pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	Nc1cc([N+](=O)[O-])ccc1O	Nc1cc([N+](=O)[O-])ccc1[O-]	mol17651	Nc1cc([N+](=O)[O-])ccc1O
6.7	Baltruschat ChEMBL	0	-1	Nc1cc([N+](=O)[O-])ccc1O	Nc1cc([N+](=O)[O-])ccc1[O-]	mol17651	Nc1cc([N+](=O)[O-])ccc1O
7.07	AttenGpKa training set	0	-1	Nc1cc([N+](=O)[O-])ccc1O	Nc1cc([N+](=O)[O-])ccc1[O-]	mol17651	Nc1cc([N+](=O)[O-])ccc1O
3.1	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1O	Nc1cc([N+](=O)[O-])ccc1O	mol17651	Nc1cc([N+](=O)[O-])ccc1O
2.62	AttenGpKa training set	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1O	Nc1cc([N+](=O)[O-])ccc1O	mol17651	Nc1cc([N+](=O)[O-])ccc1O