smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc(/C=C\c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)[O-])cc3)c(=O)c2c1 ZINC000206238203 569587776 /nfs/dbraw/zinc/58/77/76/569587776.db2.gz GNLVJIICVWDSNI-XGICHPGQSA-N -1 0 443.415 4.171 10 5 IIBERM