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-])COCC(=O)NNC(=O)c1ccncc1 ZINC000002156063 948765721 /nfs/dbraw/zinc/76/57/21/948765721.db2.gz PTPZRBOAFFKHRR-UHFFFAOYSA-N -1 0 253.214 -1.056 50 50 CAGARM