chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4249595 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O] |
CHEMBL4249598 | [C][C][C][=C][C][=Branch2][Branch1][Branch1][=N][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C][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] |
CHEMBL4249603 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4249605 | [N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4249607 | [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][Cl][C][=C][Ring1][#Branch1][O][Ring1][S] |
CHEMBL4249612 | [C][C][C][=N][N][Branch2][Ring2][Branch1][C][C][C][C][C][S@+1][Branch1][C][O-1][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][=Ring2][Ring1][=N][C] |
CHEMBL4249857 | [C][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] |
CHEMBL4249859 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][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][#Branch2][C@@][Ring2][Ring2][Branch2][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4249862 | [O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][O][O][C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1] |
CHEMBL4249865 | [C][N][C][C][N][Branch2][Branch1][=Branch2][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][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring2][#Branch2] |
CHEMBL4249870 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][N][C][C][C][=Branch1][#C][=N][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4249871 | [C][O][C][=C][C][Branch2][Branch1][Branch2][C@@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][O][C][C][C][C][O][C][C][C][N][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][S][O][C][O][Ring2][Ring1][S][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][O][O] |
CHEMBL4249872 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring2][C][C][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] |
CHEMBL4249879 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][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] |
CHEMBL4250132 | [C][O][C@H1][C][C@H1][Branch2][Ring2][#C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][N][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][P][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C] |
CHEMBL4250135 | [C][C][=C][C][Branch1][N][O][C][C][C][C][O][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][C][C][=C][Ring1][S][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] |
CHEMBL4250136 | [Cl].[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][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][Ring1] |
CHEMBL4250137 | [C][C][=C][C][Branch2][Branch1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][N][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][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][S][=N][O][Ring2][Ring2][=Branch2] |
CHEMBL4250140 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][O][C][Branch2][Ring1][S][S][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][=N][C][Ring2][Ring1][=C][=Ring2][Ring1][#Branch2] |
CHEMBL4250378 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][N] |
CHEMBL4250379 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4250380 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][C][=Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N][C][=N][Ring2][Ring2][Ring1] |
CHEMBL4250382 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] |
CHEMBL4250383 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4250689 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4250694 | [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][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4250699 | [C][O][C][C][=C][N][C][=C][Branch1][#C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][=Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][P][=O] |
CHEMBL4250704 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][O] |
CHEMBL4250711 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Br-1] |
CHEMBL4250729 | [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][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring2][Branch1] |
CHEMBL4251022 | [C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][S][C][Branch1][C][C][C][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][O] |
CHEMBL4251023 | [C][C][C][=Branch1][C][=O][N][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][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][P] |
CHEMBL4251024 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][C][C][C][=N][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=C] |
CHEMBL4251025 | [C][C][C][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch1][C][O][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S] |
CHEMBL4251324 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][=N][O][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
CHEMBL4251326 | [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][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N] |
CHEMBL4251334 | [Cl][C][=N][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][=Branch2] |
CHEMBL4251335 | [C][C][C][C][N][Branch2][Ring2][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4277346 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][/N][=C][Branch1][Ring1][\C][#N][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][Ring2][Ring1][=Branch2][O] |
CHEMBL4277347 | [O][=C][C][C][C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277348 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] |
CHEMBL4277349 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][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][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4277436 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][S][C][=C][N][Ring1][#C][Ring1][Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL4277437 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][/C][=Branch1][S][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][C][Ring1][P][=S][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4277438 | [C][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][S][O] |
CHEMBL4277439 | [O][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][=N][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][=N][Ring1][O] |
CHEMBL4277520 | [O][=C][Branch1][#C][/C][=C][\N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] |
CHEMBL4277521 | [C][C][Branch1][C][O][C][C][=N][S][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=N] |
CHEMBL4277522 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][N][Branch1][C][C][N][=C][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][F] |
CHEMBL4277523 | [Cl][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277524 | [C][C][O][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][P][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4277525 | [C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][F][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C][C][C][C][C][Ring1][Branch1] |
CHEMBL4277605 | [C][C][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Branch1][C][N][N][=C][Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL4277606 | [C][C][C][C][C][C][=C][N][Branch2][Ring1][=Branch1][C][/C][=C][Branch1][C][/C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][N][=N][Ring2][Ring1][Ring2] |
