pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	0	-1	[NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1C(=O)O	[NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1C(=O)[O-]	mol18980	N[C@H](C(=O)O)[C@@H]1C[C@H]1C(=O)O
2.2	Baltruschat ChEMBL	1	0	[NH3+][C@H](C(=O)O)[C@@H]1C[C@H]1C(=O)O	[NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1C(=O)O	mol18980	N[C@H](C(=O)O)[C@@H]1C[C@H]1C(=O)O
9.5	Baltruschat ChEMBL	-1	-2	[NH3+][C@H](C(=O)[O-])[C@@H]1C[C@H]1C(=O)[O-]	N[C@H](C(=O)[O-])[C@@H]1C[C@H]1C(=O)[O-]	mol18980	N[C@H](C(=O)O)[C@@H]1C[C@H]1C(=O)O