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(Br)cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1F ZINC000728505476 1060022087 /nfs/dbraw/zinc/02/20/87/1060022087.db2.gz ILKKRFBTROJUQZ-UHFFFAOYSA-N -1 2 459.293 2.924 20 10 JFCDLM