smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)[N-]C([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000098049055 519910957 /nfs/dbraw/zinc/91/09/57/519910957.db2.gz HYQYHUBDZSFGCJ-UHFFFAOYSA-N -2 1 378.263 4.504 50 30 GJEAML