smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1OCC(=O)[O-] ZINC000409338695 528625804 /nfs/dbraw/zinc/62/58/04/528625804.db2.gz ONIZHQJHCFEWTP-VOTSOKGWSA-N -2 2 377.309 1.829 40 5 GDBBLL