pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.44	IUPAC digitized pKa	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
5.11	Datawarrior	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
5.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
5.1100001	OCHEM	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
5.035	OCHEM	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
4.94999980926514	QSARToolbox	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
4.23999977111816	QSARToolbox	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
5.11999988555908	QSARToolbox	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
5.44000005722046	QSARToolbox	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1
4.90999984741211	QSARToolbox	1	0	CCCC[NH2+]c1ccccc1	CCCCNc1ccccc1	mol988	CCCCNc1ccccc1