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-])c1cc(S(=O)(=O)[N-]CC(Cl)Cl)c(Br)o1 ZINC000383380948 971867469 /nfs/dbraw/zinc/86/74/69/971867469.db2.gz BGEUYPFVCLBSKR-UHFFFAOYSA-N -2 0 367.004 1.822 10 50 FDGERL