pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55	Datawarrior	1	0	C[NH2+]C[C@@H](O)CO	CNC[C@@H](O)CO	mol15981	CNCC(O)CO
9.5500002	OCHEM	1	0	C[NH2+]C[C@@H](O)CO	CNC[C@@H](O)CO	mol15981	CNCC(O)CO
9.55000019073486	QSARToolbox	1	0	C[NH2+]C[C@@H](O)CO	CNC[C@@H](O)CO	mol15981	CNCC(O)CO