smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)cc(Br)c2O)[nH]1 ZINC000008376377 642351442 /nfs/dbraw/zinc/35/14/42/642351442.db2.gz ZCFFNHXLAVCTRR-OWOJBTEDSA-N -1 2 388.561 2.263 40 5 GEBBLM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)cc(Cl)c2O)[nH]1 ZINC000006505209 531525149 /nfs/dbraw/zinc/52/51/49/531525149.db2.gz QCFDNTDDWSEZAK-OWOJBTEDSA-N -1 2 388.561 2.263 40 5 GEBBLM