smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
O=C1NC23C4C5C6C4C2(N1)C6C53 | 0 |
CN(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)(C)C | 0 |
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)C | 0 |
CN(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)(C)C | 0 |
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)C | 0 |
COC(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(I)C5C42I)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42C#N)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5(C(=O)O)C(C1C35I)C42C(=O)O)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42I)C(C)C | 0 |
COC(=O)C12C3C4C5C3(C#N)C1C5(C(=O)OC)C42C(=O)N(C(C)C)C(C)C | 0 |
CN(C(=O)C12C3C4C5C3C1(C(=O)C13C6C7C8C6C1C8C73)C5C42)C(C)(C)C | 0 |
CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)C | 0 |
CN(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5C3C1(C#N)C5C42)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5C42)C(C)C | 0 |
CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5(C#N)C42)C(C)C | 0 |
COC(=O)C12C3C4C1C1C2C3C41C(=O)OC(C)(C)C | 0 |
CC(C)N(C(=O)C12C3C4C1C1C2C3C41C#N)C(C)C | 0 |
COC(=O)C12C3C4C5(C(=O)OC)C(C1C35C(=O)N(C(C)C)C(C)C)C42C(=O)N(C(C)C)C(C)C | 0 |
CC(C)N(C(=O)c1cccc(C(=O)N(C(C)C)C(C)C)c1)C(C)C | 0 |
CC(C)N(C(=O)C1(C)CC1)C(C)C | 0 |
COC1(OC)CCC2C1C1CCC(OC)(OC)C21 | 0 |
O=C1C(Br)=CC2C3C=CC(Br)(C3=O)C12 | 0 |
CC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C | 0 |
CCC(=O)OC1C(C)CC2(OC(C)=O)C1C(OC(C)=O)C13COC(C)(C2OC(C)=O)C1C1C(CC1(C)OC(C)=O)C(OC(=O)c1ccccc1)C3=O | 0 |
NC(=O)C12C3C4C1C1C2C3C41C(N)=O | 0 |
O=C(NO)C12C3C4C1C1C2C3C41C(=O)NO | 0 |
CC(C)c1cccc(C(C)C)c1NC1=CC(=O)C(=O)c2ccccc21 | 0 |
CCCCCCN(CCCCCC)C1=CC(=O)C(=O)c2ccccc21.Cl | 0 |
COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)nc1CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 | 0 |
CCc1cccc(C)c1NC(=S)NC(=O)c1ccccc1C(=O)NC(=S)Nc1c(C)cccc1CC | 0 |
CCOc1ccc(NC(=O)C(=O)NO)cc1 | 0 |
O=C(NO)C(=O)Nc1cc(Cl)ccc1Cl | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C)s1 | 0 |
O=C(NO)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] | 0 |
COc1ccc(NC(=O)C(=O)NO)c(OC)c1 | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)s1 | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1 | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccccc2C#N)s1 | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)(C)C)s1 | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 | 0 |
NN=C(C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] | 0 |
CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2cccc(C(C)=O)c2)s1 | 0 |
CNN=C(C(=O)Nc1ccc(C)c(C)c1)C(C(=O)OC)c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
NS(=O)(=O)C1CCCCC1C(=O)NNC(=O)C(=O)Nc1n[nH]c(=S)[nH]1 | 0 |
N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1cccc(O)c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1ccc(F)cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
CCOc1ccc(NC(=O)C(=O)CC(=O)c2sc(NNC(C)=O)nc2C)cc1 | 0 |
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
Cc1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1Cl | 0 |
CC(=O)c1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1 | 0 |
CC(=O)C(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1csc(=N)[nH]1 | 0 |
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
Cc1ccc(C)c(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c1 | 0 |
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)C2C=CC=CC21 | 0 |
COc1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1 | 0 |
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
CCOc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccccc3F)C3OC(=O)c4ccccc43)sc2c1 | 0 |
COc1ccc(OC)c(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1 | 0 |
COc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc(Br)cc1)c1nc2ccc(Cl)cc2nc1O | 0 |
CCOc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccccc3-c3ccccc3)C3OC(=O)c4ccccc43)sc2c1 | 0 |
Cc1nc(Nc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)sc1C(=O)CC(=O)Cc1nc2ccc(Cl)cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(Cl)cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nc2ccc(Cl)cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1cccc(O)c1)c1nc2ccc(Cl)cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc(N)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O | 0 |
O=C(Nc1ccc(Cl)cc1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 | 0 |
COc1ccc(OC)c(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3nc2O)c1 | 0 |
COc1cccc(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3nc2O)c1 | 0 |
CC(=O)c1ccc(NC(=O)C(=NNC(N)=O)C(C#N)CC(C)(C)C=O)cc1 | 0 |
COC(=O)C(=O)C(C(C)=O)C(=O)C(=O)Nc1ccc(C)cc1C | 0 |
N=c1[nH]c2c(ncn2C2CCC(CO)O2)c(=O)n1C(=O)c1ccccc1 | 1 |
O=c1ccn(C2CSCC(CO)C2)c(=O)[nH]1 | 0 |
O=c1ccn(C2CC(CO)CS(=O)C2)c(=O)[nH]1 | 0 |
O=c1ccn(C2CC(O)C(CO)C2)c(=O)[nH]1 | 0 |
O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1I | 0 |
O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1C=CBr | 0 |
[N-]=[N+]=NC1CC(n2cc(C=CBr)c(=O)[nH]c2=O)CC1CO | 0 |
COC1=CC(=O)C(O)=C(CC2(C)C(C)CC=C3C2CCCC3(C)C)C1=O | 0 |
Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3C(C#N)CC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O | 1 |
CCCCCCCCCCCCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N | 0 |
CCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 | 0 |
CCCCCCCCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 | 0 |
CCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N | 0 |
CCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N | 0 |
CCCCCC=C(c1cc(Cl)c(OC)c(C(N)=O)c1)c1cc(Cl)c(OC)c(C(N)=O)c1 | 1 |
O=C([O-])c1ccc2c(c1)C1=NC3=c4ccc(C(=O)[O-])cc4=C4N=C5c6cc(C(=O)[O-])ccc6C6=[N+]5[Fe-2]5([N+]1=C2N=C1c2cc(C(=O)[O-])ccc2C(=N6)[NH+]15)[NH+]34 | 0 |
NC(=O)c1ccc2c(c1)C1=NC3=c4ccc(C(N)=O)cc4=C4N=C5c6ccc(C(N)=O)cc6C6=[N+]5[Co-2]5([N+]1=C2N=C1c2cc(C(N)=O)ccc2C(=N6)[NH+]15)[NH+]34 | 0 |
O=S(O)(=[OH+])c1ccc2c(c1)C1=NC3=c4ccc(S(=O)(O)=[OH+])cc4=C4N=C5c6cc(S(=O)(O)=[OH+])ccc6C6=[N+]5[Cu-3]5([N+]1=C2N=C1c2cc(S(=O)(O)=[OH+])ccc2C(=N6)[NH+]15)[NH+]34.[Na+] | 0 |
O=Cc1c(O)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc2ccccc12 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.