pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Datawarrior	1	0	CCOCC[NH+](C)c1ccccc1	CCOCCN(C)c1ccccc1	mol13947	CCOCCN(C)c1ccccc1
4.8000002	OCHEM	1	0	CCOCC[NH+](C)c1ccccc1	CCOCCN(C)c1ccccc1	mol13947	CCOCCN(C)c1ccccc1
4.80000019073486	QSARToolbox	1	0	CCOCC[NH+](C)c1ccccc1	CCOCCN(C)c1ccccc1	mol13947	CCOCCN(C)c1ccccc1