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)N1c2ccc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc2C[C@@H]1C ZINC000161288968 509097614 /nfs/dbraw/zinc/09/76/14/509097614.db2.gz PHZILKZAMWJTGF-JTQLQIEISA-N -2 3 364.398 2.630 20 70 FFIDHL CSc1nsc([N-]C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])n1 ZINC000160576418 509004874 /nfs/dbraw/zinc/00/48/74/509004874.db2.gz DMBNMFMFLBOHJW-UHFFFAOYSA-N -2 3 365.415 2.851 20 70 FFIDHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc2C[C@H]1C ZINC000161288828 509097155 /nfs/dbraw/zinc/09/71/55/509097155.db2.gz PHZILKZAMWJTGF-SNVBAGLBSA-N -2 3 364.398 2.630 20 70 FFIDHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC(C)C)o1 ZINC000160895280 509045308 /nfs/dbraw/zinc/04/53/08/509045308.db2.gz KSGUQNUIROYGJY-UHFFFAOYSA-N -2 3 354.453 2.941 20 70 FFIDHL