smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
CCOC(=O)C(=O)NNc1nc2c(s1)C(=O)c1ccccc1C2=O | 0 |
O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1C(F)(F)F | 0 |
Cc1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 | 0 |
O=C(Cc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl | 0 |
CCCCN(CCCC)C(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2o1 | 0 |
CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2ccco2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1 | 0 |
CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1 | 0 |
CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1 | 0 |
CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc2c(c1)OCO2 | 0 |
CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc2c(c1)OCO2 | 0 |
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 | 0 |
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 | 0 |
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccc2c(c1)OCO2 | 0 |
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 | 0 |
CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 | 0 |
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1O | 0 |
COc1cccc(C2C(C(=O)Nc3cc(=O)n(C)c(=O)n3C)=C(C)NC(C)=C2C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1O | 0 |
CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1cccc([N+](=O)[O-])c1 | 0 |
CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc(NC(C)=O)cc1 | 0 |
COc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)=C(C)NC(C)=C2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O | 0 |
COc1cc(C2C(C(=O)Nc3cc(F)c(F)cc3F)=C(C)NC(C)=C2C(=O)Nc2cc(F)c(F)cc2F)ccc1O | 0 |
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1 | 0 |
CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2c(C)cccc2C)=C(C)N1 | 0 |
CC1=Nc2ccccc2NC(c2ccoc2)C1 | 0 |
CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)NC(c2ccncc2)C1 | 0 |
CC(=O)C=Cc1ccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)cc1 | 0 |
CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)NC(c2cccc3c2CCC3)C1 | 0 |
COc1cccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O | 0 |
O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O | 0 |
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O | 0 |
O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2C1=O | 0 |
NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 | 0 |
O=C1C=C(Nc2cc(Cl)ccc2Cl)c2ccccc2C1=O | 0 |
O=C1C=C(Nc2ccccc2C(=O)c2ccccc2)c2ccccc2C1=O | 0 |
Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 | 0 |
CCc1cccc(CC)c1NC1=CC(=O)C(=O)c2ccccc21 | 0 |
O=C1C=C(Nc2cccnc2)c2ccccc2C1=O | 0 |
Cc1cc(Br)ccc1NC1=CC(=O)C(=O)c2ccccc21 | 0 |
O=C1C=C(NCCc2ccccc2)c2ccccc2C1=O | 0 |
CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 | 0 |
O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=O | 0 |
O=C1C=C(Nc2ccc(Cl)cc2Cl)c2ccccc2C1=O | 0 |
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCNc3ccc4c(cc3=O)C(NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c(=O)cc1C(NC(C)=O)CC2 | 0 |
CC1=CC(=O)C2C(C)C(=O)C3C(C)(C(=O)C45OC(=O)CC3(C)C4(C)CCC34CC(C)CC(CN35)O4)C2C1 | 0 |
CC1=[N+]2[N-]C(N)=[S+][Ga-3]234([S+]=C(N)[N-][N+]3=C(C)c2cccc[n+]24)[n+]2ccccc21.[Cl-] | 0 |
