smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C[C@@H](c1ccccc1)c1c(=O)oc2cc([O-])ccc2c1OS(=O)(=O)C(F)(F)F ZINC000043569584 563170497 /nfs/dbraw/zinc/17/04/97/563170497.db2.gz DDCYHYKUMVMBKS-HNNXBMFYSA-N -1 0 456.394 3.838 1 70 JHIFRM CC(=O)C[C@H](c1ccccc1)c1c(=O)oc2cc([O-])ccc2c1OS(=O)(=O)C(F)(F)F ZINC000043569586 563170435 /nfs/dbraw/zinc/17/04/35/563170435.db2.gz DDCYHYKUMVMBKS-OAHLLOKOSA-N -1 0 456.394 3.838 1 70 JHIFRM