smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
O=C(O)C12C3CCC(O3)C1(C(=O)O)C1CCC2O1 | 0 |
CC1(C)N=C(C2CCCN2C(=O)OCc2ccccc2)OC1=O | 0 |
Cl.O=C1C(CN2CCCC2)CCCC1CN1CCCC1 | 0 |
Cl.O=C1CCCCCCCCCCC1CN1CCCC1 | 0 |
O=C(NN=C1CCc2ccccc21)NN=C1CCc2ccccc21 | 0 |
Cl.O=C1C(CN2CCCCC2)CCC1CN1CCCCC1 | 0 |
CC[N+]1(C)CCC(O)(C=Cc2ccc(Cl)c(Cl)c2)C(C(=O)C=Cc2ccc(Cl)c(Cl)c2)C1.[Br-] | 0 |
CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1.Cl | 0 |
Cl.O=C(CCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccccc1 | 0 |
CC(C)C(C=Cc1ccccc1)=NNC(=S)NN | 0 |
CC(C)C(C=Cc1ccc(Cl)cc1)=NNC(=S)NN | 0 |
CC(C)C(=O)CC(Sc1ccc(N)cc1)c1ccccc1.Cl | 0 |
COC(=O)[CH-][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2 | 0 |
CC1(C)COC(=O)C1[OH+][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2 | 0 |
CCC[CH-][Ge]([CH-]CCC)([CH-]CCC)[OH+]C(=O)CNC(=O)c1ccccc1 | 0 |
C[CH-][Ge]([CH-]C)([CH-]C)[OH+]C(=O)CNC(C)=O | 0 |
C[CH-][Ge]([CH-]C)([CH-]C)[OH+]C(=O)C(OC(=O)C(F)(F)F)c1ccccc1 | 0 |
COc1ccc2nc(N=CN(C)C)sc2c1 | 0 |
CN(C)C=NCCN1CCOCC1 | 0 |
CN(C)C=Nc1ccc2c3c(cccc13)-c1ccccc1-2 | 0 |
CN(C)C=Nc1c2c(nc3ccccc13)CCCC2 | 0 |
CN(C)C=Nc1ccc2[nH]c3ccccc3c2c1 | 0 |
C=C(Br)CN=CN(C)C | 0 |
COc1cc(N=CN(C)C)c2ncccc2c1 | 0 |
CC(=O)N(C)c1ccc(N=CN(C)C)cc1 | 0 |
CC1(C)CC(C2=NCCO2)CC(C)(C)N1 | 0 |
COc1ccc(N=CN(C)C)c(C)c1 | 0 |
C[N+](C)(C)C=Nc1cccc2c1CCCC2.[I-] | 0 |
CN(C)C=Nc1c2ccccc2nc2ccccc12 | 0 |
CI.CN(C)C=Nc1cccc2nsnc12 | 0 |
CN(C)C=NCC(O)c1ccccc1 | 0 |
FC1(F)SC2CCCCCCCCCCC2C1(F)F | 0 |
CC(=Nc1c2ccccc2nc2ccccc12)N(C)C | 0 |
CN(C)C=Nc1cccc2cnccc12 | 0 |
Cc1ccccc1N=CN(C)C | 0 |
N#CC1CCCC2SC(F)(F)C(F)(F)C12 | 0 |
S=C(NCC(Br)=CBr)Nc1cccc2ccccc12 | 0 |
O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1 | 0 |
CC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl | 0 |
O=C1C(=COc2ccc(F)cc2)N2CCC1CC2 | 0 |
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1 | 0 |
CN1CCC(OC(=O)C(O)(c2ccccc2)c2cccc3c2OC(C)(C)C3)CC1 | 0 |
O=C(OC1CN2CCC1CC2)C(O)(C#Cc1ccccc1)c1ccccc1 | 0 |
CN1CCCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)C1 | 0 |
CC(=O)n1c(=O)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21 | 0 |
CN(C)CCCOC(=O)C(O)(Cc1ccccc1)c1cccc2c1OC(C)(C)C2 | 0 |
O=C(OC1CN2CCC1CC2)C(O)(Cc1ccccc1)C1CC1 | 0 |
N#Cc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)cc1 | 0 |
COc1ccc(C(=O)C=Cc2ccncc2)cc1OC | 0 |
CN(C)c1ccc(C=CC(=O)c2ccc(O)cc2)cc1 | 0 |
COc1ccc(C(=O)C=Cc2cccnc2)cc1OC | 0 |
O=C(C=Cc1ccc(O)cc1)c1cc(O)cc(O)c1 | 0 |
O=C(C=Cc1ccc(O)c(O)c1)c1cc(O)cc(O)c1 | 0 |
CC1(C)CCCOc2cccc(c2)OCCCC(C)(C)C1=O | 0 |
