chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4244667 | [C][C][=C][C][=C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][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][=C][Ring2][Ring2][Ring1] |
CHEMBL4244672 | [C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4244680 | [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][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4244994 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][P][=C][Branch1][C][C][C][Ring2][Ring2][C][=Ring2][Ring1][#Branch2] |
CHEMBL4244998 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring1][#Branch2][=O][C@H1][Ring2][Ring1][Branch2][S][C][Ring2][Ring1][#C] |
CHEMBL4245000 | [C][C][C][C][C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][Branch1][C][C][=N][Ring1][S] |
CHEMBL4245001 | [C][#C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL4245006 | [C][C][C][C][N][Branch2][Ring2][#C][C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][N][Ring1][#C][C][=Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring1] |
CHEMBL4245007 | [O][=C][Branch2][Ring1][=N][C][C][C][C][C][C][N][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=O][N][O] |
CHEMBL4245008 | [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][S][=C][\C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2].[I-1] |
CHEMBL4245257 | [O][=C][Branch2][Ring2][Branch2][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][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4245260 | [C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=N][N][C][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][Ring1][Branch1][C][O][/N][=C][/C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245261 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][O] |
CHEMBL4245263 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4245266 | [C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4245268 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][Ring1][C][N][=N][C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring1][=C][Ring1][P] |
CHEMBL4245579 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4245580 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][C@@H1][Branch1][C][O][C][=C][C@][Ring1][#Branch2][Ring1][#Branch1][C][C][N+1][Branch2][Ring1][#Branch2][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring2][C].[Br-1] |
CHEMBL4245581 | [O][=C][Branch2][Ring2][C][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][C] |
CHEMBL4245584 | [C][C][Branch1][C][C][=C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][S] |
CHEMBL4245585 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C] |
CHEMBL4245587 | [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][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][Ring2][P][=O] |
CHEMBL4245589 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][N][C@@][Ring2][Ring2][#Branch2][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4245590 | [C][N][C][=C][Branch2][Ring2][=Branch2][C][=C][Branch2][Ring1][#Branch1][C][=C][N][Branch1][Branch2][C][C][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring2][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][P] |
CHEMBL4245855 | [N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4245858 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] |
CHEMBL4245861 | [N][C][C][C][C][N][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4245863 | [C][O][C][=N][C][=C][Branch2][Ring2][=N][C][=C][C][Branch2][Ring1][=Branch2][O][C][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][Ring1][=C][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4245865 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][N][C][C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][C][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4245867 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4245870 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245874 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][=N][C][O][C][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4246151 | [O][=C][Branch1][P][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][S][Ring1][Branch1][/C][=C][/C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][S][Ring1][Branch1] |
CHEMBL4246158 | [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][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4246159 | [C][N][C][=C][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][=N][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL4246163 | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4246399 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=C] |
CHEMBL4246401 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4246404 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][=N][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4246408 | [O][=C][N][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][=C] |
CHEMBL4246409 | [C][=C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4246412 | [C][C][=C][C][=C][Branch2][Branch1][=C][C][=C][C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][=N][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4246422 | [C][O][C][=N][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][O][Ring1][S][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] |
CHEMBL4246694 | [N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4246697 | [C][O][C][=C][C][Branch2][Ring1][S][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][N][C][=N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4246701 | [C][O][C][=C][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][Ring2][O][C] |
CHEMBL4246702 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4246705 | [C][C][C][C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][Branch1][C][C][=N][Ring1][S] |
CHEMBL4246716 | [C][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][P][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#C][Branch1][C][C][C] |
CHEMBL4246725 | [C][O][C@H1][/C][=C][\C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][/C][=C][/C][C][C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring1][Ring1][O][=C][Branch2][Ring2][Ring1][C][C@@H1][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Ring2][Branch1][=Branch2][O][C][Branch1][C][N][=O][C][Ring2][Branch1][Branch1][=O] |
