chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL11739 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CHEMBL11822 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][=N] |
CHEMBL3309309 | [O][=C][Branch2][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1... |
CHEMBL11845 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][Branch1][O][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][N] |
CHEMBL11846 | [C][C][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL11847 | [C][C][C][NH1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=N][C][=Ring2][Ring1][C][Ring1][#Branch2] |
CHEMBL11782 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL11783 | [C][C][=Branch1][C][=O][S][C][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O] |
CHEMBL11869 | [C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11871 | [C][/C][=Branch1][P][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11872 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][O][C][Ring2][Ring1][Branch1].[I-1] |
CHEMBL11873 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL11802 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch2][Ring1][Ring2][/N][=C][Branch1][Ring2][/N][C][#N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][#Branch2][O] |
CHEMBL11803 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11804 | [C][N][N][=N][N][=C][Ring1][Branch1][C][Branch2][Ring1][C][/C][=C][/C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Na+1] |
CHEMBL11893 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL11824 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][Ring1][=C] |
CHEMBL11825 | [C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][N] |
CHEMBL11826 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P] |
CHEMBL11939 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL11940 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][N] |
CHEMBL4559969 | [N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][Ring1][=Ring1][#Branch2] |
CHEMBL11941 | [C][O][C][C][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] |
CHEMBL11942 | [C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O] |
CHEMBL11943 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][N+1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][C][O][C][O][Ring1][=Branch2].[I-1] |
CHEMBL11874 | [C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring2][=O] |
CHEMBL11957 | [C][/C][=C][Branch1][Branch2][\N][C][=Branch1][C][=O][C][Cl][C][=Branch1][C][=O][O] |
CHEMBL11958 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][=Branch2] |
CHEMBL11959 | [C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL11960 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL11894 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11895 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][S] |
CHEMBL11896 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#Branch1] |
CHEMBL11983 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][Ring2][Ring1][N] |
CHEMBL12173 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][O] |
CHEMBL12174 | [C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] |
CHEMBL12175 | [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Branch1][C][O][C][C][=C][Ring2][Rin... |
CHEMBL12176 | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring2] |
CHEMBL12177 | [C][C][S][C][N][=C][Branch2][Ring1][#Branch1][S][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][C] |
CHEMBL12109 | [C][C][=C][C][=C][Branch2][Ring1][S][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][Cl][C][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL12110 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C] |
CHEMBL12111 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=C][C][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12197 | [N][C][=C][C][=C][Branch2][Ring1][N][O][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][N][C][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12198 | [C][C][Branch1][C][N][C][=Branch1][C][=O][O] |
CHEMBL12200 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O] |
CHEMBL12131 | [C][C][=C][C][Branch1][P][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][Branch1][C][I][=C][Ring1][Branch2][O] |
CHEMBL12132 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL12133 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] |
CHEMBL12222 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12223 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=O] |
CHEMBL12224 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][#C][=O] |
CHEMBL12151 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch2][Ring1][N][S][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][#C][=N][C][=Ring2][Ring1][O][S][Ring2][Ring1][=C] |
CHEMBL12152 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] |
CHEMBL12153 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL12242 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=N][C][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][N][=C][Branch1][C][O][C][Branch1][C][O][=N][C][Ring1][Branch2][=C][Ring2][Ring1][C] |
CHEMBL12264 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] |
CHEMBL12267 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][F] |
CHEMBL12268 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL12269 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12201 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL12202 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring1] |
CHEMBL12203 | [C][C][Branch1][C][Cl][C][N][Branch1][C][C][C][C][Branch1][C][C][Cl] |
CHEMBL12291 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL12292 | [C][=C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12225 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL12226 | [C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL1163426 | [C][C][C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring2][Ring2][C][=Branch1... |
CHEMBL12315 | [C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL12316 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][C][O][C][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2] |
CHEMBL12317 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch1][=N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][O][C][Ring1][=N][=N][Ring2][Ring1][C] |
CHEMBL12243 | [C][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL12244 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2] |
CHEMBL12245 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][C][/N][=C][Branch1][C][\N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][O][Ring2][Ring1][Branch1] |
CHEMBL12246 | [C][C][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=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][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12358 | [C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=Branch2] |
CHEMBL12359 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S][C][=C][Ring2][Ring1][=N] |
CHEMBL12360 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2] |
CHEMBL12361 | [C][N][Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] |
CHEMBL12362 | [C][N][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] |
CHEMBL12293 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N] |
CHEMBL12294 | [C][C@@H1][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1].[S][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][C][Ring1][O] |
CHEMBL1163428 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL12017 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][O][C][C][=Branch1][C][=O][O] |
CHEMBL12018 | [O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O] |
CHEMBL12019 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N] |
CHEMBL4560016 | [C][C][N][Branch1][P][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4560017 | [C][C][O][C][=C][C][=C][Branch2][=Branch1][O][/C][=C][/C][=C][C][=C][Branch2][Branch1][#Branch1][S][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ri... |
CHEMBL12318 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL12319 | [C][N][C][C][C][N][C][Ring1][=Branch1][=O] |
CHEMBL12321 | [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][C][=Branch1][C][=O][C][C@@H1][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][Ring1][#C][Ring1][O] |
CHEMBL262396 | [N][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C][=C][C... |
CHEMBL12040 | [O][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N] |
CHEMBL12042 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch2][=Branch1][O][C][=C][N][=C][Branch2][Branch1][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring1][=Branch1][=... |
CHEMBL3309310 | [C][N][N][=C][C][Branch2][#Branch1][O][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C... |
CHEMBL12334 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
CHEMBL4560029 | [C][C][Branch1][C][C][Branch1][C][C][S][C][C][N][C][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O] |
CHEMBL4560030 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring2][=N][O][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][O][C][=C][C][=C][Ring2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring2][C][O][C] |
CHEMBL4560031 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4560032 | [C][N+1][=C][Branch1][S][/C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C].[I-1] |
CHEMBL4560033 | [O][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][#C][NH1][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring2]... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.