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-])c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000030714751 372398118 /nfs/dbraw/zinc/39/81/18/372398118.db2.gz QWKIZESVMSXRAS-UHFFFAOYSA-N -2 1 273.244 2.589 40 5 CFBBML