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-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2 ZINC000036387491 304253598 /nfs/dbraw/zinc/25/35/98/304253598.db2.gz RKSORIGFRQYENG-AUTRQRHGSA-N -2 0 259.261 1.923 1 10 CDCFRL O=C([O-])CCCCc1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000027897037 581096406 /nfs/dbraw/zinc/09/64/06/581096406.db2.gz MJUWWBJMGJMFRR-UHFFFAOYSA-N -2 0 255.226 1.803 1 10 CDCFRL