smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=Cc2c([O-])[nH]c(=O)[n-]c2=O)C(=O)N(C)C1=O ZINC000075287213 373620151 /nfs/dbraw/zinc/62/01/51/373620151.db2.gz PPNXTMZAVKOFCV-UHFFFAOYSA-N -2 3 294.223 -1.797 50 10 CACAHL