pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1399998664856	QSARToolbox	1	0	C[C@@]12C[NH+]3C[C@@](C)(C1)C(=O)[C@](C)(C3)C2	C[C@@]12CN3C[C@@](C)(C1)C(=O)[C@](C)(C3)C2	mol38155	CC12CN3CC(C)(C1)C(=O)C(C)(C3)C2