pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	OCHEM	1	0	COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2	COc1cc2c(cc1[O-])CC[n+]1cc3c(OC)c(OC)ccc3cc1-2	mol19545	COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2
8.19999980926514	QSARToolbox	1	0	COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2	COc1cc2c(cc1[O-])CC[n+]1cc3c(OC)c(OC)ccc3cc1-2	mol19545	COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2