pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	1	0	OC[C@H]1CCC[NH2+]1	OC[C@H]1CCCN1	mol24492	OCC1CCCN1