pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	AttenGpKa training set	-1	-2	Cc1c([O-])ccc(O)c1C	Cc1c([O-])ccc([O-])c1C	mol30505	Cc1c(O)ccc(O)c1C
11.115	AttenGpKa training set	-1	-2	Cc1c([O-])ccc(O)c1C	Cc1c([O-])ccc([O-])c1C	mol30505	Cc1c(O)ccc(O)c1C