pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.7	Datawarrior	1	0	C[C@]12C[NH+]3C[C@](C)(C1)C[C@@](C)(C3)C2	C[C@]12CN3C[C@](C)(C1)C[C@@](C)(C3)C2	mol13973	CC12CN3CC(C)(C1)CC(C)(C3)C2
10.6999998092651	QSARToolbox	1	0	C[C@]12C[NH+]3C[C@](C)(C1)C[C@@](C)(C3)C2	C[C@]12CN3C[C@](C)(C1)C[C@@](C)(C3)C2	mol13973	CC12CN3CC(C)(C1)CC(C)(C3)C2