chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4292025 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
CHEMBL4292026 | [C][C][O][C][N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4292107 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][N] |
CHEMBL4292108 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N] |
CHEMBL4292109 | [C][C][N][C][=Branch1][C][=S][N][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][Ring1][S] |
CHEMBL4292110 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292186 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][N][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][S][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4292187 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch2][C][C][C][C][C][Ring1][=Branch1][C][S][Ring1][=C] |
CHEMBL4292188 | [C][=C][Branch2][N][=C][N][C][=Branch1][C][=O][C][=Branch1][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][=O][C][=Branch1][C][=C][N][C][=Branch1][C][=O][C][=C][S][C][Branch2][=Branch2][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][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][C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=Branch1][C][=O][C][N][=C][Ring2][Branch1][S][O][C][=Ring1][Branch1][C][=N][Ring2][=Branch1][O][C][Branch1][C][N][=O] |
CHEMBL4292189 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O] |
CHEMBL4292190 | [C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N][O][C][=N][C][=C][Ring2][Ring1][=Branch1][Cl] |
CHEMBL4292191 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch1][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@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4292192 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][O][/C][=C][/C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4292193 | [C][C][N][C][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][O][C][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4292281 | [C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4292282 | [C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][#Branch2][Ring2][Ring1][=C] |
CHEMBL4292283 | [N][#C][C][Branch2][Branch1][O][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][=C][C][C][Ring2][Ring1][P] |
CHEMBL4292284 | [C][C@][C][C@@][C][=C][/C][=Branch1][#Branch1][=N][\C][Branch1][C][N][=S][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][O][C@H1][Branch1][#Branch2][C][C@@H1][Ring2][Ring1][S][C][Ring2][Ring1][#C][O][Ring2][Ring2][C] |
CHEMBL4292285 | [C][C][O][C][=Branch1][C][=O][N][C][O][C][=C][Branch1][C][I][N][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4292286 | [C][C][Branch1][C][C][C@@H1][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][Ring2][=Branch1][=Branch2][=O][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][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][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][S][S][C][C@H1][Branch2][Ring1][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][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][=Branch2][S] |
CHEMBL4292287 | [C][S][C][C][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][NH1][C][=N][Ring1][Branch1][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][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][N][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@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][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@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O] |
CHEMBL4292368 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][=C][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4292369 | [N][#C][/C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][/S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4292370 | [C][N][C][Branch2][Ring1][N][C][O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O][=N][N][=C][Ring2][Ring1][Ring2][S][C][C][C][=Branch1][C][=O][O] |
CHEMBL4292371 | [C][O][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][=C][Branch2][=Branch1][N][C][=C][C][=C][Branch2][Branch1][S][O][C][C][C][C][=C][N][Branch2][Ring2][P][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][P][O][C][Ring2][Branch1][Branch2][=C][Ring2][=Branch1][Ring2] |
CHEMBL4292372 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][=C] |
CHEMBL4292461 | [C][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][=O][=C][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] |
CHEMBL4292462 | [C][O][C][=C][C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C] |
CHEMBL4292463 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] |
CHEMBL4292464 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][O][N][C][=N][C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4292541 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][=Branch1][C][C][Branch1][C][O][C][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=C][=O] |
CHEMBL4292542 | [C][O][C][=C][C][Branch2][Ring2][=N][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4292543 | [C][C][Branch1][C][C][N][C][C][C][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Ring2][Ring1][=Branch2][=Branch1][C][=O][=O] |
CHEMBL4292544 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4292545 | [C][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1] |
CHEMBL4292546 | [C][/C][=C][Branch2][#Branch1][Branch1][\N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4292624 | [C][=C][C][=C][Branch1][#C][C][N][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4292625 | [N][=C][Branch1][C][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4292626 | [C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch2][Ring1][S][N][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4292627 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][#C][C][C][Ring1][Ring1] |
CHEMBL4292628 | [C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Branch1][C][N][=O] |
CHEMBL4292629 | [C][O][C][=C][C][=C][Branch2][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][N][F][C][=C][N][=C][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][Branch2][O][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4292630 | [C][C][C][C][C][O][C][=Branch1][C][=O][C][C@H1][Branch2][Ring2][C][N][P][=Branch1][C][=O][C][O][C][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][O][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][C][C] |
CHEMBL4292715 | [C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][O] |
CHEMBL4292716 | [C][C][C][N][C][=C][C][Branch2][Ring2][=N][C][=C][C][=C][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][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring2][Ring1][=C] |
CHEMBL4292717 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch1][S][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][=Branch2] |
