pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.422	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.342	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.36	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.379	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.4	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.446	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.471	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.498	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.525	IUPAC digitized pKa	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O
2.42	OCHEM	0	-1	CC(C)(C#N)C(=O)O	CC(C)(C#N)C(=O)[O-]	mol9383	CC(C)(C#N)C(=O)O