pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.72	IUPAC digitized pKa	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.48	IUPAC digitized pKa	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.36	Datawarrior	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.68	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.41	OCHEM	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.47	OCHEM	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN
10.45	AttenGpKa training set	1	0	CC(C)C[NH3+]	CC(C)CN	mol2366	CC(C)CN