pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	AttenGpKa training set	1	0	CCOC(=O)C1CC[NH2+]CC1	CCOC(=O)C1CCNCC1	mol24563	CCOC(=O)C1CCNCC1