pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	AttenGpKa training set	0	-1	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O	mol23144	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O
6.96000003814697	QSARToolbox	-1	-2	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1[O-]	mol23144	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O
6.96	AttenGpKa training set	-1	-2	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1[O-]	mol23144	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O