pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	1	0	CCOCC[NH2+]c1ccc(C)cc1	CCOCCNc1ccc(C)cc1	mol13946	CCOCCNc1ccc(C)cc1
4.5999999	OCHEM	1	0	CCOCC[NH2+]c1ccc(C)cc1	CCOCCNc1ccc(C)cc1	mol13946	CCOCCNc1ccc(C)cc1
4.59999990463257	QSARToolbox	1	0	CCOCC[NH2+]c1ccc(C)cc1	CCOCCNc1ccc(C)cc1	mol13946	CCOCCNc1ccc(C)cc1