pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	AttenGpKa training set	1	0	CCN(CC)C(=O)[C@H]1CCC[NH2+]C1	CCN(CC)C(=O)[C@H]1CCCNC1	mol24601	CCN(CC)C(=O)C1CCCNC1