chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL10733 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL10734 | [C][C][=Branch1][C][=O][O][C][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10673 | [O][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL10674 | [C][O][C@H1][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][O] |
CHEMBL10675 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2] |
CHEMBL10676 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P] |
CHEMBL10613 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][Ring2][C][C][N][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Ring1] |
CHEMBL10614 | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=C][Ring1][#C][O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL10615 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][O][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][Ring2][Ring1][C][=O] |
CHEMBL10616 | [O][=C][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][=Branch2] |
CHEMBL3310093 | [C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL10635 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL10636 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL10637 | [C][=C][C][Branch2][Ring1][Ring1][C][N][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][C][C][N][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][O] |
CHEMBL10638 | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Ring2][Ring1][Ring2][C] |
CHEMBL10735 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][S][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C... |
CHEMBL10736 | [Cl][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL10737 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C@H1][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C@][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ri... |
CHEMBL10817 | [C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10818 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL10819 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL10756 | [C][C][=C][C][=C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][O] |
CHEMBL10757 | [C][O][C][=C][C][=C][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][O][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL10758 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][Ring1][=Branch1][C][C][C][N][C][Ring1][#Branch1] |
CHEMBL10759 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][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][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=... |
CHEMBL10760 | [O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL10761 | [C][O][C][C][#C][C][C][Branch2][Ring2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][O] |
CHEMBL10844 | [C][C][O][C][C][O][C][C][N][Branch2][Ring2][C][C][C][C][C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL10691 | [O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][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] |
CHEMBL1163333 | [C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=N][/C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL10692 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Branch1] |
CHEMBL10693 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][Branch1][C][C][C][N][=C][Ring1][N] |
CHEMBL1163334 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branc... |
CHEMBL1163342 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Branch1][Ring2][/C][=N][/N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][N][C][C@H1][Branch1][C][O][C@@][Ring1][#Branch1][Ring1][#Branch2][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][Branch2][C][C@H1]... |
CHEMBL10709 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][C@H1][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL10710 | [N][C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL10711 | [O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL10712 | [O][=C][Branch2][Ring1][#Branch2][O][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10820 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] |
CHEMBL10821 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CHEMBL10901 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL10838 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=N][Ring1][=N] |
CHEMBL10839 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring1][P] |
CHEMBL10840 | [C][C][=C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL10841 | [C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL10843 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL10778 | [C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O] |
CHEMBL10779 | [C][=C][C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][O][C][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL10780 | [N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10781 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O... |
CHEMBL10782 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][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] |
CHEMBL10801 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][=N].[C][N+1][Branch1][C][C][Branch1][C]... |
CHEMBL10802 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL10803 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][S][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][=... |
CHEMBL10804 | [N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C] |
CHEMBL10902 | [C][S][C][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1] |
CHEMBL10903 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][S][=C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL10904 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][=N] |
CHEMBL10657 | [C][C][C@@H1][C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][N][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL11010 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][S][C][C][C][=N][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL11101 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][S][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][=C] |
CHEMBL11104 | [C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][NH1][C][=Ring1][N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL11105 | [C][O][C][=C][C][Branch1][#C][C][C][Branch1][C][C][N][C][C][C][N][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][I] |
CHEMBL10859 | [O][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10860 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL10861 | [N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL10862 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][/C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O]... |
CHEMBL10863 | [C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][C@H1][Branch1][Branch1][C][C][Ring1][=C][N][Ring1][#Branch1] |
CHEMBL10879 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=C][NH1][Ring1][=Branch1][C][=C][Ring1][N][Br][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL10880 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N] |
CHEMBL10881 | [O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring1][#C] |
CHEMBL10658 | [O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring1][P] |
CHEMBL10659 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][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][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][=C]... |
CHEMBL10661 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P] |
CHEMBL10664 | [O][=C][Branch2][Ring1][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL10739 | [C][C][Branch2][Ring1][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10924 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL10925 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C] |
CHEMBL10926 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL10927 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] |
CHEMBL10928 | [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C] |
CHEMBL10617 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][=N][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Ring2][Ring1][=C][C] |
CHEMBL10618 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C][C][Ring1][=Branch1][C][O] |
CHEMBL10619 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][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][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][=C][Ring1][#Branch2][S][C][C... |
CHEMBL1163328 | [C][C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1]... |
CHEMBL10620 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][N][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL10621 | [C][C][Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10639 | [O][=C][Branch1][C][O][C][C][/C][=C][\C][C@H1][C@H1][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][O][Ring1][P] |
CHEMBL4559967 | [C][N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][Ring1][=Branch1] |
CHEMBL1163330 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring2][Ring1][Ring1][=C][Ring1][#C][Ring1][O] |
CHEMBL10640 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][O][C][C][Ring2][Ring1][=Branch1] |
CHEMBL10641 | [C][C][C][#C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][#C][C@@H1][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Branch1][Branch1][C][O][Ring1][P][C@H1][Ring2][Ring1][Ring1][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O] |
CHEMBL10740 | [C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C] |
CHEMBL10741 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Ring1][S] |
CHEMBL10742 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Branch2][C][/C][=N][/O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
CHEMBL494 | [C][C][#C][C][C][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C@@H1][C@H1][C][/C][=Branch1][#Branch2][=C][/C][C][C][C][=Branch1][C][=O][O][C][C@H1][Ring1][N][C][C@H1][Ring1][#C][O] |
CHEMBL11007 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][C@H1][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring1]... |
CHEMBL1163355 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Branch1][C][S][C][C][=Branch1][P][=N][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=C][C][=C][Ring... |
CHEMBL11009 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N] |
CHEMBL10695 | [C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][Ring1][C][F][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][S][Ring1][=N] |
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