CHEMBL4292794 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4292795 | [N][C][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4292796 | [C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Branch2][Ring1][=C][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][=C][Ring2][Ring1][=N] |
CHEMBL4292797 | [C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4292871 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][N][=N+1][=N-1][C][C][Ring1][O][C][C][Ring1][Ring1] |
CHEMBL4292872 | [C][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring2][Ring1][N] |
CHEMBL4292873 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4292874 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][O][/C][=C][/S][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][S] |
CHEMBL4292875 | [C][O][C][=C][C][Branch2][Branch1][Ring2][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@H1][Branch2][Ring1][P][N][Branch1][C][C][C][C][C][O][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][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C] |
CHEMBL4292951 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][\C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4292952 | [C][C][NH1][N][=C][Branch1][C][N][C][=Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4292953 | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][S][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][Cl] |
CHEMBL4292954 | [Cl][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][P] |
CHEMBL4292955 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][P][=O] |
CHEMBL4292956 | [C][O][C][=C][C][Branch2][=Branch1][#C][C@@H1][C][=C][C][=C][Branch2][Branch1][P][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch1][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring2][=Branch1][O][C][O][Ring2][Ring2][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][P][O][C] |
CHEMBL4292957 | [N][C][=N][C][NH1][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4292958 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][/N][=C][Branch1][=Branch1][/C][=Branch1][C][=O][Br][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4293044 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] |
CHEMBL4293045 | [C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][O][N][C][=N][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][=C][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4293046 | [C][O][C][C][C][C][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][N][Ring1][S] |
CHEMBL4293047 | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][N][Branch1][=C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4293048 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N] |
CHEMBL4293049 | [C][#C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][#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][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C@@H1][Ring1][Branch2][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4293135 | [C][O][C][C][C][C][C][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][C][=Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL4293136 | [C][C][C][C][C][N][C][C][C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][S][C][=Ring2][Ring1][C][Ring2][Ring1][=Branch1] |
CHEMBL4293137 | [C][=C][N][Branch2][Ring2][Branch2][C][=C][N][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][N] |
CHEMBL4293138 | [C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4293139 | [C][O][C][=C][C][Branch2][Ring2][#C][/C][=C][/C][C][=C][Branch2][Ring2][C][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][NH1][N][=Ring2][Ring1][O][=C][C][=C][Ring2][Ring2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293221 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][P] |
CHEMBL4293223 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][C@@H1][Ring2][Ring1][Ring1][O] |
CHEMBL4293224 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][/C][=Branch2][Ring2][Branch1][=C][\C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][Ring2][Ring2][C] |
CHEMBL4293225 | [C][N][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][=N] |
CHEMBL4293307 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][N][Branch2][Ring2][=Branch2][C][C][C][C][N][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4293308 | [C][O][C][=C][C][=C][Branch2][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch2][Ring1][Ring2][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Ring2][Ring1][#C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4293309 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL4293310 | [C][O][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][=N][Ring2][Ring1][#Branch1] |
CHEMBL4293311 | [C][C][N][C][Branch1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][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] |
CHEMBL4293312 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4293313 | [C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][=N][#Branch2][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][O][Branch2][C][=Branch1][C][=O][C][N][Branch2][#Branch2][Ring1][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][#Branch1][P][C][=Branch1][C][=O][C][N][Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][C][C][N][C][=Branch1][C][=N][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293314 | [F][C][Branch1][C][F][Branch1][C][F][S][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4293388 | [C][C][=Branch1][C][=S][N][C@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][P][S] |
CHEMBL4293389 | [C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring2][Ring1][C] |
CHEMBL4293390 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] |
CHEMBL4293391 | [O][=C][Branch2][Ring1][N][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][C][=C][Ring1][Branch2][NH1][Ring1][O] |
CHEMBL4293480 | [O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][O] |
CHEMBL4293481 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][Ring1][S][=C][Ring2][Ring1][Branch2] |
CHEMBL4293482 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][Ring1][Ring1] |
CHEMBL4293483 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][S][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][=C][O][C][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#C][=C][Ring2][Branch1][#Branch2] |
CHEMBL4293484 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1] |
CHEMBL4293568 | [C][C][=C][C][Branch1][C][C][=N+1][C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][#Branch1][B-1][Ring2][Ring1][Branch1][Branch1][C][F][F] |
CHEMBL4293569 | [S][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C] |
CHEMBL4293570 | [C][C][C][C][C][C][C][C][C][/C][=C][\C][=Branch1][C][=O][O] |
CHEMBL4293571 | [C][C][C][Branch1][Ring1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][O] |
CHEMBL4293650 | [C][O][C][=C][C][Branch2][Ring2][#Branch2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][#C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][=N][O] |
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