CCN(CC)CCCC(C)Nc1c(Sc2cnc3cc(Cl)ccc3c2NC(C)CCCN(CC)CC)cnc2cc(Cl)ccc12.Cl | 0 |
CN1C(=O)N(C)P12(Cl)N(C)C(=O)N2C | 0 |
NCCCCCS(=O)(=O)O | 0 |
CS(C)=[O+][Ru-4]([ClH+])([ClH+])([ClH+])([ClH+])[n+]1cc2ccccc2[n-]1.[Na+] | 0 |
C=C1CC(CCCl)(c2ccccc2)OC1=O | 0 |
C=C1CC2(OC1=O)c1ccccc1CCc1ccccc12 | 0 |
C=C1CC2(OC1=O)c1ccccc1C=Cc1ccccc12 | 0 |
Cl.O=C1OC(c2ccccc2)(c2ccccc2)CC1CN1CCOCC1 | 0 |
CCOC(=O)N1CCN(C=S)CC1 | 0 |
Cc1ccc(S(=O)(=O)N2CCN(C=S)CC2)cc1 | 0 |
CCN(CC)C(=O)N1CCN(C=S)CC1 | 0 |
CC(=O)SC(SC(C)=O)SC(C)=O | 0 |
O=C(O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 | 0 |
CCOC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 | 0 |
NC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 | 0 |
O=C(O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1 | 0 |
CCOC(=O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1 | 0 |
Cn1c(=O)c2[nH]cnc2n(CC(=O)O)c1=O | 0 |
CCOC(=O)Cn1c(=O)n(C)c(=O)c2[nH]cnc21 | 0 |
Cn1c(=O)c2[nH]cnc2n(CC(N)=O)c1=O | 0 |
CCOC(=O)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccccc1 | 0 |
CCN(CC)c1oc(N(CC)CC)c(C(=O)Nc2ccccn2)c(=O)c1C(C)=O | 0 |
CCOC(=O)CC(=Nc1cc(C)on1)N(CC)CC.[O-][Cl+3]([O-])([O-])O | 0 |
CCN(c1ccc(Br)cc1)c1c(Br)c(=O)nc2ccccn12 | 0 |
CCOC(=O)C(=O)Nc1c(N(CC)CC)n2ccccc2nc1=O.Cl | 0 |
CCCCN(CCCC)c1c([N+](=O)[O-])c(=O)nc2ccccn12 | 0 |
CCOC(=O)C1=C(C)N(NC(N)=O)C(C)(O)C12CCOC2=O | 0 |
CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)C2(O)CCCC12C(=O)OCC | 0 |
COC(=O)C1=C(C)N(NC(=O)c2cccc(Cl)c2)C(C)(O)C12CCOC2=O | 0 |
CCOC(=O)C12CCCC1(O)N(NC(=O)c1cccc(Cl)c1)C(C)=C2C(=O)OC | 0 |
CCOC(=O)C1=C(C)N(NC(=O)OC)C2(N)N(NC(=O)OC)C(C)=C(C(=O)OCC)C12C#N | 0 |
CCOC(=O)C1=C(C)N(NC(N)=O)C2(N)N(NC(N)=O)C(C)=C(C(=O)OCC)C12C(=O)OCC | 0 |
COC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OC)C12C(=O)OC | 0 |
CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OCC)C12C#N | 0 |
CCOC(=O)C1=C(C)N(NC(N)=O)C2(N)N(NC(N)=O)C(C)=C(C(=O)OCC)C12C#N | 0 |
O=C(NC12CC3CC(NC(=O)c4ccccc4)(CC(C1)c1ccccc13)C2)c1ccccc1 | 0 |
Clc1ccc(OCC(COc2ccccc2)Oc2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 | 0 |
COc1ccc2c(c1)c1c3n2CCNN=C3CCC1 | 0 |
Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=O | 0 |
Cc1cc(N(CCC#N)S(C)(=O)=O)ccc1C=O | 0 |
N#CCCN(c1ccc(C=O)cc1)S(=O)(=O)c1ccccc1 | 0 |
CS(=O)(=O)N(CCC#N)c1ccc(C=O)cc1 | 0 |
N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 | 0 |
N#CCCN(CCC#N)c1ccc(C=C2N=C(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1 | 0 |
COc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 | 0 |
Cc1ccccc1N1C(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2)N=C1c1cc([N+](=O)[O-])ccc1Cl | 0 |
Cc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 | 0 |
COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(C)cc3)c2-c2ccccc2)cc1 | 0 |
c1ccc2c(c1)cc1n2CC2CN=NC12 | 0 |
Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(-n2ccnc2)cc1 | 0 |
CCSc1nc2n(c(=S)n1)CCN2C.I | 0 |
O=C1CCCN(c2ccccc2)N1 | 0 |
CCOC(=O)NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O | 0 |
C=C(C)C1CC2C(C)=C(OC(C)=O)C1n1c(=O)c3cc4ccccc4cc3c(=O)n12 | 0 |
CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C2(c3ccccc3)C(=O)C(C)CN12 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.