smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1 | 0 |
CCNC(=S)NN=C(C)c1cccc(C(C)=NNC(=S)NCC)n1 | 0 |
CC(=NNC(=S)N1CCCC1)c1cccc(C(C)=NNC(=S)N2CCCC2)n1 | 0 |
CC(=NNC(=S)N1CCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCC2)n1 | 0 |
CC(=NNC(=S)N1CCCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCCC2)n1 | 0 |
CCN(CC)C(=S)NN=C(C)c1cccc(C(C)=NNC(=S)N(CC)CC)n1 | 0 |
Cl.N=c1c2ccccc2nc2oc3ccccc3n12 | 0 |
COC(=O)C=C(C=C1C(C#N)=C(N)N(c2ccc(Cl)cc2)C1(C)C(=CC(=O)OC)C(=O)OC)C(=O)OC | 0 |
CC(=O)c1sc(=N)n(-c2c(C)cccc2C)c1C | 0 |
O=C1NC2(CCCCC2)N=C2C(Cl)CCCC12Cl | 0 |
CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N | 0 |
O=C1NN=C(c2ccc(Cl)cc2)CC1C1C(=O)N(c2ccccc2)N=C1c1ccccc1 | 0 |
COc1ccc(Cc2c(-c3ccc(C)cc3)nnc(O)c2C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 | 0 |
CSC(=O)c1sc(SC)[n+](-c2ccccc2)c1O | 0 |
CC(C)=NOC(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | 0 |
COC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)OC | 0 |
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 | 0 |
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 | 0 |
COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(CN2CCOCC2)c1O.Cl | 0 |
CC=C1CNC1C(=O)O | 0 |
CC(C)(C)OC(=O)C1C(=CCO)CN1C(=O)OC(C)(C)C | 0 |
CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C | 0 |
CC=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C | 0 |
CCSC(=O)C=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C | 0 |
O=CC(=C(I)I)c1ccccc1 | 0 |
O=C(C(=C(I)I)c1ccccc1)c1ccccc1 | 0 |
CC(C)=CCN1CCCn2c(=S)[nH]c3cccc(c32)C1=O | 0 |
CCCNC(=O)Cn1c2c(c3ccccc31)CCCC2 | 0 |
CC(C)CNC(=O)Cn1c2c(c3ccccc31)CCCC2 | 0 |
CCN(CC)C(=O)Cn1c2c(c3ccccc31)CCCC2 | 0 |
O=C(Cn1c2c(c3ccccc31)CCCC2)NC1CCCCC1 | 0 |
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCC1 | 0 |
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCCC1 | 0 |
O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCOCC1 | 0 |
c1ccc(N=C2c3ccsc3C(=Nc3ccccc3)c3ccsc32)cc1 | 0 |
O=c1c(-c2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)c(-c2ccccc2)oc2ccc(Cl)cc12 | 0 |
O=c1cc(-c2ccccc2)oc2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc12 | 0 |
O=c1cc(-c2ccccc2)oc2c(-c3cc(Cl)cc4c(=O)cc(-c5ccccc5)oc34)cc(Cl)cc12 | 0 |
Cc1ccc(O)c(-c2cscn2)c1 | 0 |
Cc1cc(Br)c(O)c(-c2cscn2)c1 | 0 |
Cc1cc(-c2cscn2)c(O)c([N+](=O)[O-])c1 | 0 |
O=C(C=Cc1ccccc1)c1cc(C(=O)C=Cc2ccccc2)c(O)cc1O | 0 |
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1.Cl | 0 |
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1 | 0 |
CC(C)(N=NC(C)(C)C(=O)NCCO)C(=O)NCCO | 0 |
CC(C)(N=NC(C)(C)C(=N)N)C(=N)N.Cl | 0 |
COC(=O)C=C(C(=O)OC)c1c(C)c(C)c2c(C)cc(C)cc(C)c1-2 | 0 |
COC(=O)C=C(C(=O)OC)c1cc(C)c2cc(C(C)C)ccc(C)c1-2 | 0 |
CC(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C | 0 |
CCOC(=O)CCC(NC(=O)C(CCC(=O)OCC)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(C)=O)C(=O)NNC(=O)OC(C)(C)C | 0 |
CCOC(=O)CCC(NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCC)C(=O)OCC | 0 |
CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)NCCCO | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NNC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C | 0 |
O=C(CNC(=O)OCc1ccccc1)NCCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 | 0 |
NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)O | 0 |
NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O | 0 |
CC(C)(C)OC(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)O | 1 |
CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OCC)C(=O)OCC | 0 |
CCOC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1 | 0 |
CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OCC)C(=O)OCC | 0 |
CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC | 0 |
CCOC(=O)CC(NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)OCC | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)OCC | 0 |
O=C(CNC(=O)OCc1ccccc1)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O | 0 |
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)O | 0 |
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O | 0 |
COC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC | 0 |
CCOC(=O)CCC(NC(=O)CNC(=O)CNC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC | 0 |
Cl.NNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 | 0 |
COC(=O)NC(Cc1ccccc1)NC(=O)OC(C)(C)C | 0 |
COC(=O)NC(=O)NC(Cc1ccccc1)NC(=O)OCc1ccccc1 | 0 |
CC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C | 0 |
O=C(CC(NC(=O)C(F)(F)F)C(=O)O)OCc1ccccc1 | 0 |
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 | 0 |
CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(N)=O | 0 |
COC(=O)C1CCCN1C(=O)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)NC(=O)OC(C)(C)C | 0 |
COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | 0 |
Cc1ccc(S(=O)(=O)n2cnc(CC(NC(=O)C3CCC(=O)N3C(=O)OCc3ccccc3)C(=O)N3CCCC3C(=O)NN)c2)cc1 | 0 |
CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NN.Cl | 0 |
CCOC(=O)CCC(NC(=O)C(N)c1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC.Cl | 0 |
F.NC(CC(=O)O)C(=O)NC1Cc2ccccc2C1=O | 0 |
CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1Br | 0 |
CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1B(c1ccccc1)c1ccccc1 | 0 |
CC(=O)N(C(C)=O)n1c(Cc2ccc(Cl)cc2)nn(C(C)=O)c1=O | 0 |
CN(C)CCNc1c([N+](=O)[O-])sc2ccc(Cl)cc12 | 0 |
O=[N+]([O-])c1sc2ccc(Cl)cc2c1Nc1ccc(Cl)cc1 | 0 |
c1ccc2c(c1)ncn2CCn1ccnc1 | 0 |
CCOC(=O)Nc1ccc2c(c1)c(CCCCCCc1nc3ccccc3c3ccc(NC(=O)OCC)cc13)nc1ccccc12 | 0 |
CC(=O)N1N(c2ccc([N+](=O)[O-])cc2)C(=O)C1(C)C | 0 |
CC(=NNC(=S)Nc1ccccc1)c1cccc(C(C)=NNC(=S)Nc2ccccc2)n1 | 0 |
CC(=NNC(=S)Nc1ccc(Cl)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(Cl)cc2)n1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.