smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
CCOC(=O)C(NC(=O)Nc1ccc(C)cc1)(OCC)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)Nc1ccc(Cl)cc1)(OC)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)Nc1ccccc1F)(OC)C(F)(F)F | 0 |
CCOC(=O)C(Cl)(NC(=O)NC(Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)C(O)(NC(=O)NC(O)(C(=O)OCC)C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)C(O)(NC(=O)Nc1ccc(F)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)Nc1ccccc1)(Nc1cccc(Cl)c1)C(F)(F)F | 0 |
CCC1(COC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)COC1 | 0 |
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)c1ccccc1)(c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F | 0 |
NS(=O)(=O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 | 0 |
O=C(O)CSC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F | 0 |
O=C(O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 | 0 |
Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)no1 | 0 |
CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F | 0 |
CCOC(O)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)CC)(Nc1ccccc1F)C(F)(F)F | 0 |
CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F | 0 |
CCOC(=O)NC(Nc1ncccn1)(C(=O)OCC)C(F)(F)F | 0 |
CCOC(=O)NC(OCc1ccccc1)(C(=O)OC)C(F)(F)F | 0 |
CCC(=O)NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F | 0 |
CCC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F | 0 |
CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F | 0 |
FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1)C(F)(F)F | 0 |
CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 | 0 |
CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 | 0 |
CCOC(=O)C1(C(F)(F)F)N=C(CC)OC(N2CCOCC2)=N1 | 0 |
NC(CCCCP(=O)(O)O)C(=O)O | 0 |
NC(CCCCCP(=O)(O)O)C(=O)O | 0 |
NC(CCCCCCCCCCP(=O)(O)O)C(=O)O | 0 |
NC(CCOCCP(=O)(O)O)C(=O)O | 0 |
NC(CC=CP(=O)(O)O)C(=O)O | 0 |
NC(Cc1ccccc1CP(=O)(O)O)C(=O)O | 0 |
NC(Cc1ccc(CP(=O)(O)O)cc1)C(=O)O | 0 |
NC(CCCCCP(=O)(c1ccccc1)C1C=CC=CC1)C(=O)O | 0 |
NC(CCP(=O)(O)CCC1C=CC=CC1)C(=O)O | 0 |
NC(CCOCCP(=O)(O)CCC1C=CC=CC1)C(=O)O | 0 |
NC(CCOCCP(=O)(O)CCOCCC(N)C(=O)O)C(=O)O | 0 |
C=C1C(=O)OC2C1CC(O)C(C)=CCCC1(C)OC21 | 0 |
C=C1C(=O)OC2C1CC(OC(C)=O)C(C)=CCCC1(C)OC21 | 0 |
C=C1C(=O)OC2C1CC(O)C1(C)OC1CCC1(C)OC21 | 0 |
CC1=CCCC2(C)OC2C2OC(=O)C(C)C2CC1O | 0 |
C=C1C(=O)OC2C1CC(=O)C(C)=CCCC1(C)OC21 | 0 |
O=C(O)c1cc(O)nc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)cc(O)nc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] | 0 |
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccccc1)C2C(=O)OC | 0 |
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)CCC1C2C(=O)OC | 0 |
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)CC1C2C(=O)OC | 0 |
COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)C(C)C1C2C(=O)OC | 0 |
COC(=O)CC1(O)C(C=C(C)C)C(C(=O)OC)C(=O)C(C(=O)OC)C1C(=O)OC | 0 |
COC(=O)CC1(O)C(C=Cc2ccccc2)C(C(=O)OC)C(=O)C(C(=O)OC)C1C(=O)OC | 0 |
O=C(OC1C2OC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OCC3OC(O)C(OC(=O)c5cc(O)c(O)c(O)c5Oc5cc6c(c(O)c5O)-c5c(cc(O)c(O)c5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)c1cc(O)c(O)c(O)c1)C3OC4=O)c1cc(O)c(O)c(O)c1 | 1 |
CC(CCOc1c2ccoc2cc2oc(=O)ccc12)C1=CC(=O)C(C)(C)O1 | 0 |
CCOC(=O)C(CC1OC(C)(C)OC1C1COC(C)(C)O1)=NO | 0 |
CC1OC2(CC(OCc3ccccc3)C1OCc1ccccc1)OCCO2 | 0 |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH] | 0 |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH] | 0 |
COC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(C)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 | 0 |
CCOC(=O)c1ncn(CCc2ccc(Cl)cc2)c1C | 0 |
CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c(cc3c(Cl)cccc32)c1O | 0 |
O=c1[nH]n(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc12 | 0 |
O=c1c2cc([N+](=O)[O-])ccc2n2n1Cc1ccccc1CC2 | 0 |
O=C1Nc2ccccc2NC1=CC(=O)C(F)F | 0 |
CCOC1NC(N=Cc2ccc(OC)cc2)=C(C#N)C1C#N | 0 |
CCCCCC(=Nc1nc[nH]c1C(N)=O)OCC | 0 |
N#Cc1ccc(C2NN=CC23C(=O)c2ccccc2OC3c2ccccc2)cc1 | 0 |
Cc1ccc(C(=O)OCC2CCC(n3cc(N(C)C4CCCCC4)c(=O)[nH]c3=O)O2)cc1 | 0 |
CN(c1cn(C2CCC(CO)O2)c(=O)[nH]c1=O)C1CCCCC1 | 0 |
CCCCCCCCCc1cc(-c2ccc(C=O)s2)sc1-c1ccc(C=O)s1 | 0 |
Cc1cc(=O)n2nc(SCc3ccccc3)sc2n1 | 0 |
CSC(=S)CC(O)C1CC2c3ccccc3C1c1ccccc12 | 0 |
CC1(C)OC2C(C#N)CC(COC(=O)c3ccccc3)C2O1 | 0 |
OCC1CC(c2nnn[nH]2)C(O)C1O | 0 |
COc1c(C(C)C)cc(O)c2c1CCC1C(C)=C(C(=O)O)CCC21C | 0 |
CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)C)c(O)c3CCC12 | 0 |
CC1=C(C(=O)O)CCC2(C)C3=C(CCC12)C(=O)C(C(C)C)=CC3=O | 0 |
COc1c(C(C)C)ccc2c1CCC1C(C)=C(C(=O)O)CCC21C | 0 |
CC(C)=CCNc1ncnc2c1ncn2CCC(=O)O | 0 |
CC(C)=CCNc1ncnc2c1ncn2CCC#N | 0 |
CC(C)=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C | 0 |
CC(=O)OCCn1cnc2c(NCC=C(C)C)ncnc21 | 0 |
CC(C)=CCNc1nc(Cl)nc2[nH]cnc12 | 0 |
CC(C)=CCN(N=O)c1ncnc2[nH]cnc12 | 0 |
COC(=O)CCn1cnc2c(SC)ncnc21 | 0 |
CSc1ncnc2c1ncn2CCC#N | 0 |
CSc1ncnc2c1ncn2CCC(=O)O | 0 |
CSc1ncnc2c1ncn2CCC(=O)OC(C)(C)C | 0 |
CC(=CCNc1nc(Cl)nc2nc[nH]c12)CO | 0 |
CC(=CCNc1ncnc2nc(Cl)[nH]c12)CO | 0 |
CC(=CCNc1ncnc2c1ncn2CCC#N)CO | 0 |
CC(=CCNc1ncnc2c1ncn2CCC(=O)O)CO | 0 |
CC(=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)CO | 0 |
CC(CO)CCNc1ncnc2c1ncn2CCC#N | 0 |
CC(CO)CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C | 0 |
CC(CO)CCNc1ncnc2c1ncn2CCC(=O)O | 0 |
COc1ccc(OC)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-] | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.