pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.87	AttenGpKa training set	1	0	OCC[NH+](c1ccccc1)c1ccccc1	OCCN(c1ccccc1)c1ccccc1	mol23920	OCCN(c1ccccc1)c1ccccc1