pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09	Datawarrior	1	0	CCCCCCC[NH2+]c1ccccc1	CCCCCCCNc1ccccc1	mol13247	CCCCCCCNc1ccccc1
5.0900002	OCHEM	1	0	CCCCCCC[NH2+]c1ccccc1	CCCCCCCNc1ccccc1	mol13247	CCCCCCCNc1ccccc1
5.09000015258789	QSARToolbox	1	0	CCCCCCC[NH2+]c1ccccc1	CCCCCCCNc1ccccc1	mol13247	CCCCCCCNc1ccccc1