smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=N/[O-])c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000005520843 394458429 /nfs/dbraw/zinc/45/84/29/394458429.db2.gz JLIWVSURWSYXSX-WMZJFQQLSA-N -2 1 275.058 2.261 40 30 CEEBML COc1cc(C=N[O-])ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384449 375521853 /nfs/dbraw/zinc/52/18/53/375521853.db2.gz CCGJMVXKYTVNFB-UHFFFAOYSA-N -2 1 291.259 2.374 40 30 CEEBML C/C(=N\[O-])c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000104234065 277731870 /nfs/dbraw/zinc/73/18/70/277731870.db2.gz JLIWVSURWSYXSX-ONNFQVAWSA-N -2 1 275.058 2.261 40 30 CEEBML