molecule_smiles
stringlengths 1
2.5k
| SELFIES
stringlengths 3
9.88k
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|---|---|
Cc1cc(C(=O)CSc2nc(-c3ccccc3)cs2)c(C)n1C | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C] |
Cc1cc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2ccccc2)no1 | [C][C][=C][C][Branch2][Ring2][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][S] |
Cc1cc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccccc2)no1 | [C][C][=C][C][Branch2][Ring2][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][S] |
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)on2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] |
Cc1cc(OCC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)no1 | [C][C][=C][C][Branch2][Ring1][P][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#C][=N][O][Ring2][Ring1][=Branch2] |
Cc1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P] |
CCCOc1ccccc1NC(=O)COc1cc(C)on1 | [C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
CCc1cccc(CC)c1NC(=O)COc1cc(C)on1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
CN(c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COCCCn1c(Sc2ccc(F)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCC3 | [C][O][C][C][C][N][C][Branch2][Ring1][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Ring2][Ring1][Ring2][=O][C][C][C][Ring1][Branch2] |
Cc1cc(C)n(CCCNc2nc3ccccc3s2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=Ring2][Ring1][Ring1] |
Oc1ccc(N2CCN(c3nc4ccccc4s3)CC2)cc1 | [O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
Cc1cc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)no1 | [C][C][=C][C][Branch2][Ring2][=Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][#C] |
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)COc2cc(C)on2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] |
O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1] |
Cc1cc(Br)ccc1NC(=O)CNc1nc2ccccc2s1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
O=[N+]([O-])c1ccc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)nc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1] |
Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][O][Ring1][P] |
Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][Ring1] |
O=C(COC(=O)/C(=C/c1ccccc1)c1cccs1)NNC(=O)c1ccccc1F | [O][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][N][=C][Ring2][Ring1][=Branch1] |
CCCNC(=O)CN(C)c1nc2ccccc2s1 | [C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
c1ccc2sc(-n3cnc4ccccc43)nc2c1 | [C][=C][C][=C][S][C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C] |
Cc1noc(C)c1COc1ccc(Cl)cc1[N+](=O)[O-] | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] |
CCn1c(Sc2ccc(F)cc2[N+](=O)[O-])nc2ccccc21 | [C][C][N][C][Branch2][Ring1][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
Nc1ccc(C(=O)OCCOC(=O)c2ccccc2)cc1[N+](=O)[O-] | [N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][N+1][=Branch1][C][=O][O-1] |
COc1cccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
Cc1ccc(C)c(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][O][Ring1][Branch1] |
Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][O][Ring1][P] |
Cc1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][N][C] |
c1ccc2sc(NCC3(N4CCOCC4)CCCCC3)nc2c1 | [C][=C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
COCCN(CCOC)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][C][N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] |
CCCN(Cc1ccc(C)cc1)C(=O)CN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 | [C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] |
Cc1ccc(NC(=O)CN2CCN(CC(=O)N(C(C)C)C3CCCCC3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N] |
Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] |
COc1ccccc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
Cc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)s1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][N] |
Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Branch1][C][C][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] |
CCOC(=O)N1CCN(C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][C][C][Ring2][Ring1][Branch1] |
COc1ccc(C)cc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
Cc1cc(C(=O)NC2CCCCCCC2)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][=C][Branch1][C][C][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] |
CC(=O)NCCCc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] |
CC(=O)NCCCc1ccc(C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
C[C@H](CC(=O)N[C@@H](C)CCc1ccccc1)NC(=O)c1ccccc1 | [C][C@H1][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccccc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
CCc1nc(COC(=O)c2ccc(C)c(S(=O)(=O)N(CC)c3ccccc3)c2)cs1 | [C][C][C][=N][C][Branch2][Ring2][#Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][=C][S][Ring2][Ring1][N] |
COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O | [C][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][N][=C][Ring2][Ring1][=Branch1] |
O=[N+]([O-])c1cc(Cl)ccc1OCc1coc(-c2ccccc2)n1 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O | [C][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(-c2ccccc2)cs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
