chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4290115 | [C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4290116 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Ring2][Ring1][C][=Ring1][=N] |
CHEMBL4290117 | [C][C][Branch1][C][C][C][=C][C@H1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][C][C@@][Ring2][Ring1][=Branch2][Branch1][C][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][C][C@@][Ring2][Ring2][Ring1][Branch2][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O][C][C][Ring2][Ring2][P][=O] |
CHEMBL4290200 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4290202 | [C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][C][=C][N][N][=C][N][=C][Branch2][Ring1][N][N][C@H1][C][C][C@H1][Branch1][P][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][C][C][Ring1][S][C][=Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1] |
CHEMBL4290203 | [C][C][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][#Branch1][=Branch1][=O] |
CHEMBL4290204 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][/C][=N][/N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1] |
CHEMBL4290205 | [C][C][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1] |
CHEMBL4290283 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4290284 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4290285 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring1][P][=N][C][C][=C][N][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring2][=Ring1][=C] |
CHEMBL4290286 | [O][=C][C][=C][Branch1][C][O][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][#C] |
CHEMBL4290287 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\C][C][C][/C][=Branch1][O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4290374 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=C][O][C][C][=N][N][=C][Branch1][Ring1][S][C][O][Ring1][#Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C] |
CHEMBL4290375 | [C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Ring1][P][C][=Branch1][C][=O][O] |
CHEMBL4290376 | [C][C][Branch1][C][C][=C][C][C@@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C][C][C][C][C@@H1][C][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][=N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL4290377 | [C][C@@][Branch1][Ring2][N][C][#N][C][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4290378 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][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][Branch2][=N][=Branch2][C][C][C][N][C][=C][Branch2][N][O][C][O][C][C][=C][N][Branch2][O][=N][C][C][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=Branch1][Branch2][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][#Branch1][#Branch1][C][N][=N][Ring2][#Branch1][S][N][=N][Ring2][Branch2][Branch2][N][Branch1][C][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][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][N][C][Ring2][=N][#C][=O] |
CHEMBL4290379 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CHEMBL4290472 | [C][C][C][C][C][C][Branch1][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][Branch1][Ring2][C][Ring1][N][C][Ring1][#C] |
CHEMBL4290473 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@H1][Branch1][=C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4290474 | [C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=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][=Branch1] |
CHEMBL4290475 | [O][=C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4290546 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][N][=C][C][=N][Ring1][=Branch1] |
CHEMBL4290547 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4290548 | [C][C][O][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring2][S][C][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch1] |
CHEMBL4290549 | [C][O][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][=Ring1][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4290550 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4290551 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C@][Ring2][Ring1][O][Ring2][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][N][=O] |
CHEMBL4290552 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4290553 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][S][C][=C][S][C][Branch2][Ring1][Branch1][N][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4290633 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][C][=Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290634 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch2][Ring1][Ring1][C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4290635 | [C][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][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][N][C][=Branch1][C][=N][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch1][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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4290636 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][=C][Ring2][Ring1][C] |
CHEMBL4290637 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][/C][Branch1][C][C][=C][/C@H1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C@][Ring1][#C][Branch1][C][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][/C][=C][/C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][=Branch1][O][C][Branch1][C][C][=O] |
CHEMBL4290638 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][\C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] |
CHEMBL4290723 | [C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][Ring1][C][Branch1][C][O][=C][Ring1][Branch2][C][/C][=C][Branch1][C][\C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch2] |
CHEMBL4290724 | [N][C@H1][C][C][C@H1][Branch2][Ring2][Branch1][C][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][N] |
CHEMBL4290725 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290726 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring2][Ring2] |
CHEMBL4290727 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4290729 | [C][O][C@@H1][O][C@H1][Branch2][Ring2][O][C][N][Branch1][=C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][S][O] |
CHEMBL4290813 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4290814 | [C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4290815 | [N][=C][Branch1][Ring1][C][Cl][N][C][C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] |
CHEMBL4290816 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][N][C][=O][=C][Ring1][=Branch2][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch2][C][C][C][Branch1][C][C][C] |
CHEMBL4290817 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4290911 | [N][C][O][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4290912 | [C][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][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][=N][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4290913 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch2][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4290914 | [O][=C][Branch2][Ring2][Ring1][N][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] |
