chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4245472 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][C][/C][Branch1][C][C][=N][\O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][=Branch2][Branch1][C][C][C] |
CHEMBL4245479 | [C][C][C][C][N][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][S][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][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4245766 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][=C][O] |
CHEMBL4245767 | [C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245774 | [O][=C][Branch2][Ring2][P][C][N][C][C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245780 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4245789 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Branch1][C][O][=C][Ring2][Ring1][Ring2] |
CHEMBL4245802 | [C][C][C][=C][C][=Branch2][Branch1][Ring1][=N][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][S][Ring2][Ring1][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring2][#Branch1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL4246056 | [Br][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4246060 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4246062 | [C][C][N][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][P][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4246069 | [C][C][=C][C][=C][Branch2][Ring1][O][O][C][=N][C][Branch1][C][N][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4246071 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4246329 | [N][#C][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] |
CHEMBL4246334 | [C][O][C@H1][C][C@H1][Branch2][Branch1][C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][#C][C][=C][C][Branch1][C][F][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O][C][Ring2][Ring1][S] |
CHEMBL4246335 | [C][C][=C][C][Branch1][#Branch2][O][C][C][O][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][C][C][=C][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][N][=C][Ring2][Ring1][Ring2] |
CHEMBL4246337 | [C][O][C][=C][Branch1][C][Cl][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4246600 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][O][C][=N][C][=C][Branch1][S][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=N][C][O][C][Ring1][=C][C][Ring2][Ring1][Branch1][N][=C][Ring2][Ring1][=C] |
CHEMBL4246607 | [C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][O][C][=Branch1][C][=O][O][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][P][Ring1][O][=C][Branch1][C][C][C][Ring2][Ring1][P][=O] |
CHEMBL4246611 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][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][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C@@H1][Branch1][C][C][O][C][C][N][C][Ring2][#Branch1][=C][=O] |
CHEMBL4246612 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][Branch1][Ring2][=O] |
CHEMBL4246623 | [C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][P][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4246625 | [C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4246922 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4246923 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][Branch2][C][Branch1][Ring1][C][O][C][O][=N][C][Ring1][P][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][O] |
CHEMBL4246927 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][S][Ring1][N][S][C][Ring2][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4246930 | [C][O][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][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL4247204 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch1].[I-1] |
CHEMBL4247206 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C] |
CHEMBL4247210 | [O][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247213 | [C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N] |
CHEMBL4247543 | [C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL4247544 | [C][=C][Branch1][C][C][C@H1][C][C@H1][C][=Branch1][C][=C][C][C][C][C@][Ring1][#Branch1][Branch1][C][C][C][C@@H1][Ring1][N][O] |
CHEMBL4247545 | [Cl][C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4247551 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@@][Branch1][C][C][Branch2][Branch1][O][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][=N][=O] |
CHEMBL4247553 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4247554 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][C][C][C][C][N][C][=Branch1][C][=S][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247845 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][=C][Ring1][O] |
CHEMBL4247847 | [C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4247850 | [C][C][C][C][N][Branch2][Ring2][P][C][C][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][S][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4247851 | [C][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][S][Ring2][Ring1][Ring2] |
CHEMBL4248109 | [O][=C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][S][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4248116 | [C][=C][O][C][Branch2][Ring2][#Branch1][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][O] |
CHEMBL4248118 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][O][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4248119 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4248121 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4248125 | [C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4248133 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][=C][/C][=C][/C][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][C][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4248378 | [C][N][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] |
CHEMBL4248386 | [C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][#Branch1][=C][Ring2][Ring1][Ring2][C] |
CHEMBL4248387 | [C][O][C][=N][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#C][N][C][C][N][Branch1][Branch1][C][C][C][O][C][C][Ring1][#Branch2][C][O][Ring1][P][C][=C][Ring2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4248388 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4248394 | [N][N][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4248397 | [C][C][Branch1][C][C][C][C@@H1][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][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][Branch1][C][C][C][N][C][Ring2][Ring2][S][=O] |
CHEMBL4248398 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][Ring1][=C][Ring2][Ring1][Ring1] |
CHEMBL4248664 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=N] |
CHEMBL4248670 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][C] |
CHEMBL4248671 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][C][Ring2][Ring2][Ring2] |
CHEMBL4248673 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][Ring2][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C@][Ring1][=N][Ring2][Ring1][Ring1][C][O][Ring2][Ring1][#C] |
CHEMBL4248676 | [O][=C][Branch2][Ring2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][N][O] |
CHEMBL4248681 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4248688 | [O][=C][O][C][C][=C][Ring1][Branch1][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4248916 | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4248917 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][=Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C][C@H1][Branch2][Ring1][Branch1][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@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring2][Branch2][C][C][C@@][Ring2][Ring2][N][Branch1][C][C][C@][Ring2][Ring2][P][Branch1][C][C][C][C][Ring2][Branch1][N][N][=N][Ring2][=Branch1][Branch1] |
CHEMBL4248925 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][O][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248926 | [C][C][Branch1][C][C][=C][C][C@@][C][C@H1][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C@@H1][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4248936 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4249208 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=N] |
CHEMBL4249213 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4249215 | [C][=C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Ring2][#C][=C][C][NH1][C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=Branch2][C][=C][Ring2][Ring1][C][NH1][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][C@@H1][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring2][N][C] |
CHEMBL4249217 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] |
CHEMBL4249219 | [O][=C][Branch1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][O] |
CHEMBL4249485 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=Branch2][Ring1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4249491 | [O][=C][Branch2][Ring1][Branch1][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4249492 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][P][N][N][=C][Branch1][=C][C][C][=N][N][Branch1][Branch1][C][C][O][C][C][=Ring1][=Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch2] |
CHEMBL4249496 | [C][#C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Branch1] |
CHEMBL4249775 | [C][N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2][=O][C][=Branch1][C][=O][O][C][Ring2][Ring1][C] |
CHEMBL4249776 | [C][O][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4249778 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4249779 | [F][C][=C][C][=C][C][Branch2][Ring2][C][C][N+1][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O].[Cl-1] |
CHEMBL4249782 | [O][=C][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4249783 | [O][=P][Branch1][#Branch2][C][C][C][C][C][C][N][=C][=S][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250025 | [C][N][C][=N][C][=C][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4250026 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][=N] |
CHEMBL4250027 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4250045 | [C][C@@][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4250048 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4250057 | [C][C][C][=C][C][=Branch2][Branch1][Ring2][=N][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][P][Ring2][Ring1][=N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL4250062 | [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4250302 | [C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4250303 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][C][C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][N] |
CHEMBL4250305 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][S][C][S][C][=Branch1][C][=S][N][C][C][P][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4250311 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring2][C][C][N][N][=C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][#C][=O] |
CHEMBL4250314 | [C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][O][C][Ring1][O][=Ring1][#Branch1][C][C][N][Branch1][P][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][C] |
CHEMBL4250596 | [C][C][O][C][=C][C][=N][N][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C] |
CHEMBL4250602 | [C][C][=N][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][#Branch2][Ring1][=N] |
CHEMBL4250607 | [N][=C][Branch1][C][N][N][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][F][C][=Branch1][C][=O][O][C][=C][Ring1][O] |
CHEMBL4250610 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][S][S][C][C@H1][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][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][Branch1][C][N][=O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][#Branch1][=O] |
CHEMBL4250615 | [C][C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4250942 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
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