smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])Cn1cc(S(=O)(=O)[N-]NC(=O)C(F)(F)Oc2ccccc2)cn1 ZINC000833275309 600686369 /nfs/dbraw/zinc/68/63/69/600686369.db2.gz VUCQVJUWCDWLDI-UHFFFAOYSA-N -2 2 390.324 -0.051 20 50 GBGDLL