pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.44999980926514	QSARToolbox	1	0	COc1c(O)ccc2c1C[N@+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4	COc1c([O-])ccc2c1C[N@+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4	mol38002	COc1c(O)ccc2c1C[N+]1(C)CCc3cc4c(cc3[C@@H]1C2)OCO4