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(OCc2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000216753634 546262898 /nfs/dbraw/zinc/26/28/98/546262898.db2.gz RWUHMCFZHLIJAP-UHFFFAOYSA-N -2 3 323.688 3.231 40 5 DGBBHL O=C([O-])c1cc(OCc2cccc(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000216932479 432653091 /nfs/dbraw/zinc/65/30/91/432653091.db2.gz GNYPVDBGJDDQEP-UHFFFAOYSA-N -2 3 323.688 3.231 40 5 DGBBHL O=C([O-])c1cc(OCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1[O-] ZINC000216753701 546262956 /nfs/dbraw/zinc/26/29/56/546262956.db2.gz MYTIJKFYQRZEEM-UHFFFAOYSA-N -2 3 323.688 3.231 40 5 DGBBHL