pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.777	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.106	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.72	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.77	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.66	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
11.59	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
11.568	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
11.177	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.812	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.471	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.15	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
9.85	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.998	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.653	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.351	IUPAC digitized pKa	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.7	Datawarrior	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.78	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.64	OCHEM	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.7485	OCHEM	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN
10.615	AttenGpKa training set	1	0	CCCC[NH3+]	CCCCN	mol179	CCCCN