pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.19	Datawarrior	0	-1	C[NH2+][C@@H](C)C(=O)[O-]	CN[C@@H](C)C(=O)[O-]	mol15984	CNC(C)C(=O)O
10.2	OCHEM	0	-1	C[NH2+][C@@H](C)C(=O)[O-]	CN[C@@H](C)C(=O)[O-]	mol15984	CNC(C)C(=O)O
2.22	Datawarrior	1	0	C[NH2+][C@@H](C)C(=O)O	C[NH2+][C@@H](C)C(=O)[O-]	mol15984	CNC(C)C(=O)O
2.22000002861023	QSARToolbox	1	0	C[NH2+][C@@H](C)C(=O)O	C[NH2+][C@@H](C)C(=O)[O-]	mol15984	CNC(C)C(=O)O
1.19000005722046	QSARToolbox	1	0	C[NH2+][C@@H](C)C(=O)O	C[NH2+][C@@H](C)C(=O)[O-]	mol15984	CNC(C)C(=O)O