smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@H](C(=O)[O-])c1cc([O-])ccc1[N+](=O)[O-] ZINC000072196194 384455099 /nfs/dbraw/zinc/45/50/99/384455099.db2.gz KFLILFZNCXDXLR-ZETCQYMHSA-N -2 1 212.161 0.385 40 5 BCBBML O=C([O-])c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000045957455 359747145 /nfs/dbraw/zinc/74/71/45/359747145.db2.gz HPLYVSOWVIGQFU-UHFFFAOYSA-N -2 1 228.116 0.907 40 5 BCBBML N[C@@H](C(=O)[O-])c1cc([O-])ccc1[N+](=O)[O-] ZINC000199810664 384553151 /nfs/dbraw/zinc/55/31/51/384553151.db2.gz KFLILFZNCXDXLR-SSDOTTSWSA-N -2 1 212.161 0.385 40 5 BCBBML