CHEMBL4246728 | [C][C][C][C][C@H1][C][C][C][C][C][C@@H1][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][Branch1][C][O][=C][Ring1][Branch2][C@@H1][Branch1][=Branch1][C][C][C][C][O][C][C][C][C][C][C@@H1][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Ring2][Ring2][C][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4247011 | [C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring2][C][C][#N][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4247017 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4247027 | [C][C][=C][C][Branch2][Ring2][O][S][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][Ring2][Ring1][#C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4247028 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1][O] |
CHEMBL4247030 | [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][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][N][=N][Ring2][Ring1][C] |
CHEMBL4247031 | [C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][=Branch2][C][C][C@@][Ring1][=Branch1][Ring1][=Branch2][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C@H1][Ring1][P][C][C@H1][Ring2][Ring1][=Branch2][O] |
CHEMBL4247033 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][P][C][C][=C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C][C@@H1][Ring2][Ring1][=Branch2][C][C][Branch1][Ring1][C][=O][=C][Ring2][Ring1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4247040 | [C][C][=C][C][=C][C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][Ring1][S][=N][N][Ring2][Ring1][Ring1][C][C][C][C][C][Ring1][Ring2] |
CHEMBL4247286 | [O][=C][Branch2][Ring1][Branch1][N][/N][=C][/C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] |
CHEMBL4247287 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][Branch2][=O] |
CHEMBL4247291 | [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@@H1][Branch1][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][=C][=O] |
CHEMBL4247294 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Branch2] |
CHEMBL4247296 | [O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][O][Ring1][Branch1][O][Ring2][Ring1][Branch1] |
CHEMBL4247298 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4247302 | [N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4247645 | [N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL4247646 | [C][O][C][=C][C][Branch2][Ring1][=C][N][C][=N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4247649 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4247657 | [C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C@@H1][Branch1][C][C][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][Branch2][Ring1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][S][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
CHEMBL4247660 | [C][O][C@H1][C][C@H1][Branch2][Ring2][O][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][=N][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL4247662 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4247936 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][=C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][S][Ring1][Branch2] |
CHEMBL4247937 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4247938 | [O][=C][N][=C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][C][Ring1][P][S][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring2][C][Ring1][=N] |
CHEMBL4247939 | [C][C][=C][C][=C][N][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=N][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4247940 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][N][=C][Ring2][Ring1][=Branch1] |
CHEMBL4248225 | [O][C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4248226 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring1][N][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4248228 | [N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4248236 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch2][N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4248476 | [N][#C][C][=N][C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4248482 | [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][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4248484 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][C] |
CHEMBL4248488 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][P] |
CHEMBL4248775 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][=C][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][P][=N][Ring2][Ring1][O] |
CHEMBL4248778 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4248783 | [C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][O][Ring1][P] |
CHEMBL4248785 | [C][C][C][=C][C][=Branch1][#C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C@@][Ring1][O][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4248789 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4248790 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=O][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] |
CHEMBL4249019 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4249022 | [C][C][C][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][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4249026 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][Branch1][C][=N][C][Branch1][N][N][C][C][C][Branch1][Ring1][N][C][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4249281 | [C][C][Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4249282 | [C][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] |
CHEMBL4249284 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#Branch1][N][C][=N][C][=N][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][Branch1][Ring1][P][C][C][Ring2][Ring1][N] |
CHEMBL4249291 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Branch2][=N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][Branch2][#Branch1][#Branch1][C][=C][C][=C][Branch2][=Branch1][O][C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring2][S][C][=C][N][=C][NH1][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][=C][F][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][P][C][=C][Ring2][Branch1][#Branch2][Ring2][Branch1][#Branch1][=C][Ring2][=Branch1][Ring1][F] |
CHEMBL4249292 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][=C][Branch1][C][C][C][Ring2][Ring1][S][=Ring2][Ring1][Branch2] |
CHEMBL4249593 | [C][S][C][C][C@H1][Branch2][Ring2][=N][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][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Ring1][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][=Branch1][C][=O][O][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][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
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