smiles stringlengths 4 580 | HIV_active int64 0 1 |
|---|---|
COc1cc(N=Nc2ccccc2C(=O)O)cc(C=NNNC(N)=S)c1O | 0 |
COc1cc(N=Nc2ccccc2)cc2c1[OH+][Mo-](=O)(=O)([Mo-]1(=O)(=O)[OH+]c3c(cc(N=Nc4ccccc4)cc3OC)C=[N+]1[N-]C(N)=S)C[N+]([N-]C(N)=S)=C2 | 0 |
COc1cc(N=[N+]2c3ccccc3C(=O)[OH+][Mo]2(=O)=O)cc2c1[OH+][Mo](=O)(=O)[N+]([N-]C(N)=S)=C2 | 0 |
COc1cc(N=[N+]2[Cu-][OH+]C(=O)c3ccccc32)cc2c1[OH+][Cu-][N+]([N-]C(=S)Nc1ccc(C)cc1)=C2 | 0 |
CCCC(=O)OC1C(C(O)CO)OC2OC(C)(C)OC21 | 0 |
O=C(Nc1ccccc1)n1cc(-c2ccccn2)c(N2CCOCC2)n1 | 0 |
Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 | 0 |
CC(=O)Nc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1 | 0 |
O=C(NC(=Cc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1)c1ccccc1 | 0 |
CC1=NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 | 0 |
O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1 | 0 |
CC1=NC(=Cc2c(O)ccc3ccccc23)C(=O)O1 | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1cc(Cl)ccc1Cl | 0 |
CC1=NC(=Cc2cccc3ccccc23)C(=O)O1 | 0 |
O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3s2)cc1)c1nc2ccccc2s1)c1ccccc1 | 0 |
CC1=NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)O1 | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 | 0 |
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NN)cc1 | 0 |
Cc1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(C)cc3)C2=O)cc1 | 0 |
CC(=O)C1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O | 0 |
Cc1cccc(C)c1NC(=O)C1C(=O)N(c2c(C)cccc2C)C(=O)C1=NNC(N)=S | 0 |
NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1 | 0 |
NN=C1C(=O)N(C2CCCCCC2)C(=O)C1C(=O)NC1CCCCCC1 | 0 |
CCCCCNC(=O)C1C(=O)N(CCCCC)C(=O)C1=NN | 0 |
COCCCNC(=O)CC(=O)NCCCOC | 0 |
NN=C1C(=O)N(Cc2ccccc2)C(=O)C1C(=O)NCc1ccccc1 | 0 |
Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NNC(N)=S | 0 |
COCCCNC(=O)C1C(=O)N(CCCOC)C(=O)C1=NN | 0 |
Cc1ccccc1NC(=O)C1C(=O)N(c2ccccc2C)C(=O)C1=NNC(N)=O | 0 |
CC(=O)C1C(=O)C(=O)N(CCN2C(=O)C(=O)C(C(C)=O)C2=O)C1=O | 0 |
N#CC1C(=O)C(=O)N(c2ccccc2)C1=O | 0 |
Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)cc3)C(=O)C2=NNC(N)=S)cc1 | 0 |
CCCCNC(=O)C1C(=O)N(CCCC)C(=O)C1=NN | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C)cc1 | 0 |
NC(=S)NN=C1C(=O)N(CCc2ccccc2)C(=O)C1C(=O)NCCc1ccccc1 | 0 |
COc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)NC(C)=C1C(=O)Nc1ccccc1 | 0 |
N#CC1C(=O)NC(=O)C1=O | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc2ccccc12 | 0 |
COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1OC | 0 |
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(N)=O)cc1 | 0 |
CC(=O)C1C(=O)NC(=O)C1=O | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1ccccc1O | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1ccc(Br)cc1 | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1ccccc1Cl | 0 |
O=C1OC(c2ccccc2)=NC1=Cc1ccco1 | 0 |
COc1cc(C=C2N=C(c3ccccc3)OC2=O)cc(OC)c1OC | 0 |
CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1O | 0 |
COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(Cl)c(C(=O)OC(C)C)c1 | 0 |
Nc1ccc2c(c1)C(=O)N(O)C2=O | 0 |
CS(=O)(=O)ON1C(=O)c2ccc(N)cc2C1=O | 0 |
CC(C)S(=O)(=O)ON1C(=O)c2ccc(N(C)C)cc2C1=O | 0 |
CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2=O | 0 |
CC(C)S(=O)(=O)ON1C(=O)c2ccc([N+](=O)[O-])cc2C1=O | 0 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1cccc(C=NNC(=N)NO)n1 | 0 |
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=C=C1C(=O)Nc2ccc(F)cc21 | 0 |
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cccs1 | 0 |
CS(=O)(=O)Oc1cccc(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1 | 0 |
Cc1ccc(S(=O)(=O)O)cc1.N#Cc1cccc(C=NNC(=N)NO)c1 | 0 |
COc1ccc(OC)c(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1 | 0 |
Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(C(F)(F)F)cc1 | 0 |
O=c1nc2occc2cn1C1CC(O)C(CO)O1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCC(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4cnc[nH]4)C(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCCc4c[nH]cn4)[SH+][Ni-2]23[SH+]1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(C)C(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4ccccc4)C(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(CC(C)C)C(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4ccc(O)cc4)C(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
CSCCC(NC1=N[N+]2=C(c3ccccc3)C=[N+]3N=C(SC)[SH+][Ni-2]32[SH+]1)C(=O)O | 0 |
CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCCC(=O)O)[SH+][Ni-2]23[SH+]1 | 0 |
C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.[NaH] | 0 |
CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2O | 0 |
CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2=O | 0 |
CC12CCC3C(CCC4c5nonc5CCC43C)C1CC(=NO)C2=O | 0 |
CC12CC(=CO)C(=O)C(O)=C1CCC1C2CCC2(C)C(O)CCC12 | 0 |
CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C(O)CCC12 | 0 |
CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCC(=O)N2 | 0 |
CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC(=O)N2 | 0 |
CC12CCC3C(CCC4=C(O)C(=NO)CCC43C)C1CCC(=O)N2 | 0 |
CC12CCC3C(CCC4c5nn(-c6ccccc6)nc5CCC43C)C1CCC(=O)N2 | 0 |
CN1CCCC2C3CCC4=C(O)C(=O)CCC4(C)C3CCC21C | 0 |
CN1CCCC2C3CCC4c5nonc5CCC4(C)C3CCC21C | 0 |
CC(=O)OC1CCC2C3CCC4=C(O)c5nocc5CC4(C)C3CCC12C | 0 |
CC12CCC3C(CCC4C(=O)c5[nH]ncc5CC43C)C1CCC2O | 0 |
CC(=O)OC1CCC2C3CCC4C(=O)c5[nH]ncc5CC4(C)C3CCC12C | 0 |
CC12Cc3cn[nH]c3C(=O)C1CCC1C2CCC2(C)C1CCC2(C)O | 0 |
CN(C)c1ccc(C=CC=Cc2cc(C=CC=Cc3ccc(N(C)C)cc3)c3ccccc3[s+]2)cc1.[O-][Cl+3]([O-])([O-])O | 0 |
Brc1ccccc1C=NC12CC3CC(CC(C3)C1)C2 | 0 |
Brc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 | 0 |
Brc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 | 0 |
O=[N+]([O-])c1ccccc1C=NC12CC3CC(CC(C3)C1)C2 | 0 |
O=[N+]([O-])c1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 | 0 |
O=[N+]([O-])c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 | 0 |
Fc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 | 0 |
Cc1ccccc1C=NC12CC3CC(CC(C3)C1)C2 | 0 |
Cc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 | 0 |
Cc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 | 0 |
FC(F)(F)c1ccccc1C=NC12CC3CC(CC(C3)C1)C2 | 0 |
FC(F)(F)c1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 | 0 |
C=C1C(O)C2(C(=O)N1OC)C(=CCC)C=CC(=O)C2O | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.