smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccc([O-])cc1)c1ccccc1-2 ZINC000104180857 563672511 /nfs/dbraw/zinc/67/25/11/563672511.db2.gz TZUXVBJYTOOXKA-ODLFYWEKSA-N -1 3 315.328 4.870 40 5 DJBBHM