smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC000049515049 369404992 /nfs/dbraw/zinc/40/49/92/369404992.db2.gz SHSKNAGOEXFZER-LURJTMIESA-N 0 2 296.086 3.189 30 0 CGACLN