pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	IUPAC digitized pKa	1	0	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	NCCN1CCCCC1	mol3564	NCCN1CCCCC1
9.46	IUPAC digitized pKa	1	0	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	NCCN1CCCCC1	mol3564	NCCN1CCCCC1
9.675	OCHEM	1	0	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	NCCN1CCCCC1	mol3564	NCCN1CCCCC1
9.89000034332275	QSARToolbox	1	0	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	NCCN1CCCCC1	mol3564	NCCN1CCCCC1
9.46000003814697	QSARToolbox	1	0	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	NCCN1CCCCC1	mol3564	NCCN1CCCCC1
6.38	IUPAC digitized pKa	2	1	[NH3+]CC[NH+]1CCCCC1	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	mol3564	NCCN1CCCCC1
6.17	IUPAC digitized pKa	2	1	[NH3+]CC[NH+]1CCCCC1	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	mol3564	NCCN1CCCCC1
6.38000011444092	QSARToolbox	2	1	[NH3+]CC[NH+]1CCCCC1	NCC[NH+]1CCCCC1,[NH3+]CCN1CCCCC1	mol3564	NCCN1CCCCC1