pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.74	IUPAC digitized pKa	1	0	NCC[NH+]1CCCC1,[NH3+]CCN1CCCC1	NCCN1CCCC1	mol3871	NCCN1CCCC1
9.7	OCHEM	1	0	NCC[NH+]1CCCC1,[NH3+]CCN1CCCC1	NCCN1CCCC1	mol3871	NCCN1CCCC1
9.73999977111816	QSARToolbox	1	0	NCC[NH+]1CCCC1,[NH3+]CCN1CCCC1	NCCN1CCCC1	mol3871	NCCN1CCCC1
6.56	IUPAC digitized pKa	2	1	[NH3+]CC[NH+]1CCCC1	NCC[NH+]1CCCC1,[NH3+]CCN1CCCC1	mol3871	NCCN1CCCC1
6.55999994277954	QSARToolbox	2	1	[NH3+]CC[NH+]1CCCC1	NCC[NH+]1CCCC1,[NH3+]CCN1CCCC1	mol3871	NCCN1CCCC1