pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.56	AttenGpKa training set	1	0	CCOC(=O)NC12CC[NH+](CC1)CC2	CCOC(=O)NC12CCN(CC1)CC2	mol24620	CCOC(=O)NC12CCN(CC1)CC2