chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL162786 | [C][=C][C][C][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Bran... |
CHEMBL1091420 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][C][N][Branch1][C][C][C][C][C][C][Branch2][Ring1][Branch1][C][N][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][C][C][C][C][=C... |
CHEMBL1076370 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][Branch1][=O][C... |
CHEMBL1092050 | [C][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][=Branch1][Ring1][O][C][C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=... |
CHEMBL1092059 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][R... |
CHEMBL1093690 | [C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][O] |
CHEMBL1092134 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][Ring1][=N] |
CHEMBL604773 | [N][C][=N][N][Branch1][S][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=Ring1][#Branch1] |
CHEMBL1094649 | [N][C][C@@H1][O][C@H1][Branch2][=Branch2][Branch1][O][C@@H1][C@@H1][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C@@H1][Branch2][=Branch1][N][O][C@@H1][C@@H1][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Rin... |
CHEMBL4116089 | [C][N][Branch1][C][C][C][C][C][C][=C][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][N][=N][Ring2][Ring1][Ring2] |
CHEMBL1093624 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Ring1][N] |
CHEMBL1093669 | [C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][C][C@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Branch1][C... |
CHEMBL1097899 | [C][N][C][C][C][Branch2][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=N][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][C][=N][Ring2][Ri... |
CHEMBL1097906 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@][O][C@H1][Ring1][Ring1][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][C@][Ring1][P][Ring1][=N][O] |
CHEMBL1207462 | [C][C][C][=C][C][=C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1][Ring1][=C][C][=... |
CHEMBL1162532 | [C][C][=C][N][Branch3][Ring1][S][N][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch3][Ring1][#C][N][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C][C@H1][... |
CHEMBL1160274 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Branch1][Ring2][C][O][P][=Branch1][C][=S][Branch1][C][S][N][C][C][N][P][=Branch1][C][=S][Branch1][C][S][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Bra... |
CHEMBL1162460 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][Ring2][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#Branch1][C][C][=Bra... |
CHEMBL1200681 | [C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][S][S][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][Ring1][#Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Rin... |
CHEMBL1088958 | [C][O][C][=C][C][=C][Branch2][Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][C][=C][N][Branch2][Ring1][=N][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][N][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2... |
CHEMBL1088966 | [C][O][C][=C][C][=C][Branch2][Branch1][N][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][C][=C][N][Branch2][Ring1][=N][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][N][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2... |
CHEMBL1090356 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch2][Ring2][N][C][N][=C][S][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring1][=... |
CHEMBL1095982 | [C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][P][N][C][=C][Branch2][Ring1][=Branch1... |
CHEMBL1094654 | [C][O][C][C@H1][O][C@H1][Branch2][Ring2][=N][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Branch2][O][C][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][N][O][C][C@@H1][Ring2][Ring1][#Branch1][O][C][C@H1][Branch1][Ring1][O][C][C@@H1][B... |
CHEMBL1094936 | [Cl].[N][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][O][=O][C][C][C][C][N][Ring1][Branch1] |
CHEMBL445011 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][=Branch2][C@H1][Branch2][Ring2][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Ring2]... |
CHEMBL1088204 | [C][C][Branch1][#Branch2][N][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL1078223 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch2] |
CHEMBL1086957 | [C][C][C][Branch1][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][C][C][C][=C][Ring1][#Branch2][NH1][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][O][Ring1][Branch2] |
CHEMBL1090397 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][F][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL1080664 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][C][Ring1][S][C][Ring1][=Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL1213233 | [C][S][C][C][C@H1][Branch2][Branch2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=... |
CHEMBL163319 | [Br-1].[Br-1].[C][=C][C][Branch2][Ring1][Ring2][C][N+1][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N+1][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Rin... |
CHEMBL1096286 | [O][=C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL1096337 | [C][C][=C][S][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][C] |
CHEMBL1083224 | [C][C][Branch1][C][C][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1]... |
CHEMBL1086694 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL1094663 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][N][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][F][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C]... |
CHEMBL1095378 | [N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL1089674 | [C][C][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch... |
CHEMBL611932 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ri... |
CHEMBL611935 | [O][=C][C][C][N][C][C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring1][=N] |
CHEMBL611968 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1]... |
CHEMBL1093288 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Branch1][Ring2][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Cl][C][=C][Ring2][Ri... |
CHEMBL1097293 | [C][N][C][=C][Branch1][Ring1][S][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CHEMBL1096640 | [O][=C][N][C][=Branch1][C][=S][S][/C][Ring1][=Branch1][=C][\C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O] |
CHEMBL1097356 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@H1][Branch1][C][O][C@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C]... |
CHEMBL1097360 | [C][C][C@][C][C][C][N][C][C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2][C@@H1][Ring1][P][Ring2][Ring1][Branch1] |
CHEMBL1209184 | [Cl].[N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][C@@H1][C][N][C][C@H1][Ring1][#Branch1][C][Ring1][=Branch1] |
