pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.96	Datawarrior	1	0	C=C(C)C(=O)O[C@H](C)C[NH+](C)C	C=C(C)C(=O)O[C@H](C)CN(C)C	mol12886	C=C(C)C(=O)OC(C)CN(C)C
7.96000003814697	QSARToolbox	1	0	C=C(C)C(=O)O[C@H](C)C[NH+](C)C	C=C(C)C(=O)O[C@H](C)CN(C)C	mol12886	C=C(C)C(=O)OC(C)CN(C)C