pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.42	IUPAC digitized pKa	1	0	CC(C)C(N)=[OH+]	CC(C)C(N)=O	mol3174	CC(C)C(N)=O
0.419999986886978	QSARToolbox	1	0	CC(C)C(N)=[OH+]	CC(C)C(N)=O	mol3174	CC(C)C(N)=O
-1.11	AttenGpKa training set	1	0	CC(C)C(N)=[OH+]	CC(C)C(N)=O	mol3174	CC(C)C(N)=O