smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC000100542084 569764051 /nfs/dbraw/zinc/76/40/51/569764051.db2.gz PMOOZXOOCVDNJB-UHFFFAOYSA-N 0 0 493.247 4.230 30 30 JIECRN