smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
Cc1cc(C)c(C(=O)C(=Cc2ccccc2)c2ccccc2)c(C)c1 | 0 |
O=c1nc(-c2ccccc2)scc1-c1ccccc1 | 0 |
Brc1ccc(N=c2nc3ccccn3n3nc(-c4ccccc4)cc23)cc1 | 0 |
[N-]=[N+]=Nc1ccccc1-[n+]1noc([O-])c1Br | 0 |
C#CCCCCCCCCCC=C1CC(O)COC1=O | 0 |
C=CCCCCCCCCCC=C1CC(O)COC1=O | 0 |
C=CCC1(C(C)C(OC(C)=O)c2cc(OC)c(OC)c(OC)c2)CC(OC)CCC1=O | 0 |
COc1cccc(OC)c1C(=O)OCc1ccccc1 | 0 |
COCC1C(=O)c2cc3c(cc2C12C=CC1(C=C2)OCCO1)OCO3 | 0 |
CC1(Cc2ccccc2)C(=O)N2C(CO)C(c3ccccc3)OC2(C)c2ccccc21 | 0 |
Cc1ccn2c(c1)nc1nc3ccccc3nc12 | 0 |
C=C1OC(=O)C(=CCCCCCCCCCCCCCCCCC)C1O | 0 |
COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Br-] | 0 |
Oc1nc2cccccc-2c1-c1nc2ccccc2[nH]1 | 0 |
c1ccc(CCCC2Sc3cccc4cccc(c34)S2)cc1 | 0 |
COC(=O)NN=C(C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
O=[N+]([O-])c1cccc(C(O)C(=NO)c2nc3ccc(Cl)cc3nc2O)c1 | 0 |
COc1ccc(C(=NNC(=S)NN)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1 | 0 |
COc1ccc(C(=O)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1 | 0 |
N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1 | 0 |
NNC(=S)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl | 0 |
C[N+](C)(C)CC(=O)NN=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21.[Cl-] | 0 |
CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=S)NN)s1 | 0 |
Cc1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] | 0 |
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=NNC(=S)NN)C1SC(=S)NC1=O | 0 |
Cc1ccc2nc(NC(=O)C(=NNC(=S)NN)C3C(=O)NC(=S)NC3=O)sc2c1 | 0 |
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1SC(=S)NC1=O | 0 |
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C1C(=O)NC(=S)NC1=O | 0 |
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1C)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1nc2cc(C)c(C)cc2nc1O | 0 |
CCc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2nc1O | 0 |
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1csc(-n2nc(C3=CCCCC3)cc2-c2ccccc2)n1 | 0 |
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 | 0 |
Cc1cc(Cl)ccc1NC(=O)C(=O)C(C(=O)c1ccccc1)C1OC(=O)c2ccccc21 | 0 |
CC(C)(C)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | 0 |
COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2C1=O | 0 |
CC(=O)c1ccc(NC(=O)C(=O)C(C(=O)C=Cc2ccccc2)C2OC(=O)c3ccccc32)cc1 | 0 |
O=C(Nc1cccc(O)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 | 0 |
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1ccc(O)cc1 | 0 |
Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 | 0 |
Cc1ccccc1NC(=O)C(=O)CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C | 0 |
COC(=O)C(C(=O)C(=O)Nc1c(C)cccc1C)c1cnc2ccccc2n1 | 0 |
Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)C(c1cnc2ccccc2n1)[N+](=O)[O-] | 0 |
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O | 0 |
COC(=O)C(C(=O)C(=O)Nc1cccc(OC)c1)c1cnc2ccccc2n1 | 0 |
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 | 0 |
COc1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] | 0 |
COC(=O)C(C(=NNC(N)=S)C(=O)Nc1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1 | 0 |
COc1ccc(OC)c(NC(=O)C(=O)CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)c1 | 0 |
COC(=O)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | 0 |
Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1occc(=O)c1O | 0 |
CC(=O)c1cccc(NC(=O)C(=O)Nn2c(=N)[nH][nH]c2=N)c1 | 0 |
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nn1c(=S)[nH]c2ccccc2c1=O | 0 |
N=c1[nH][nH]c(=N)n1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 | 0 |
COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccc([N+](=O)[O-])cc2nc1O | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 | 0 |
Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 | 0 |
COC(=O)C(C(=O)C(N)=O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 | 0 |
CC(=O)c1ccc(NC(=O)C(=O)CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 | 0 |
COc1ccc(NC(=O)C(=O)C(C(=O)c2ccccc2)C2OC(=O)c3ccccc32)c([N+](=O)[O-])c1 | 0 |
Cc1ccc(C)c(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)c1 | 0 |
Cc1ccc(NC(=O)C(=O)C(C(=O)C=Cc2ccccc2)C2OC(=O)c3ccccc32)c(C)c1 | 0 |
COC(=O)C(C(=O)C(=O)Nc1nc2ccc(OC)cc2s1)c1cnc2ccccc2n1 | 0 |
N=c1nc(NC(=O)C2=Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(O)=N2)[nH][nH]1 | 0 |
COC(=O)C(C(=O)C(=O)Nc1n[nH]c(=S)[nH]1)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccccc1OC)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2nc1O | 0 |
NC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1nc(=S)[nH][nH]1)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] | 0 |
Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 | 0 |
O=C(Nc1cc(Cl)ccc1Cl)C(=O)C(c1cnc2ccccc2n1)[N+](=O)[O-] | 0 |
O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 | 0 |
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21 | 0 |
CC(=O)c1ccc(NC(=O)C(=O)C(C(=O)c2ccc(Cl)c(Cl)c2)C2OC(=O)c3ccccc32)cc1 | 0 |
COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 | 0 |
Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 | 0 |
Nn1c(NNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n[nH]c1=S | 0 |
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 | 0 |
COc1ccc2nc(NC(=O)C(=O)NNC(=O)c3ccncc3)sc2c1 | 0 |
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21 | 0 |
Cn1c2c(cc(-c3ccccc3)c1=O)COc1ccccc1-2 | 0 |
OCCN1CCN2C=C(C3CCCC4N(CCO)CCN34)CCC21 | 0 |
NN1C(=O)C(CCO)SC1=NN=C1SC(CCO)C(=O)N1N | 0 |
CC(=O)OC(OC(C)=O)c1ncccc1C(=O)OC(C)C | 0 |
CC(C)OC(=O)c1cccnc1C=NO | 0 |
Oc1cccnc1C=NOCc1ccccc1 | 0 |
CC1(C)COC(c2cccnc2C=NO)=N1 | 0 |
CC(C)(C)OC(=O)c1cccnc1C=NO | 0 |
ON=Cc1ncccc1C1OCCO1 | 0 |
C(=NOCc1ccccc1)c1ncccc1C1OCCO1 | 0 |
COC(OC)c1cccnc1C | 0 |
CC(=O)OCCc1cccnc1C=NO | 0 |
CN(C)C(=O)Oc1ccc(C=NO)[n+](C)c1.[I-] | 0 |
CCN(CC)C(=O)Oc1ccc(COC(C)=O)nc1 | 0 |
CC(=O)OCc1cc(OC(C)=O)cnc1COC(C)=O | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.