pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.68	Datawarrior	1	0	ClC[C@@H]1CC2CC[NH+]1CC2	ClC[C@@H]1CC2CCN1CC2	mol13185	ClCC1CC2CCN1CC2
9.6800003	OCHEM	1	0	ClC[C@@H]1CC2CC[NH+]1CC2	ClC[C@@H]1CC2CCN1CC2	mol13185	ClCC1CC2CCN1CC2
9.68000030517578	QSARToolbox	1	0	ClC[C@@H]1CC2CC[NH+]1CC2	ClC[C@@H]1CC2CCN1CC2	mol13185	ClCC1CC2CCN1CC2