pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.51	IUPAC digitized pKa	1	0	CC1=[NH+]CCO1	CC1=NCCO1	mol3957	CC1=NCCO1
5.5	IUPAC digitized pKa	1	0	CC1=[NH+]CCO1	CC1=NCCO1	mol3957	CC1=NCCO1
5.51000022888184	QSARToolbox	1	0	CC1=[NH+]CCO1	CC1=NCCO1	mol3957	CC1=NCCO1