pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	1	0	CCOC(=O)[C@@H]1CC(F)(F)C[NH2+]1	CCOC(=O)[C@@H]1CC(F)(F)CN1	mol24593	CCOC(=O)C1CC(F)(F)CN1