smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(-c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cs1 ZINC000004245224 563828154 /nfs/dbraw/zinc/82/81/54/563828154.db2.gz NNWUNWFSNMJBOS-UHFFFAOYSA-N 0 0 321.745 4.214 30 5 DIBCRN Nc1nc(-c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cs1 ZINC000004245223 563828098 /nfs/dbraw/zinc/82/80/98/563828098.db2.gz AOQQGISDSGSELH-UHFFFAOYSA-N 0 0 321.745 4.214 30 5 DIBCRN