pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.25	IUPAC digitized pKa	0	-1	CCCC[NH2+]CC(=O)[O-]	CCCCNCC(=O)[O-]	mol5366	CCCCNCC(=O)O
10.07	IUPAC digitized pKa	0	-1	CCCC[NH2+]CC(=O)[O-]	CCCCNCC(=O)[O-]	mol5366	CCCCNCC(=O)O
10.16	Datawarrior	0	-1	CCCC[NH2+]CC(=O)[O-]	CCCCNCC(=O)[O-]	mol5366	CCCCNCC(=O)O
10.0699996948242	QSARToolbox	0	-1	CCCC[NH2+]CC(=O)[O-]	CCCCNCC(=O)[O-]	mol5366	CCCCNCC(=O)O
2.35	IUPAC digitized pKa	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O
2.29	IUPAC digitized pKa	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O
2.32	Datawarrior	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O
2.3199999	OCHEM	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O
2.34999990463257	QSARToolbox	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O
2.28999996185303	QSARToolbox	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O
1.25	QSARToolbox	1	0	CCCC[NH2+]CC(=O)O	CCCC[NH2+]CC(=O)[O-]	mol5366	CCCCNCC(=O)O