smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000023776793 204812812 /nfs/dbraw/zinc/81/28/12/204812812.db2.gz ZCDYHTBUUPEUNN-NTEUORMPSA-N -1 0 382.441 5.343 20 5 GKBDRM