pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Datawarrior	0	-1	O=C([O-])[C@H]1CC[NH2+]1	O=C([O-])[C@H]1CCN1	mol16037	O=C(O)C1CCN1
10.21	AttenGpKa training set	0	-1	O=C([O-])[C@H]1CC[NH2+]1	O=C([O-])[C@H]1CCN1	mol16037	O=C(O)C1CCN1
2.01	AttenGpKa training set	1	0	O=C(O)[C@H]1CC[NH2+]1	O=C([O-])[C@H]1CC[NH2+]1	mol16037	O=C(O)C1CCN1