pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.85	Datawarrior	1	0	N#C[C@@H]1CC2CC[NH+]1CC2	N#C[C@@H]1CC2CCN1CC2	mol13163	N#CC1CC2CCN1CC2
5.8499999	OCHEM	1	0	N#C[C@@H]1CC2CC[NH+]1CC2	N#C[C@@H]1CC2CCN1CC2	mol13163	N#CC1CC2CCN1CC2
5.84999990463257	QSARToolbox	1	0	N#C[C@@H]1CC2CC[NH+]1CC2	N#C[C@@H]1CC2CCN1CC2	mol13163	N#CC1CC2CCN1CC2