pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	Datawarrior	1	0	C=CC(=O)OCC[NH+](CC)CC	C=CC(=O)OCCN(CC)CC	mol12887	C=CC(=O)OCCN(CC)CC
8.5500002	OCHEM	1	0	C=CC(=O)OCC[NH+](CC)CC	C=CC(=O)OCCN(CC)CC	mol12887	C=CC(=O)OCCN(CC)CC
8.5600004196167	QSARToolbox	1	0	C=CC(=O)OCC[NH+](CC)CC	C=CC(=O)OCCN(CC)CC	mol12887	C=CC(=O)OCCN(CC)CC