ccccc1O | 0 |
NC(=S)NN=C1CN(c2ccc(Cl)c(Cl)c2)CC(=O)C1c1nc2ccccc2s1 | 0 |
NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1 | 0 |
Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=NNC(=O)c3ccccc3O)C2=O)c1 | 0 |
COC(=O)C(=O)Cc1nc2ccccc2s1 | 0 |
O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1 | 0 |
CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O | 0 |
Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1C | 0 |
CCOC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 | 0 |
N#CCC(=O)NN=C1C(=O)NC(=O)C(=O)C1c1nc2ccccc2s1 | 0 |
CC1CCC2(CC1)NN=c1sc(=Cc3ccc(O)cc3)c(=O)n1N2 | 0 |
COc1ccc(C=c2sc3n(c2=O)NC2(CCC(C)CC2)NN=3)cc1 | 0 |
CCC1(C)NN=c2sc(=Cc3ccc(OC)cc3)c(=O)n2N1 | 0 |
COc1ccc(C=c2sc3n(c2=O)NC(c2ccc(Cl)cc2)NN=3)cc1 | 0 |
COc1ccc(C=c2sc3n(c2=O)CCN=3)cc1 | 0 |
COc1ccc(C=c2sc3n(c2=O)NC2(CCCCC2)NN=3)cc1 | 0 |
CCN(CC)CCNC(=O)C1COc2ccc(-c3cc(=O)c4ccccc4o3)cc2O1 | 0 |
CCOC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 | 0 |
O=C(NCc1cccnc1)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 | 0 |
CN(C)CCNC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1.Cl | 0 |
CCN(CC)CCCNC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1.Cl | 0 |
O=C(NCc1ccncc1)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 | 0 |
Cl.NC1C2CN3CCC(O2)C13 | 0 |
CN(C(=O)C1CC1)C1C2CN3CCC(O2)C13 | 0 |
CCCCCCCCC(=O)N(C)C1C2CN3CCC(O2)C13 | 0 |
CN(C(=O)C=Cc1ccccc1)C1C2CN3CCC(O2)C13 | 0 |
CC(C)=CC(=O)N(C)C1C2CN3CCC(O2)C13 | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc2c1OCO2 | 0 |
NC(=S)NN=C1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1C(=O)Nc1cccc([N+](=O)[O-])c1 | 0 |
NS(=O)(=O)c1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 | 0 |
CC1=C(C(=O)Nc2ccccc2)C(c2cccc3ccccc23)C(C(=O)Nc2ccccc2)=C(C)N1 | 0 |
COCCNC(=O)C1C(=O)C(=O)N(CCOC)C1=O | 0 |
COC(=O)CCC(=O)Nc1ccc(Cl)cc1C | 0 |
Cc1cccc(C)c1NC(=O)C1C(=O)N(c2c(C)cccc2C)C(=O)C1=NN | 0 |
O=C(Nc1ccc(Cl)c(Cl)c1)C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=NO | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1C=Cc1ccccc1 | 0 |
NS(=O)(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1F | 0 |
CCOc1ccc(NC(=O)C(=Cc2ccc(C)cc2)C(C)=O)cc1 | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccco1 | 0 |
COCCCNC(=O)C1C(=O)C(=O)N(CCCOC)C1=O | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C(C)C)cc1 | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1Cl | 0 |
Cc1cc(Cl)ccc1NC(=O)C1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O | 0 |
CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(N)=C(C#N)C(=O)OCC | 0 |
CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 | 0 |
N#Cc1c(N)c(C(=O)O)nn(-c2cccc(C(F)(F)F)c2)c1=O | 0 |
O=C(Nc1ccc(Cl)cc1)C1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O | 0 |
CCOC(=O)CC(N)=C(C#N)C(=O)OCC | 0 |
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 | 0 |
CCC(=O)CC(=O)CCC(=O)Nc1cc(C)ccc1C | 0 |
Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1C | 0 |
Cc1ccc(C)c(NC(=O)CCC(=O)CC(=O)C(C)(C)C)c1 | 0 |
CCCNC(=O)C1C(=O)C(=O)N(CCC)C1=O | 0 |
NN=C1C(=O)N(C2CCCCC2)C(=O)C1C(=O)NC1CCCCC1 | 0 |
Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NN | 0 |
Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)c(C)c3)C(=O)C2=NNC(N)=O)cc1C | 0 |
COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2ccccc2)c1 | 0 |
CC(=O)C1C(=O)C(=O)N(c2ccccc2C(C)C)C1=O | 0 |
O=C(NC1CCCCCC1)C1C(=O)N(C2CCCCCC2)C(=O)C1=NO | 0 |
CC(=O)C1C(=O)C(=O)N(c2ccccc2N2C(=O)C(=O)C(C(C)=O)C2=O)C1=O | 0 |
Cc1ccccc1NC(=O)C1C(=O)N(c2ccccc2C)C(=O)C1=NN | 0 |
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 | 0 |
NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O | 0 |
O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 | 0 |
CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 | 0 |
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2nc(S)nc(O)c2[nH]1)c1ccccc1 | 0 |
COc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC | 0 |
O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 | 0 |
O=C1OC(c2ccccc2)=NC1=CC=Cc1ccco1 | 0 |
Nc1ccc(C2=NC(=Cc3cccc(N)c3)C(=O)O2)cc1 | 0 |
CC(=O)NC(=Cc1ccc(C=C(NC(C)=O)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2ccccc2[nH]1 | 0 |
O=C(NC(=Cc1ccccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 | 0 |
Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccc(Cl)cc3[nH]2)cc1 | 0 |
CCCCCCCCCCCCCC(=O)NCC(OCC)OCC | 0 |
[Cl-].c1cc[n+]2c(c1)-c1cccc[n+]1[Rh-4]213(N=c2c(c4ccccc4c4ccccc24)=N1)N=c1c(c2ccccc2c2ccccc12)=N3 | 0 |
[Cl-].c1ccc2c(c1)c1c(c3ccccc32)=N[Rh-4]23(N=1)([n+]1cccc4ccc5ccc[n+]2c5c41)[n+]1cccc2ccc4ccc[n+]3c4c21 | 0 |
COC(=O)c1cc(C(c2cc(C)c(O)c(C(=O)OC)c2)c2cc(C)c(O)c(C(=O)OC)c2)cc(C)c1O | 0 |
Cc1cc(C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O | 1 |
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