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-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2Br)c2nonc21 ZINC000006444503 554538625 /nfs/dbraw/zinc/53/86/25/554538625.db2.gz RXQHGHLBUARGFU-UHFFFAOYSA-N 0 2 459.010 4.308 10 5 JIBELN