smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
O=C1CC(c2ccco2)C2(C(=O)NC(=O)NC2=O)C(c2ccco2)C1 | 0 |
Nc1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3 | 0 |
Nc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1 | 0 |
N=C1NCC(CN2CCOCC2)O1 | 0 |
N=C1NCC(CN2CCCC2)O1 | 0 |
Cc1cn2c(C)csc2c1P(=O)(OC(C)C)OC(C)C | 0 |
Cc1csc2c(P(=O)(OC(C)C)OC(C)C)c(-c3ccccc3)cn12 | 0 |
Clc1cc(OCC23CC4CC(CC(C4)C2)C3)nc(OCC23CC4CC(CC(C4)C2)C3)n1 | 0 |
Oc1cc(CNC2CC3CCC2C3)nc(O)n1 | 0 |
Oc1cc(CNC2CCCC2)nc(O)n1 | 0 |
O=C(Cn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 | 0 |
O=C(Nn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 | 0 |
Clc1cc(OC23CC4CC(CC(C4)C2)C3)nc(Cl)n1 | 0 |
Clc1cc(OC2C3CC4CC(C3)CC2C4)nc(Cl)n1 | 0 |
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl | 0 |
Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl | 0 |
O=S(=O)(Nc1ccccc1)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc2[nH]3)cc1 | 0 |
COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc2[nH]3)cc1 | 0 |
CN(Cc1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc2[nH]3)cc1 | 0 |
CCOS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc2[nH]3)cc1 | 0 |
COC(=O)CNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc2[nH]3)cc1 | 0 |
CC1(C)C2CC1C(Cc1ccc(CC3c4cc(-c5ccccn5)ncc4C4CC3C4(C)C)cc1)c1cc(-c3ccccn3)ncc12 | 0 |
CC1(C)C2CC1C(Cc1cccc(CC3c4cc(-c5ccccn5)ncc4C4CC3C4(C)C)c1)c1cc(-c3ccccn3)ncc12 | 0 |
CC1(C)C2CC1C(Cc1ccccc1CC1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12 | 0 |
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[Cl-] | 0 |
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C12 | 0 |
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C12 | 0 |
CCc1n[nH]c(=O)n1NC(=O)CCCC(=O)O | 0 |
CCc1n[nH]c(=O)n1N1C(=O)C2CC=CCC2C1=O | 0 |
O=C1C2CC=CCC2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O | 0 |
O=C1C2CC=CCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O | 0 |
O=C1C2CCCCC2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O | 0 |
O=C1C2CCCCC2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O | 0 |
O=C1C2CCCCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O | 0 |
CCc1n[nH]c(=O)n1CCCCCCCCn1c(CC)n[nH]c1=O | 0 |
CCc1n[nH]c(=O)n1CCCCCCCCCCCCn1c(CC)n[nH]c1=O | 0 |
O=c1[nH]nc(-c2ccccc2)n1-n1cnnc1 | 0 |
CNn1c(-c2ccc(C)cc2)n[nH]c1=O | 1 |
CCOC(=O)Nn1cnnc1C | 0 |
CCOC(=O)Nn1cnnc1Cc1ccccc1 | 0 |
CCOC(=O)Nn1c(C)nnc1-c1ccccc1 | 0 |
CC1=CC(=O)N(n2c(C)n[nH]c2=O)C1=O | 0 |
CC1=CC(=O)N(n2c(Cc3ccccc3)n[nH]c2=O)C1=O | 0 |
CC1=CC(=O)N(n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)C1=O | 0 |
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1O | 0 |
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1Cl | 0 |
O=c1[nH]nc(Cc2ccccc2)n1N=Cc1c(O)ccc2ccccc12 | 1 |
CCNc1ccc(-c2ccccc2)nc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 | 0 |
COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1 | 0 |
c1ccc2c(c1)CC1COc3ccccc3C1O2 | 0 |
COc1ccc2c(c1)C1Oc3ccccc3CC1CO2 | 0 |
COc1ccc2c(c1)OCC1Cc3ccccc3OC21 | 0 |
COc1cccc2c1OCC1Cc3ccccc3OC21 | 0 |
COc1cccc2c1OC1c3ccccc3OCC1C2 | 0 |
COc1ccc2c(c1)OCC1Cc3cccc(OC)c3OC21 | 0 |
COc1ccc2c(c1)CC1COc3cc(OC)ccc3C1O2 | 0 |
CC(C)Oc1ccc2c(c1)OCC1Cc3ccccc3OC21 | 0 |
Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 | 0 |
O=C(CN1CCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 | 0 |
O=C(CN1CCCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 | 0 |
O=C(CN1CCOCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 | 0 |
COc1ccc2c(c1)OCC1Cc3cc4c(cc3OC21)OCO4 | 0 |
OC12COc3ccccc3C1Oc1ccccc1C2 | 0 |
COc1cccc2c1OC1c3ccccc3OCC1(O)C2 | 0 |
COc1ccc2c(c1)OCC1(O)Cc3ccccc3OC21 | 0 |
COc1ccc2c(c1)C1Oc3ccccc3CC1(O)CO2 | 0 |
COc1ccc2c(c1)CC1(O)COc3cc(OC)ccc3C1O2 | 0 |
c1ccc2c(c1)CC1=C(O2)c2ccccc2OC1 | 0 |
COc1ccc2c(c1)OCC1=C2Oc2ccccc2C1 | 0 |
COc1ccc2c(c1)CC1=C(O2)c2ccc(OC)cc2OC1 | 0 |
Brc1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1 | 0 |
O=[N+]([O-])c1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1 | 0 |
O=c1c2c(oc3ccccc13)-c1ccccc1OC2 | 0 |
COc1ccc2c(c1)-c1oc3ccccc3c(=O)c1CO2 | 0 |
COc1ccc2c(c1)OCc1c-2oc2ccccc2c1=O | 0 |
CCCCNC(=S)Nc1nc(C(=O)NNS(=O)(=O)c2ccccc2)cs1 | 0 |
CCCCNC(=S)Nc1nc(C(=O)NNC(=O)c2ccccc2)cs1 | 0 |
O=C(NNS(=O)(=O)c1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 | 1 |
O=C(NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1)c1ccccc1 | 0 |
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCC)cs1 | 0 |
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NC2CCCCC2)cs1 | 0 |
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCc2ccccc2)cs1 | 0 |
CCCCNC(=S)Nc1nc(C(=O)NNC(=S)Nc2ccccc2)cs1 | 1 |
CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1 | 0 |
O=C(NNC(=S)NC1CCCCC1)c1csc(NC(=S)NC2CCCCC2)n1 | 0 |
O=C(NNC(=S)NCc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 | 0 |
O=C(NNC(=S)Nc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 | 0 |
CC(C)(C)OC(=O)C1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21 | 0 |
COC12CCCN1c1ccn(Cc3ccccc3)c(=O)c1C2=O | 0 |
O=C(C=CC(=O)N1CCCC1)N1CCCC1 | 0 |
CC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(C)=O)c(C(=O)O)c2)cc1C(=O)O.[NaH] | 1 |
CCCC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)CCC)c(C(=O)O)c2)cc1C(=O)O.[NaH] | 1 |
CCC1(CC=C(C)C)Oc2ccccc2-n2cccc2C1=O | 1 |
CC(=O)Oc1cc2c(cc1OC(C)=O)C1CCC3(C)C(OC(C)=O)CCC3C1CC2 | 0 |
CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=NO)CC3C1CCC2O | 0 |
CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=O)CC3C1CCC2O | 0 |
CC(=O)Oc1cc2c(cc1OCC(F)(F)F)C1CCC3(C)C(OC(C)=O)CCC3C1CC2=O | 0 |
Oc1nc(Nc2cccc(Cl)c2)nc2[nH]cnc12 | 0 |
Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2[nH]cnc12 | 0 |
Oc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.