pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.0	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol6029	Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
-5.54	AttenGpKa training set	1	0	[NH3+]c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol6029	Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]