pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	QSARToolbox	1	0	C[C@]12C[NH+]3C[C@](C)(C1)C(=O)[C@@](C)(C3)C2=O	C[C@]12CN3C[C@](C)(C1)C(=O)[C@@](C)(C3)C2=O	mol38156	CC12CN3CC(C)(C1)C(=O)C(C)(C3)C2=O