pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.99	Datawarrior	1	0	CCOCC[NH2+]c1ccc(OC)cc1	CCOCCNc1ccc(OC)cc1	mol13266	CCOCCNc1ccc(OC)cc1
4.9899998	OCHEM	1	0	CCOCC[NH2+]c1ccc(OC)cc1	CCOCCNc1ccc(OC)cc1	mol13266	CCOCCNc1ccc(OC)cc1
4.98999977111816	QSARToolbox	1	0	CCOCC[NH2+]c1ccc(OC)cc1	CCOCCNc1ccc(OC)cc1	mol13266	CCOCCNc1ccc(OC)cc1