smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccccc1C=NNC(=O)c1ccc([O-])cc1 ZINC000254752548 961322784 /nfs/dbraw/zinc/32/27/84/961322784.db2.gz WQZGSVXAWPLLJF-UHFFFAOYSA-N -2 3 284.271 1.854 50 50 CDGAHL CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1ccccc1F ZINC000016479350 957098768 /nfs/dbraw/zinc/09/87/68/957098768.db2.gz MUWYILBFGKRPHL-UHFFFAOYSA-N -2 3 296.298 1.478 50 50 CDGAHL