smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)cc3n2)cc1Cl ZINC000002388653 554178487 /nfs/dbraw/zinc/17/84/87/554178487.db2.gz PKFVTUGTAVRIKD-UHFFFAOYSA-N 0 0 487.903 6.111 30 5 JKBCRN