pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89999997615814	QSARToolbox	1	0	Cn1cc[n+](CC(=O)O)c1	Cn1cc[n+](CC(=O)[O-])c1	mol25345	Cn1cc[n+](CC(=O)O)c1
2.02999997138977	QSARToolbox	1	0	Cn1cc[n+](CC(=O)O)c1	Cn1cc[n+](CC(=O)[O-])c1	mol25345	Cn1cc[n+](CC(=O)O)c1
1.93	AttenGpKa training set	1	0	Cn1cc[n+](CC(=O)O)c1	Cn1cc[n+](CC(=O)[O-])c1	mol25345	Cn1cc[n+](CC(=O)O)c1