pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.857	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.762	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
11.468	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.375	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
11.105	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.014	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.93	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.83	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.763	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.674	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.441	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.354	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.137	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.052	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.85	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
8.767	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
11.024	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.242	IUPAC digitized pKa	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.97	Datawarrior	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.16	Datawarrior	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
11.02	Organic Oxygen Acids and Nitrogen Bases	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.565	OCHEM	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.634	OCHEM	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.1	OCHEM	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.85000038146973	QSARToolbox	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
10.3299999237061	QSARToolbox	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
8.77000045776367	QSARToolbox	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN
9.88000011444092	QSARToolbox	1	0	NCCCCCC[NH3+]	NCCCCCCN	mol3245	NCCCCCCN