smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cc1cc(C(=O)NCCc2nc([O-])cc(=O)[n-]2)nc(N)n1 ZINC000217105327 535335790 /nfs/dbraw/zinc/33/57/90/535335790.db2.gz JKQWYQJVRSQAAL-UHFFFAOYSA-N -2 3 332.364 0.431 50 70 ECIAHL