CHEMBL4277607 | [C][C][N][C][Branch1][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][O][=C][C][=C][Ring1][N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4277608 | [O][=C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O] |
CHEMBL4277609 | [O][=C][Branch2][Ring1][Ring2][N][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][B][Branch1][C][O][O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4277694 | [C][N][C][Branch2][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][=N][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][N][=C][Ring2][Ring1][Branch2][N+1][=Branch1][C][=O][O-1].[I-1] |
CHEMBL4277695 | [C][C][Branch1][C][C][C][C@H1][N][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N] |
CHEMBL4277696 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][/C][=C][\N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C] |
CHEMBL4277697 | [C][C][C@H1][Branch1][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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][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][=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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=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][=N][C][C][=C][C][=C][Branch1][C][O][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][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][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][N][C][=Branch1][C][=N][N][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][=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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][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][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4277698 | [C][C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4277770 | [O][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][O] |
CHEMBL4277771 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][Branch2][Branch1][C][C][O] |
CHEMBL4277772 | [C][C][S][C][Branch2][Ring1][=Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][O][=C][C][=Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][S][Ring1][=Branch1].[Cl] |
CHEMBL4277773 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][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] |
CHEMBL4277775 | [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][=C][Ring1][=N][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][C][C][C][C][C][Ring2][Ring2][Branch2] |
CHEMBL4277776 | [C][S][C][=C][C][=C][Branch2][=Branch2][=Branch2][O][P][=Branch1][C][=O][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C@@H1][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N+1][Ring1][#Branch1][B-1][Branch1][C][F][Branch1][C][F][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][N][=N][Ring2][Ring1][=N][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring2][=Branch1][Branch1] |
CHEMBL4276708 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][N][Branch1][C][C][C][=Ring2][Ring1][C][N][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4276709 | [C][N][Branch1][C][C][C][C][O][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][=N][C][Branch2][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][=C][Ring2][Ring1][N].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL4276710 | [O][=C][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][N] |
CHEMBL4276711 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Ring1][=Branch2][N][=C][Ring1][=N][C] |
CHEMBL4276712 | [F][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P] |
CHEMBL4276783 | [C][C][=C][C][=C][C][C][=C][Branch2][Ring1][=Branch1][C][C][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=N][N][Ring1][=N][C][=N][N][=N][N][Ring1][Branch1][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1] |
CHEMBL4276784 | [C][C][Branch1][C][C][O][B][Branch2][Ring2][S][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][O][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=C][Ring2][Ring1][=N][O][C][Ring2][Ring2][Ring1][Branch1][C][C][C] |
CHEMBL4276785 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring2][C][O][C][Branch1][C][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][O][=O] |
CHEMBL4276786 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=N][Ring2][Ring1][Ring1] |
CHEMBL4276787 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4276788 | [O][=C][Branch1][=Branch2][N][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
CHEMBL4276877 | [C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4276878 | [C][N][N][=C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=N] |
CHEMBL4276879 | [N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4276880 | [N-1][=N+1][=N][C@][Branch1][Ring1][C][O][O][C@@H1][Branch1][#C][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][Ring1][Branch2][C@@H1][Branch1][C][F][C@@H1][Ring1][S][O] |
CHEMBL4276958 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4276959 | [N][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][S][Ring1][N][=C][Ring2][Ring1][N] |
CHEMBL4276960 | [C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S] |
CHEMBL4276961 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][=Branch2][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][N][C][=Branch1][C][=N][N][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][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][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][=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][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][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][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][Branch2][O][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#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][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
CHEMBL4277042 | [C][N][C][C][C@H1][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C@@H1][Ring1][P][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4277043 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][S][C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4277044 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C@H1][Ring2][Ring2][Branch1][C] |
CHEMBL4277045 | [C][C][C][C][C][C][C][N][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=N][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4277046 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][S][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][C][=C][Ring2][Ring1][P][O] |
CHEMBL4277047 | [C][C+1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=N][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][O] |
CHEMBL4277123 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
CHEMBL4277124 | [C][O][C][=C][C][=C][Branch2][Branch1][#C][C][C][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][=N][N][Ring2][Ring1][#C][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4277125 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=N][N][Branch1][=C][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4277126 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][Ring2] |
CHEMBL4277127 | [O][=C][Branch2][Ring1][=Branch1][N][/N][=C][/C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277211 | [C][C][=C][C][Branch2][Ring1][O][O][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][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4277212 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][=C] |
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