chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4289178 | [N][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][C][Ring1][#C] |
CHEMBL4289179 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4289180 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][Branch2][Ring1][Branch1][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4289181 | [C][/C][Branch2][Branch1][S][C][O][C][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][Ring2][Ring1][=C][=C][Ring2][Ring1][P][C][=N][/O] |
CHEMBL4289182 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289267 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4289268 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4289269 | [C][#C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][O] |
CHEMBL4289270 | [C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][O][C][=C][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4228845 | [C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] |
CHEMBL4228846 | [O][=C][Branch1][#Branch2][N][C@@H1][C][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring1][#Branch2] |
CHEMBL4228847 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C][Branch1][C][C][=N][N][Branch2][Ring1][S][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][S][Ring1][P][C][=Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][S] |
CHEMBL4228848 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][P] |
CHEMBL4228849 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N] |
CHEMBL4228850 | [C][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
CHEMBL4228932 | [C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][Branch1][#Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][C][#N][=C][Ring1][P][C][=C][Ring2][Ring1][#C] |
CHEMBL4228933 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][/C][Ring1][#C][=N][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4228934 | [C][O][C][=C][C][=C][C][=Branch2][Ring1][O][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][#C] |
CHEMBL4228935 | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4229021 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=N][Ring1][N][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4229022 | [O][=C][Branch2][Ring1][#Branch1][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4229023 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4229024 | [C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring2][=C][N][C][C][N][Branch2][Ring2][C][C][C][#C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][#C][C][C][C][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1] |
CHEMBL4229025 | [C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][C][C][C][Ring2][Ring1][S][=O] |
CHEMBL4229116 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][O][C][=Branch1][C][=O][N][C][=Branch1][C][=N][N][=C][Ring1][=N] |
CHEMBL4229117 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][/N][=C][\C][C@@H1][C@][Branch1][C][C][Branch1][#C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][#Branch1][=C][Ring2][Ring2][=Branch1] |
CHEMBL4229118 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@@H1][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4229119 | [C][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][=C][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][N][N][=C][Ring2][Ring2][C] |
CHEMBL4229120 | [C][C][C][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C] |
CHEMBL4229121 | [C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4229199 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4229200 | [C][C][O][C][=C][C][=Branch1][P][=C][Branch1][Ring2][O][C][C][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4229201 | [N][C][=N][C][Branch1][C][N][=C][N][=C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][S][=N][Ring2][Ring1][Branch1] |
CHEMBL4229202 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C][O][C][C][O][C][C][C][C][O][C][C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][=Branch1][=Branch1] |
CHEMBL4229203 | [C][N][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][N][C][=N][Ring2][Ring1][P] |
CHEMBL4229204 | [C][C][C][C][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][N][Branch2][Ring1][=Branch2][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4229205 | [O][=C][C][Branch2][Ring1][=N][C][C][C][C][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring2][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289293 | [C][O][C][C][N][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][O] |
CHEMBL4289294 | [C][C][=C][C][=C][Branch2][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4289295 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][=C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C@H1][Branch1][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][C][C@][Ring1][=N][Branch1][C][O][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][N][Se][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][=O] |
CHEMBL4289296 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][Branch1][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][S][Ring2][Ring1][N] |
CHEMBL4289297 | [O][=C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][/C][Ring2][Ring1][C][=N][/N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289298 | [C][C][O][C][=N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Ring1][S][C][=Branch1][C][=O][N][C][C][O] |
CHEMBL4289381 | [C][N][N][=C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=N] |
CHEMBL4289382 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4289383 | [C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][S][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4289384 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4289385 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N] |
CHEMBL4289458 | [O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4289459 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4289460 | [F][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][Ring1][#C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289461 | [C][C][C][C][C][C][C][C][C][C][C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N+1][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2].[Br-1] |
