pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.47	AttenGpKa training set	1	0	Nc1ccc[n+](O)c1	Nc1ccc[n+]([O-])c1	mol25159	Nc1ccc[n+](O)c1
-2.1	AttenGpKa training set	2	1	[NH3+]c1ccc[n+](O)c1	Nc1ccc[n+](O)c1	mol25159	Nc1ccc[n+](O)c1