CC(=O)NCCCc1ccc(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)cc1 | [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] |
C[C@@H]1CCCCN1C(=O)c1ccc(Cn2c(O)ccc2O)cc1 | [C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][C][Branch1][C][O][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=C] |
O=C(CCCSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=C][C][C][C][S][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCCCOCCCNC(=O)CN1C(=O)CSc2ccccc21 | [C][C][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CCCCOCCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 | [C][C][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][#N][C][=C][Ring1][=C] |
Cc1c(Cl)cccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][#C] |
C[C@H](CCc1ccccc1)NC(=O)C[C@@H](C)NC(=O)c1ccccc1 | [C][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C[C@H]1CCCCN1C(=O)c1ccc(Cn2c(O)ccc2O)cc1 | [C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][C][Branch1][C][O][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=C] |
C[C@@H](CCc1ccccc1)NC(=O)C[C@H](C)NC(=O)c1ccccc1 | [C][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(OC)c(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][Branch2] |
C/C=C/C(=O)OCC(=O)c1ccc(CCCNC(C)=O)cc1 | [C][/C][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][=N] |
CCCCOCCCNC(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C | [C][C][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][N][=C][C][Branch1][O][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=C][Ring1][=N][C] |
CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cccnc2SC(F)F)cc1 | [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1] |
O=C1c2ccccc2C(=O)N1CCCCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][S][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][#C] |
CC=CC=CC(=O)OCC(=O)c1ccc(CCCNC(C)=O)cc1 | [C][C][=C][C][=C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][=N] |
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2C1 | [C][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][S][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=C][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][N] |
C[C@H](CCc1ccccc1)NC(=O)C[C@H](C)NC(=O)c1ccccc1 | [C][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1csc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cncn4)cc3)c2C)n1 | [C][C][=C][S][C][Branch2][Ring2][O][N][C][Branch1][C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][=N] |
Cc1ccc(Cl)cc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2C1 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][C][S][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=C][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][N] |
CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)c2cccnc2SC(F)F)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][Branch1][C][F][F][S][Ring2][Ring1][Branch1] |
Cc1cc(C(=O)NCc2ccc3c(c2)OCCO3)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][O][Ring1][Branch1] |
CC(C)C(NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 | [C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] |
COc1cc(Cl)c(C)cc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][P] |
CCOc1ccc(CCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch2][O][C][C] |
CCOc1ccc(CCNC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][C][=C][Ring2][Ring1][Branch2][O][C][C] |
COC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CC(C)C(NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 | [C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] |
Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][#C][C][C][=C][C][=C][O][Ring1][Branch1] |
Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=C][Branch1][C][C][N][Ring2][Ring1][#Branch1][C][C][=C][C][=C][O][Ring1][Branch1] |
Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][O][Ring1][Branch1] |
CS(=O)(=O)N(CC(=O)NCCc1cccc(Cl)c1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
COc1cccc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch2][O][C] |
Cc1cc(C(=O)NCCc2cccc(Cl)c2)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][C][C][C][=C][C][=C][O][Ring1][Branch1] |
CN(Cc1c(F)cccc1Cl)C(=O)c1cc2ccccc2s1 | [C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
Cc1c(Cl)cccc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
COc1ccc(SCC(=O)Nc2ccccc2N2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
O=C(c1cc2ccccc2s1)N1CCC(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] |
O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccccc1F | [O][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Cc1cc(Br)ccc1NC(=O)c1cc(C)n(Cc2ccco2)c1C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C] |
CS(=O)(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
COc1cc(OC)c(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][C][=C][Ring2][Ring1][Branch2][Cl] |
Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)c(C)n1Cc1ccco1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1] |
O=C(CN1CCN(CC2CCCCC2)CC1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 | [C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] |
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