smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(Oc2cc(Oc3ccc(C(=O)[O-])cc3)cc([N+](=O)[O-])c2)cc1 ZINC000000828319 212187096 /nfs/dbraw/zinc/18/70/96/212187096.db2.gz IWBPPRDGNOTKQZ-UHFFFAOYSA-N -2 0 395.323 4.576 50 5 GJBARL Cc1cc(C(=C(Cl)Cl)c2cc(C)c([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000036046701 570520704 /nfs/dbraw/zinc/52/07/04/570520704.db2.gz OHHOLZWTBLIIGH-UHFFFAOYSA-N -2 0 399.186 4.726 50 5 GJBARL