pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	Datawarrior	1	0	C=C(C)C(=O)OCC[NH2+]C	C=C(C)C(=O)OCCNC	mol13122	C=C(C)C(=O)OCCNC
8.96000003814697	QSARToolbox	1	0	C=C(C)C(=O)OCC[NH2+]C	C=C(C)C(=O)OCCNC	mol13122	C=C(C)C(=O)OCCNC