pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.25	QSARToolbox	0	-1	Oc1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O,[O-]c1c(C[NH+]2CCOCC2)ccc(CN2CCOCC2)c1O,[O-]c1c(CN2CCOCC2)ccc(C[NH+]2CCOCC2)c1O	[O-]c1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O	mol33934	Oc1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O