pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	IUPAC digitized pKa	1	0	NCCCCNCCC[NH3+],NCCCC[NH2+]CCCN,NCCCNCCCC[NH3+]	NCCCCNCCCN	mol3157	NCCCCNCCCN
10.59	Datawarrior	1	0	NCCCCNCCC[NH3+],NCCCC[NH2+]CCCN,NCCCNCCCC[NH3+]	NCCCCNCCCN	mol3157	NCCCCNCCCN
9.1	IUPAC digitized pKa	2	1	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	NCCCCNCCC[NH3+],NCCCC[NH2+]CCCN,NCCCNCCCC[NH3+]	mol3157	NCCCCNCCCN
9.86	Datawarrior	2	1	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	NCCCCNCCC[NH3+],NCCCC[NH2+]CCCN,NCCCNCCCC[NH3+]	mol3157	NCCCCNCCCN
10.2399997711182	QSARToolbox	2	1	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	NCCCCNCCC[NH3+],NCCCC[NH2+]CCCN,NCCCNCCCC[NH3+]	mol3157	NCCCCNCCCN
6.5	IUPAC digitized pKa	3	2	[NH3+]CCCC[NH2+]CCC[NH3+]	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	mol3157	NCCCCNCCCN
8.35	Datawarrior	3	2	[NH3+]CCCC[NH2+]CCC[NH3+]	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	mol3157	NCCCCNCCCN
9.73999977111816	QSARToolbox	3	2	[NH3+]CCCC[NH2+]CCC[NH3+]	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	mol3157	NCCCCNCCCN
8.14999961853027	QSARToolbox	3	2	[NH3+]CCCC[NH2+]CCC[NH3+]	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	mol3157	NCCCCNCCCN
8.30000019073486	QSARToolbox	3	2	[NH3+]CCCC[NH2+]CCC[NH3+]	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	mol3157	NCCCCNCCCN
8.25	QSARToolbox	3	2	[NH3+]CCCC[NH2+]CCC[NH3+]	[NH3+]CCCCNCCC[NH3+],NCCC[NH2+]CCCC[NH3+]	mol3157	NCCCCNCCCN