pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6000003814697	QSARToolbox	0	-1	O=[N+]([O-])c1ccc([C@@H](O)C(Cl)(Cl)Cl)cc1	O=[N+]([O-])c1ccc([C@@H]([O-])C(Cl)(Cl)Cl)cc1	mol36766	O=[N+]([O-])c1ccc(C(O)C(Cl)(Cl)Cl)cc1