CHEMBL4289462 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL4289541 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][=C] |
CHEMBL4289543 | [C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][Branch1][Ring2][O][C][C][C][=C][Ring1][S][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4289544 | [O][=C][Branch1][#C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4289545 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][#C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][C][Ring2][Ring1][#Branch2][=S] |
CHEMBL4289628 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring1][=Branch2][C][N][Branch2][#C][Branch1][C][C][=Branch1][C][=O][N][Branch2][=C][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][N][=O][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=N][Ring2] |
CHEMBL4289629 | [C][C][=C][C][=C][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=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][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][#Branch1][C] |
CHEMBL4289630 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][Ring2][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][Ring2][Ring2][Ring2] |
CHEMBL4289631 | [F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2] |
CHEMBL4289632 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C] |
CHEMBL4289633 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
CHEMBL4289726 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][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][Branch3][Ring1][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch3][Ring1][C][=N][C][C][=Branch1][C][=O][N][C@H1][Branch2][P][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][C][O] |
CHEMBL4289727 | [C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][Ring1][Branch1][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1] |
CHEMBL4289728 | [N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring1] |
CHEMBL4289729 | [C][N][C][=C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4289730 | [C][O][C][=Branch1][C][=O][C][C][N][Branch2][Ring2][=C][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O][C][Branch1][C][C][C] |
CHEMBL4289820 | [C][O][C][=C][C][=C][Branch2][Ring1][N][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4289821 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][Ring2] |
CHEMBL4289822 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][P] |
CHEMBL4289823 | [C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][Branch1][C][C][C] |
CHEMBL4289824 | [C][=C][C][C@H1][/C][=C][Branch1][C][\C][C][C@@H1][Branch1][#C][C@H1][Branch1][C][O][N][C][=Branch1][C][=O][/C][=C][\C][=C][\C][O][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][/C][C][C][=Branch1][C][=O][C][C][C][C@@H1][Branch1][Branch1][C][Ring2][Ring2][C][O][Ring2][Ring1][P] |
CHEMBL4289902 | [C][N][Branch2][Ring2][=C][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch1][#C][C][N][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][N][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4289903 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][Ring1][=N][\O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][=Branch1][Branch1][C][C][O] |
CHEMBL4289904 | [C][C][NH1][N][=C][Branch2][Ring2][Branch2][N][C][=C][C][=N][C][=C][C][Branch1][Branch1][O][C][C][O][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][Ring1][P][C][=Ring2][Ring1][O][C] |
CHEMBL4289905 | [C][C][C][N][C][N][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Ring1][P][=S] |
CHEMBL4289906 | [C][C][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C][C@H1][C@@H1][Branch1][O][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][/C][=C][-/Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL4289992 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][S][Ring2][Ring1][Ring2] |
CHEMBL4289993 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4289994 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][N][=N][C][=C][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4289995 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][#C][O][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=N][O][Ring1][P][=C][Ring2][Ring1][#Branch2][F] |
CHEMBL4290076 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][C] |
CHEMBL4290077 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][S][Ring1][O][C] |
CHEMBL4290078 | [N][C][=N][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O] |
CHEMBL4290079 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch2][C][Ring1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] |
CHEMBL4290080 | [C][Si][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4290171 | [C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][Branch2] |
CHEMBL4290172 | [C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C][C][Ring1][S][C][C][Branch1][C][C][C] |
CHEMBL4290173 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] |
CHEMBL4290174 | [C][O][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4290175 | [O][=C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4290254 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4290255 | [O][=C][C][C][C][=C][C][Branch2][Ring1][=C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][=N][C][C][C][Ring1][=Branch1] |
CHEMBL4290256 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#C][C][N][=C][C][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][N][Ring1][=C][C][=Ring1][P][C][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][=C][Ring2][Ring2][Ring2] |
CHEMBL4290257 | [O][=C][C][=C][Branch2][Ring1][#C][O][C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][=N][Ring1][=N][C][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4290258 | [S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4290259 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][Branch1][#C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=C][Branch1][C][C][C][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring1][O] |
CHEMBL4290339 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][O][C][=C][Ring2][Ring1][C] |
CHEMBL4290340 | [C][C][O][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
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