chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4292937 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4292938 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][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][#Branch1][C][C][Branch1][C][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][N][=N][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][C] |
CHEMBL4292939 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][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] |
CHEMBL4292940 | [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][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring2][Ring1][#Branch2][=S] |
CHEMBL4293028 | [C][C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][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] |
CHEMBL4293029 | [C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][N+1][Branch1][C][O-1][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][Branch1][C][C][=N+1][Ring2][Ring1][N][O-1] |
CHEMBL4293030 | [N][C][=N][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][C] |
CHEMBL4293031 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][S][/C][=N][/N][=C][/S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4293120 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][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] |
CHEMBL4293121 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][NH1][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][C][Ring1][O][C][=Branch1][C][=O][N][C][C][Ring1][#Branch2][C][N][Branch1][C][C][C][Ring1][Branch1][C][=N][Ring2][Ring1][=N] |
CHEMBL4293122 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4293123 | [C][C][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][=C][Ring1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL4293207 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4293208 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CHEMBL4293209 | [C][C][C][C][C][Branch2][Ring2][Ring1][C][=C][C][=C][O][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4293210 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][S][Ring1][Branch2] |
CHEMBL4293211 | [N][#C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL4293291 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O] |
CHEMBL4293292 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4293293 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N][=C][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4293294 | [F][C][Branch1][C][F][C][=C][N][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4293374 | [F][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1][Cl] |
CHEMBL4293375 | [C][C][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4293376 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][C@H1][C@H1][C][=C][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4293377 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][Ring1][P] |
CHEMBL4293461 | [O][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][Cl][Cl] |
CHEMBL4293462 | [F][C][Branch1][C][F][C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=N] |
CHEMBL4293463 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4293464 | [O][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=N][Ring1][N] |
CHEMBL4293552 | [C][C][Branch1][Ring1][C][#N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][=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][O] |
CHEMBL4293553 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293554 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][P] |
CHEMBL4293555 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4293556 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4293635 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Ring1][=C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4293636 | [C][C][=N][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][C][Branch1][C][O][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293637 | [C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2].[Cl].[Cl] |
CHEMBL4293638 | [N][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4293722 | [C][N][Branch1][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4293723 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
CHEMBL4293724 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C@H1][C@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4293725 | [C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][S][O][C].[Br-1] |
CHEMBL4293726 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][Branch1][C][C][C][O][=C][Branch1][Ring2][C][C][O][S][Ring1][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C] |
CHEMBL4293727 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C@@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293728 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][S][=C][Ring2][Ring1][O][Ring2][Ring1][#Branch1] |
CHEMBL4293817 | [C][C][Branch1][C][C][C][C][C][C@H1][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C][C@H1][Ring1][=Branch1][C@H1][Ring1][O][C][C@@H1][Branch1][C][O][C@@][Ring1][S][Ring2][Ring1][Branch1][O] |
CHEMBL4293818 | [O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch2][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][Ring2][Ring1][Branch2][=S] |
CHEMBL4293819 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] |
CHEMBL4293820 | [C][O][C][=C][C][Branch2][=Branch1][Branch2][C@@H1][C][=C][C][=C][Branch2][Branch1][#Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][=N][Ring2][Ring1][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][Ring2][O][C][O][Ring2][Ring2][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#C][O][C] |
CHEMBL4293821 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Se][Ring2][Ring1][Branch1] |
CHEMBL4293904 | [C][C][N][=N][N][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][#Branch1] |
CHEMBL4293905 | [C][C][=C][C][=C][O][C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293906 | [C][N][C][=N][C][Branch2][Ring1][O][N][C@H1][C@H1][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][N][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][Ring1][=C][=N][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4293907 | [C][N][C][=C][C][Branch1][S][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][N][=C][Ring2][Ring1][Branch2][Ring1][O] |
