pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Datawarrior	0	-1	NC(=O)NOCC[C@H]([NH3+])C(=O)[O-]	NC(=O)NOCC[C@H](N)C(=O)[O-]	mol12897	NC(=O)NOCCC(N)C(=O)O
8.8999996	OCHEM	0	-1	NC(=O)NOCC[C@H]([NH3+])C(=O)[O-]	NC(=O)NOCC[C@H](N)C(=O)[O-]	mol12897	NC(=O)NOCCC(N)C(=O)O
2.5	Datawarrior	2	1	NC(=O)NOCC[C@H]([NH3+])C(O)=[OH+],NC(=[OH+])NOCC[C@H]([NH3+])C(=O)O	NC(=O)NOCC[C@H]([NH3+])C(=O)O	mol12897	NC(=O)NOCCC(N)C(=O)O