smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OS(=O)(=O)C(F)(F)F)c1O2 ZINC000038152397 563132461 /nfs/dbraw/zinc/13/24/61/563132461.db2.gz RTMHNKWPQFVGSD-ZDUSSCGKSA-N 0 0 490.452 4.636 1 70 JJIFRN Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)N=[N+]=[N-] ZINC000017213898 563013776 /nfs/dbraw/zinc/01/37/76/563013776.db2.gz RSYFJEWJQQXHQH-MUXFZUAMSA-N 0 0 453.506 4.636 1 70 JJIFRN