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-]c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016101602 221357626 /nfs/dbraw/zinc/35/76/26/221357626.db2.gz XKATVVSHPASASA-UHFFFAOYSA-N -1 3 387.276 4.664 20 30 GJEDHM