pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	Datawarrior	1	0	O[C@]1(c2cc3ccccc3o2)C[NH+]2CCC1CC2	O[C@]1(c2cc3ccccc3o2)CN2CCC1CC2	mol14895	OC1(c2cc3ccccc3o2)CN2CCC1CC2
8.8400002	OCHEM	1	0	O[C@]1(c2cc3ccccc3o2)C[NH+]2CCC1CC2	O[C@]1(c2cc3ccccc3o2)CN2CCC1CC2	mol14895	OC1(c2cc3ccccc3o2)CN2CCC1CC2
8.84000015258789	QSARToolbox	1	0	O[C@]1(c2cc3ccccc3o2)C[NH+]2CCC1CC2	O[C@]1(c2cc3ccccc3o2)CN2CCC1CC2	mol14895	OC1(c2cc3ccccc3o2)CN2CCC1CC2