chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL11146 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL11147 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C@H1][Ring1][Branch1][C][O] |
CHEMBL11236 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL3310096 | [C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][O] |
CHEMBL11168 | [C][C][=C][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][Branch1][C][Cl][=C][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL11169 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S] |
CHEMBL11255 | [Cl][C][=C][C][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11256 | [O][=C][C][=N][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch2] |
CHEMBL11257 | [C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL11186 | [C][O][C][C][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=C][Branch1][C][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O] |
CHEMBL11187 | [N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring2][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL11188 | [O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL11189 | [C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][O] |
CHEMBL4559971 | [C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][N][Ring1][=Branch1][O][Ring1][O] |
CHEMBL4559972 | [C][C][Branch1][C][C][C][C@H1][Branch2][O][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1... |
CHEMBL262031 | [C][/C][=C][/C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][... |
CHEMBL11216 | [O][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11217 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Rin... |
CHEMBL1163361 | [C][C][=C][C][=C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][=N][O] |
CHEMBL11218 | [O][=C][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL11220 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] |
CHEMBL10945 | [C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][N][Branch2][Ring1][=C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL10946 | [N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL11238 | [C][O][C][C][O][C][C][N][Branch2][Ring2][P][C][C][C][C][C][S][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][NH1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][... |
CHEMBL11239 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][#C] |
CHEMBL495 | [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11240 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL10966 | [O][=C][Branch1][C][O][C][C][C][/C][=C][/C][C@@H1][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][O] |
CHEMBL11258 | [C][C][C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][=Branch1][O][C][C][C][C][=C][Ring1][S][Cl] |
CHEMBL11259 | [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branc... |
CHEMBL11260 | [C][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][#N][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1] |
CHEMBL11261 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Bran... |
CHEMBL11262 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N] |
CHEMBL10988 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][NH1][Ring1][Branch2][C][=C][Ring1][=C] |
CHEMBL10989 | [C][C@][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL3310174 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][N][=N][C][=C][Branch1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4559988 | [O][=C][Branch1][C][O][C][C][C][S][C][=N][N][=C][Branch1][P][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=Branch2][Cl][O][Ring1][#C] |
CHEMBL4559989 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][#Branch1][O][Ring1][O] |
CHEMBL11568 | [C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][N][Ring1][=C] |
CHEMBL11569 | [C][O][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11571 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11572 | [C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][N][N][C][=C][C][=C][Ring1][Branch1] |
CHEMBL11573 | [C][C][N][C][C][C][N][Branch1][Ring1][C][C][C][Ring1][Branch2][=O] |
CHEMBL10948 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL10949 | [C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11029 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O] |
CHEMBL11030 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4560004 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][C][=N][/N][C][=Branch1][C][=S][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] |
CHEMBL4560005 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][N][C][C][=C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N][Ring1][=N][N][=Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4560006 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=N][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][S][C][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C... |
CHEMBL10967 | [O][=C][Branch1][=N][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][N][C][Ring1][=Branch1][=O] |
CHEMBL10968 | [C][N][C][Branch1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][I][C][=C][Ring1][=Branch2][O][C] |
CHEMBL10970 | [C][S][C][C][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1] |
CHEMBL11053 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL10990 | [C][S][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1] |
CHEMBL10991 | [C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL11079 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][F] |
CHEMBL3310226 | [C][C][=N][C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][C][Cl][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O] |
CHEMBL3310227 | [C][C][=N][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O] |
CHEMBL11006 | [C][O][C][=C][C][Branch1][#Branch2][C][C][Branch1][C][C][N][C][C][#N][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][I] |
CHEMBL11097 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL11098 | [C][C][Branch1][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL3310234 | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][P][O] |
CHEMBL11031 | [C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][Branch1][C][C][C] |
CHEMBL11032 | [C][C][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL11033 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] |
CHEMBL11123 | [C][C][/C][=Branch2][Ring1][Branch1][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N] |
CHEMBL11124 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=O] |
CHEMBL11054 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] |
CHEMBL11055 | [C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][N][=C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] |
CHEMBL11058 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL11148 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][O][Ring1][Branch2] |
CHEMBL11080 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][O][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL11081 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL11082 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][Branch1][Ring1][O][C][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][P][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][... |
CHEMBL1163357 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][Branch1][Ring1][\C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11170 | [C][=C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][Ring1][#C] |
CHEMBL11106 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring... |
CHEMBL11199 | [C][C][/C][=Branch2][Ring1][Branch1][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][O][C][N][Branch1][C][C][C][C][=C][Ring1][O] |
CHEMBL11200 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring... |
CHEMBL11201 | [C][C][C][C][C][C][C][N][Branch2][Ring2][P][C][C][C][C][C][S][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][NH1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][C][... |
CHEMBL11203 | [C][N][Branch1][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11204 | [C][C][C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL11125 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][N][C][C][=N][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL11127 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][NH1][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11129 | [C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL11221 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL11222 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][Branch1][C][O][C][=C][N][=C][Ring1][#Branch1][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL11149 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Branch2][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][Ring2][Ring2][C] |
CHEMBL11150 | [C][C@@][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL11151 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL11153 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL1163362 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Ring1][N][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL11241 | [C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][N][Cl] |
CHEMBL11171 | [C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring1][S] |
CHEMBL11172 | [C][C][C][C][C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL11173 | [C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][Ring2][Ring1][C][NH1][C][=Ring2][Ring1][#Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][#C][=O] |
CHEMBL11174 | [O][=C][O][C][Branch1][C][O][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL3310228 | [C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=C][O] |
CHEMBL3310229 | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O] |
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