CHEMBL4293908 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1] |
CHEMBL4293909 | [F][C][=C][C][=C][C][Branch2][Ring2][S][C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=N][C][=N][C][C][=C][Branch1][S][C][#C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=N][Ring1][=Branch2][S][C][Ring2][Ring1][Ring2][=Ring1][S][C][=C][Ring2][Ring1][O][Cl][=C][Ring2][Ring2][Ring2] |
CHEMBL4288946 | [C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4288947 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][Branch1][O][C][S][C][C][Branch1][C][C][=C][Ring1][O][N][Ring2][Ring1][Branch1][C][C] |
CHEMBL4288948 | [C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4288949 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Branch2][Ring1][P][N][C][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch1][Ring1][S][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4288950 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=N][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][=Branch2][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][#Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][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@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
CHEMBL4289030 | [C][O][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] |
CHEMBL4289031 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][N][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][O][C][C][C][Ring1][Ring1] |
CHEMBL4289032 | [C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][=C][Ring1][=C][=N][C][=N][Ring2][Ring1][Branch1] |
CHEMBL4289033 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4289111 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][C][=N][C][Branch1][Branch1][C][C][C][O][=N][N][Ring1][=Branch2][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4289112 | [C][C][=N][C][=C][Branch2][Ring2][C][C][C][=C][S][C][Branch2][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C][C][Branch1][C][N][=N][Ring2][Ring1][N] |
CHEMBL4289113 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289114 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][S][C][=N][C][=Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL4289188 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][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][=C] |
CHEMBL4289189 | [C][N][Branch2][Ring2][#C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][F] |
CHEMBL4289190 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4289191 | [O][=C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] |
CHEMBL4289192 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][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][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][S][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C@][Ring2][Branch1][#Branch2][Branch1][C][C][O] |
CHEMBL4289193 | [N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4289275 | [O][=C][C][=N+1][Branch1][C][O-1][C][=C][N][Ring1][#Branch1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2] |
CHEMBL4289276 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL4289277 | [N][C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4289278 | [C][=C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch2][Ring2][C][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Ring2][Ring2][#Branch1] |
CHEMBL4289279 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][Ring2][Ring1][#Branch1][C][C@H1][Ring2][Ring1][#C][Ring2][Ring1][O] |
CHEMBL4289280 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4289281 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][=Branch2][Cl][=C][Ring2][Ring1][P] |
CHEMBL4289282 | [C][C][N][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring2][Ring2] |
CHEMBL4228861 | [N][#C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4228862 | [O][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][Branch2][Ring1][O][N][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][Branch1][C][O][C][Branch1][C][O][=C][Ring2][Ring1][P][Ring2][Ring1][Branch2] |
CHEMBL4228863 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][=C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][N][=C][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4228941 | [O][C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][=N] |
CHEMBL4228942 | [C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C][=C][Ring1][=N][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O] |
CHEMBL4228943 | [C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@][Branch1][C][C][C@H1][Ring1][=Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][#C][C] |
CHEMBL4228944 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][Ring1][=N] |
CHEMBL4228945 | [C][#C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#Branch2][F] |
CHEMBL4228946 | [C][O][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4228947 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][\C][C][C@@][Branch1][C][C][O][C@H1][Ring2][Ring1][#Branch2][Ring1][Ring2] |
CHEMBL4229029 | [C][=C][C][C@][C][C@@][Ring1][Branch1][Branch1][C][O][C][C][C@@H1][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@H1][Ring1][#C][C][N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=N][Ring1][=N] |
CHEMBL4229030 | [C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][Ring2][Ring1][C] |
CHEMBL4229031 | [F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4229032 | [Cl][C][=C][C][=C][Branch2][Branch1][C][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][N][=C][N][=C][Ring2][Ring1][Ring2][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4229033 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][Ring1][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][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][Ring2][Branch1][=N] |
CHEMBL4229034 | [C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][C][C][N][C][C][N][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring1][P] |
CHEMBL4229128 | [C][O][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][Branch1][C][=C][C][=C][C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][C][Ring2][Ring1][Ring2][=Ring1][S][N][=C][Ring2][Ring1][=Branch2][C] |
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