pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	0	-1	O=C([O-])[C@H]1C[NH2+]CC[C@H]1O	O=C([O-])[C@H]1CNCC[C@H]1O	mol19442	O=C(O)[C@H]1CNCC[C@H]1O
3.4	Baltruschat ChEMBL	1	0	O=C(O)[C@H]1C[NH2+]CC[C@H]1O	O=C([O-])[C@H]1C[NH2+]CC[C@H]1O	mol19442	O=C(O)[C@H]1CNCC[C@H]1O