pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.7399997711182	QSARToolbox	-1	-2	O=C([N-][C@H](O)C(Cl)(Cl)Cl)c1ccc(Br)cc1,O=C(N[C@H]([O-])C(Cl)(Cl)Cl)c1ccc(Br)cc1	O=C([N-][C@H]([O-])C(Cl)(Cl)Cl)c1ccc(Br)cc1	mol36761	O=C(NC(O)C(Cl)(Cl)Cl)c1ccc(Br)cc1