C=CCC1(C)CCCCCCCCCC(C)(CC=C)C1=O | 0 |
Cc1cc(Cc2c(F)c(F)c(C(c3cc(C)no3)c3c(F)c(F)c(F)c(F)c3F)c(F)c2F)on1 | 0 |
Cc1cc(Cc2c(F)c(F)c(Cc3cc(C)no3)c(F)c2F)on1 | 0 |
c1cc(-c2ncc(-c3ccc4c(c3)CCCO4)o2)ccn1 | 0 |
COc1ccc(-c2nnc(-c3ccncc3)o2)cc1 | 0 |
c1cc(-c2cnc(-c3ccc4c(c3)CCCO4)o2)ccn1 | 0 |
COc1cc2c(cc1OC)C(C)(C(O)C(O)C(C)(C)O)NCC2 | 0 |
CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2ccccc2)CC1.O=C(O)C(=O)O | 0 |
CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.Cl | 0 |
CCC(=O)C(CCN1CCC(N2C(=O)C(CCC#N)c3ccccc32)CC1)(c1ccccc1)c1ccccc1 | 0 |
NC(=O)ON=C1CCN(Cc2ccccc2)CC1 | 0 |
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 | 0 |
O=C1NCN(c2ccccc2)C12CCN(CCCSc1ccc(F)cc1)CC2 | 0 |
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1 | 0 |
CN(C)CCCOC(=O)C(O)(Cc1ccccc1)C1CC1 | 0 |
CN1CCC(O)(OC(=O)C(c2ccccc2)C2(O)CCCC2)CC1 | 0 |
Cl.O=C1CCC(C(=O)OC2CN3CCC2CC3)C(=O)N1 | 0 |
O=C1OCOC2(CCCC2)C1c1ccccc1 | 0 |
O=C1OC(CCCN2CCCCC2)(c2ccccc2)CC12CCCC2 | 0 |
C=C(CN(CC)CC)C1(c2ccccc2)CC2(CCCC2)C(=O)O1 | 0 |
CN(C)B(B(N(C)C)N(C)C)N(C)C | 0 |
O=C(OC1CN2CCC1CC2)C(O)(C=Cc1ccccc1)c1ccccc1 | 0 |
CC#CC(O)(C(=O)OC1CCCN(C)C1)C1=CC=CCC1 | 0 |
C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 | 0 |
Cl.O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccccc1 | 0 |
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 | 0 |
Cl.O=C(OCCN1CCCCC1)C(c1ccccc1)C1(O)CCSCC1 | 0 |
CN(C)CCCOC(=O)C(c1ccccc1)C1(O)CCSCC1 | 0 |
CCC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)(C)C1N1CCCCC1 | 0 |
C=C(CN(C)C)C1(c2ccccc2)CC2(CCCC2)C(=O)O1 | 0 |
CC1=NOC2(C1)C(=O)Nc1ccccc12 | 0 |
CC(=O)CC1(OC(=O)C2C(C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 | 0 |
S=c1cc(-c2ccc3c(c2)OCO3)s[nH]1 | 0 |
CCOC(=O)N(C)C1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl | 0 |
CC=CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 | 0 |
CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1 | 0 |
O=C(OC1CN2CCC1CC2)C(c1ccccc1)C1(O)CCCC1 | 0 |
CC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl | 0 |
O=C1OCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 | 0 |
CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl | 0 |
CCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 | 0 |
CCC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 | 0 |
CCC=CC(O)(C(=O)OC1CCN(C)CC1)C1CCCC1 | 0 |
CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 | 0 |
Cl.N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccccc1 | 0 |
C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCC1 | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.