CHEMBL4290915 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4290916 | [C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4291006 | [C][C][C][C][N][C][=N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][=N] |
CHEMBL4291007 | [C][C][=C][C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][C][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring2][=Ring1][#C][=C][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4291008 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][=C][C][=C][Ring1][Branch1][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4291009 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][C][=C][Ring2][Ring1][S] |
CHEMBL4291097 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][Ring2][Ring1][Branch1] |
CHEMBL4291098 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][C][O] |
CHEMBL4291099 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring2][C] |
CHEMBL4291100 | [C][C][=C][C][=C][Branch2][Branch1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][#C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=O][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4291101 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][O][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][=C][O][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4291102 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4291190 | [N][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][S][S][S][S][S][Ring1][#Branch1] |
CHEMBL4291191 | [C][C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4291192 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C][S][C][=Branch1][C][=S][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291193 | [C][N][Branch1][C][C][C][C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=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][O] |
CHEMBL4291194 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] |
CHEMBL4291195 | [C][C][=Branch1][C][=O][O][C@@][Branch2][#Branch1][O][C][/C][Branch1][C][C][=C][Branch1][C][/O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@@][Branch1][C][O][Branch2][Ring1][Branch1][C@H1][Ring2][Ring1][P][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring2][Branch1][Branch1][C][C][C][C][O][C@H1][Ring2][Branch1][C][C][C][O] |
CHEMBL4291270 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
CHEMBL4291271 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4291272 | [C][C][=C][C][=C][Branch2][Ring1][=C][C@H1][C][C@@H1][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][P][C][=C][C][=C][N][=C][Ring2][Ring1][O][Ring1][=Branch1] |
CHEMBL4291273 | [F][C][=C][C][=C][C][=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] |
CHEMBL4291274 | [C][C][Branch1][C][C][=C][C][C@@][Branch1][C][C][C][=Branch1][=Branch1][=C][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C][C][C@@H1][Ring1][O][C] |
CHEMBL4291353 | [C][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][/C][=Branch1][Ring1][=N][\O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4291354 | [C][C][O][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][Branch2][Ring2][S][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1] |
CHEMBL4291355 | [C][O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4291356 | [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][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][#C] |
CHEMBL4291357 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4291358 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4291435 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4291436 | [C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch1][#Branch2][N][C][C][O][C][C@H1][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] |
CHEMBL4291437 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C] |
CHEMBL4291438 | [C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][O][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][P][C@@H1][C][C][Branch1][C][C][Branch1][Ring1][O][O][C][=C][C@H1][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][N] |
CHEMBL4291439 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][=N][N][C][=Branch1][#C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C][=N][Ring2][Ring1][#Branch1] |
CHEMBL4291440 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Branch1][Ring1][C][Branch2][Ring2][=Branch2][C][N][C][C][C][N][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][C][C][Ring2][Ring1][N][C][C][Ring2][Ring2][C] |
CHEMBL4291521 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][C][Branch1][=C][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][O][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4291522 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Branch2][#Branch2][C][=Branch1][C][=O][O][C@H1][C@H1][C@][Branch1][C][C][Branch2][=Branch1][Branch2][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][C@][Ring2][Ring2][Ring2][Branch1][C][O][C][Ring2][Ring1][=C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@][Ring1][Ring2][Ring2][Ring2][=C][O][C][Branch1][C][C][=O][=C][Ring2][Branch1][=C] |
CHEMBL4291523 | [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] |
CHEMBL4291524 | [C][N][C][C][N][Branch2][Ring2][P][C][C][#C][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][N][=C][N][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][Ring1] |
CHEMBL4291525 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][N][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4291526 | [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][NH1][Ring2][Ring1][Ring2] |
CHEMBL4291527 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][O][Branch1][C][=C][C][=C][C][Branch2][#Branch2][=Branch2][O][C][C][O][C][C][N][C][=C][Branch2][=Branch2][Branch2][C][N][Branch2][Branch1][#Branch2][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][N][=N][Ring2][=Branch1][P][=C][Ring2][#Branch1][=N][O][C][=C][C][=C][C][=C][Ring2][Branch2][#C][Ring1][=Branch1] |
CHEMBL4291604 | [C][C][N][Branch1][Ring1][C][C][C][C][C][C][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4291605 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] |
CHEMBL4291606 | [C][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4291607 | [O][=C][Branch2][Ring2][N][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][F][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][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291608 | [C][O][C][=N][C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][C][=C][Ring1][#C][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][Ring1] |
CHEMBL4291688 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][S][C][=Branch1][C][=S][N][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
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