pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33	Datawarrior	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
3.29	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
3.3299999	OCHEM	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
3.33999991416931	QSARToolbox	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
3.3199999332428	QSARToolbox	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
3.32	AttenGpKa training set	0	-1	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	mol13912	O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1