pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	Datawarrior	1	0	CCOCC[NH2+]c1cccc(C)c1	CCOCCNc1cccc(C)c1	mol13945	CCOCCNc1cccc(C)c1
4.2399998	OCHEM	1	0	CCOCC[NH2+]c1cccc(C)c1	CCOCCNc1cccc(C)c1	mol13945	CCOCCNc1cccc(C)c1
4.23999977111816	QSARToolbox	1	0	CCOCC[NH2+]c1cccc(C)c1	CCOCCNc1cccc(C)c1	mol13945	CCOCCNc1cccc(C)c1