pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.58	Datawarrior	1	0	CCOC(=O)c1ccc(CC[NH3+])cc1	CCOC(=O)c1ccc(CCN)cc1	mol13268	CCOC(=O)c1ccc(CCN)cc1
9.5799999	OCHEM	1	0	CCOC(=O)c1ccc(CC[NH3+])cc1	CCOC(=O)c1ccc(CCN)cc1	mol13268	CCOC(=O)c1ccc(CCN)cc1
9.57999992370606	QSARToolbox	1	0	CCOC(=O)c1ccc(CC[NH3+])cc1	CCOC(=O)c1ccc(CCN)cc1	mol13268	CCOC(=O)c1ccc(CCN)cc1