smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccn2c(/C=C/C(=O)[O-])c(-c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000002599599 431258055 /nfs/dbraw/zinc/25/80/55/431258055.db2.gz QJXASVLHQUKGRJ-CMDGGOBGSA-N 0 2 323.308 3.316 30 5 DGBCLN