smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1ccc([N+](=O)[O-])c([O-])[n-]1 15767199 351379249 /nfs/dbraw/zinc/37/92/49/351379249.db2.gz OANIJGWISUGBFS-UHFFFAOYSA-N -2 3 156.097 -0.011 40 5 ABBBHL