pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.26	Datawarrior	0	-1	NC(=O)[C@@H](O)[C@H]([NH3+])C(=O)[O-]	NC(=O)[C@@H](O)[C@H](N)C(=O)[O-]	mol13110	NC(=O)[C@@H](O)[C@H](N)C(=O)O
2.12	Datawarrior	1	0	NC(=O)[C@@H](O)[C@H]([NH3+])C(=O)O	NC(=O)[C@@H](O)[C@H]([NH3+])C(=O)[O-]	mol13110	NC(=O)[C@@H](O)[C@H](N)C(=O)O
2.11999988555908	QSARToolbox	1	0	NC(=O)[C@@H](O)[C@H]([NH3+])C(=O)O	NC(=O)[C@@H](O)[C@H]([NH3+])C(=O)[O-]	mol13110	NC(=O)[C@@H](O)[C@H](N)C(=O)O