pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.33	AttenGpKa training set	0	-1	O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1O	O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1O	mol22959	O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1O
8.85000038146973	QSARToolbox	-1	-2	O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1O	O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1[O-]	mol22959	O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1O
8.85	AttenGpKa training set	-1	-2	O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1O	O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1[O-]	mol22959	O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1O