CHEMBL1214513 | [C][C][C@@H1][Branch2][=Branch1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C@@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][C][C@][Rin... |
CHEMBL1083881 | [O][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL1091334 | [C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][=Branch1][Ring2][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1][=N][N][Ring2][Ring1][Branch2][C][C][Branch1][C][O][C][N][C][C... |
CHEMBL1091340 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][P][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1][=N][N][Ring2][Ring1][Branch2][C][C][C][N][C][C][C... |
CHEMBL1164952 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL1170234 | [C][C@@H1][O][C@H1][Branch2][Branch1][=Branch1][O][C@H1][C][C][C@][Branch1][Ring1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C@][Ring1][N][Branch1][C][O][C@@H1][Ring1][P][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][O][C][Ring2][Ring1][N][C@H1][Bran... |
CHEMBL1086527 | [C][N][C][=N][C][=C][Branch1][=Branch1][N][C][C][C][O][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][#C][Ring2][Ring2][C] |
CHEMBL1095192 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL1159483 | [O][C][C@H1][O][C@@H1][Branch2][Ring2][Ring2][O][C@@H1][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][O] |
CHEMBL1159641 | [C][C][C@H1][O][C@H1][Branch2][=Branch1][Branch1][O][C@H1][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch2][Ring2][S][O][C][=C][C][=C][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][Branch2][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][=Ring1][S][C][... |
CHEMBL606771 | [C][N][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C@@][Ring1][=C][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][C][Ring1][#C] |
CHEMBL611973 | [C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] |
CHEMBL609427 | [C][N+1][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][C][N-1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=Branch2][C][=Ring1][N][Ring2][Ring1][Branch1].[Cl] |
CHEMBL609688 | [C][N+1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][N-1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][C][=Ring1][=N][Ring2][Ring1][Branch1].[Cl] |
CHEMBL1076741 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][N][C][=N][N][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Branch2] |
CHEMBL1076229 | [C][C][C][C][C@H1][Branch2][Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][N][... |
CHEMBL1076371 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][Branch1][=O][C... |
CHEMBL548124 | [C][O][C][C][N][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=C][C][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2] |
CHEMBL1078741 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C@H1][C][C][N][C][Ring1][Branch1] |
CHEMBL1078396 | [C][O][C][=C][C][=C][NH1][N][Branch1][S][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL1085469 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C][C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C@... |
CHEMBL1086530 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][S][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][O][=O] |
CHEMBL1086372 | [C][C][C][C][C][C][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1163145 | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=B... |
CHEMBL3347295 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][... |
CHEMBL1162403 | [N][C][C@H1][O][C@H1][Branch2][Branch1][N][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@... |
CHEMBL154170 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL165949 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][... |
CHEMBL1092064 | [C][N][C@@H1][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring2][Ring1][Ring1] |
CHEMBL1094324 | [N][C][Branch1][#Branch2][C][C][=N][S][N][=C][Ring1][Branch1][O][C][=Branch1][C][=O][O] |
CHEMBL1094336 | [N][C][C@@H1][O][C@H1][Branch2][=Branch2][O][O][C@@H1][C@@H1][Branch1][S][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch2][=Branch1][S][O][C@@H1][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ri... |
CHEMBL1094354 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][/N][=C][Branch1][#C][/N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][C][N][Branch2][Ring2][=N][C][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][... |
CHEMBL1161558 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][=C][C][=C][Ring2][Ring1][Branch1][O] |
CHEMBL1164909 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][C][C][C][C@@H1][C@@][Branch1][C][C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][... |
CHEMBL1165018 | [C][=C][Branch1][Ring2][C][O][C][C@@H1][C][C][C@][Branch1][=N][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][... |
CHEMBL1162159 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@H1][O][C@@H1][Branch2][#Branch1][=N][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch... |
CHEMBL3347296 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][... |
CHEMBL1075993 | [O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C]... |
CHEMBL160417 | [C][C][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=... |
CHEMBL161573 | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][S][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][... |
CHEMBL1084958 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1]... |
CHEMBL1076217 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=C][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C... |
CHEMBL1077528 | [C][C][C][C][C][C][C][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][C][C][C@H1][C@@H1][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C] |
CHEMBL1095900 | [O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][/C][Ring2][Ring1][C][=C][/N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL1159511 | [C][C][Branch1][C][C][O][C@@H1][C@@H1][Branch2][=Branch1][Branch2][C][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ri... |
CHEMBL1162300 | [N][C][=N][C][=C][Branch2][Ring2][=C][N][=C][N][Ring1][Branch1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring2][Ring1][Ring2][C][=Branch1][C][=O][NH1][Ring2][Ring1][=C] |
CHEMBL164817 | [O][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][C][=C][C][=C][C][=C][Ring... |
CHEMBL1093296 | [C][O][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][#Branch1][B-1][Branch1][C][F][Branch1][C][F][N+1][Ring1][=N][=C][Ring1][P][C] |
CHEMBL1093989 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] |
CHEMBL1092099 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][N][=N][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring2][Ring1][P][N][Ring2][Ring2][Ring2][C] |
CHEMBL1094672 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][N][C][=Branch1][C][=O][C][N][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][... |
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