pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.29	OCHEM	0	-1	C[C@@](C#N)(C(=O)O)c1ccccc1	C[C@@](C#N)(C(=O)[O-])c1ccccc1	mol33058	CC(C#N)(C(=O)O)c1ccccc1
2.28999996185303	QSARToolbox	0	-1	C[C@@](C#N)(C(=O)O)c1ccccc1	C[C@@](C#N)(C(=O)[O-])c1ccccc1	mol33058	CC(C#N)(C(=O)O)c1ccccc1