pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.78000020980835	QSARToolbox	1	0	COC(=O)CC(=O)c1ccc[n+](C)c1	COC(=O)[CH-]C(=O)c1ccc[n+](C)c1	mol26903	COC(=O)CC(=O)c1ccc[n+](C)c1
6.78	AttenGpKa training set	1	0	COC(=O)CC(=O)c1ccc[n+](C)c1	COC(=O)[CH-]C(=O)c1ccc[n+](C)c1	mol26903	COC(=O)CC(=O)c1ccc[n+](C)c1