pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.10000038146973	QSARToolbox	0	-1	[NH3+]CC(=O)N[C@H](CO)C(=O)[O-]	NCC(=O)N[C@H](CO)C(=O)[O-]	mol35236	NCC(=O)NC(CO)C(=O)O
2.98000001907349	QSARToolbox	1	0	[NH3+]CC(=O)N[C@H](CO)C(=O)O,NCC(=O)N[C@H](C[OH2+])C(=O)O	[NH3+]CC(=O)N[C@H](CO)C(=O)[O-]	mol35236	NCC(=O)NC(CO)C(=O)O
3.35999989509583	QSARToolbox	1	0	[NH3+]CC(=O)N[C@H](CO)C(=O)O,NCC(=O)N[C@H](C[OH2+])C(=O)O	[NH3+]CC(=O)N[C@H](CO)C(=O)[O-]	mol35236	NCC(=O)NC(CO)C(=O)O
2.99000000953674	QSARToolbox	1	0	[NH3+]CC(=O)N[C@H](CO)C(=O)O,NCC(=O)N[C@H](C[OH2+])C(=O)O	[NH3+]CC(=O)N[C@H](CO)C(=O)[O-]	mol35236	NCC(=O)NC(CO)C(=O)O
2.92000007629395	QSARToolbox	1	0	[NH3+]CC(=O)N[C@H](CO)C(=O)O,NCC(=O)N[C@H](C[OH2+])C(=O)O	[NH3+]CC(=O)N[C@H](CO)C(=O)[O-]	mol35236	NCC(=O)NC(CO)C(=O)O