pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.87	Datawarrior	1	0	CO[C@H]1CC2CC[NH+]1CC2	CO[C@H]1CC2CCN1CC2	mol13192	COC1CC2CCN1CC2
8.8699999	OCHEM	1	0	CO[C@H]1CC2CC[NH+]1CC2	CO[C@H]1CC2CCN1CC2	mol13192	COC1CC2CCN1CC2
8.86999988555908	QSARToolbox	1	0	CO[C@H]1CC2CC[NH+]1CC2	CO[C@H]1CC2CCN1CC2	mol13192	COC1CC2CCN1CC2