pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.91	Datawarrior	1	0	CCC1=[NH+]CCC1	CCC1=NCCC1	mol16036	CCC1=NCCC1
7.9099998	OCHEM	1	0	CCC1=[NH+]CCC1	CCC1=NCCC1	mol16036	CCC1=NCCC1
6.09000015258789	QSARToolbox	1	0	CCC1=[NH+]CCC1	CCC1=NCCC1	mol16036	CCC1=NCCC1