pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	IUPAC digitized pKa	0	-1	CCC(CC)=NO	CCC(CC)=N[O-]	mol9454	CCC(CC)=NO
12.6000003814697	QSARToolbox	0	-1	CCC(CC)=NO	CCC(CC)=N[O-]	mol9454	CCC(CC)=NO