pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.15	Datawarrior	1	0	ClC[C@H]1C[NH+]2CCC1CC2	ClC[C@H]1CN2CCC1CC2	mol13186	ClCC1CN2CCC1CC2
10.1499996185303	QSARToolbox	1	0	ClC[C@H]1C[NH+]2CCC1CC2	ClC[C@H]1CN2CCC1CC2	mol13186	ClCC1CN2CCC1CC2