pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.88	Datawarrior	1	0	CC(=O)OC[C@@H]1CC2CC[NH+]1CC2	CC(=O)OC[C@@H]1CC2CCN1CC2	mol13793	CC(=O)OCC1CC2CCN1CC2
9.8800001	OCHEM	1	0	CC(=O)OC[C@@H]1CC2CC[NH+]1CC2	CC(=O)OC[C@@H]1CC2CCN1CC2	mol13793	CC(=O)OCC1CC2CCN1CC2
9.88000011444092	QSARToolbox	1	0	CC(=O)OC[C@@H]1CC2CC[NH+]1CC2	CC(=O)OC[C@@H]1CC2CCN1CC2	mol13793	CC(=O)OCC1CC2CCN1CC2