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-])[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002555634 569409058 /nfs/dbraw/zinc/40/90/58/569409058.db2.gz JZUZJVFERQWLNC-FQEVSTJZSA-N -1 2 448.431 3.835 50 5 IHBALM