pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	AttenGpKa training set	0	-1	Cc1c(O)ccc(C2(c3ccc(O)c(C)c3C)OS(=O)(=O)c3ccccc32)c1C	Cc1c([O-])ccc(C2(c3ccc(O)c(C)c3C)OS(=O)(=O)c3ccccc32)c1C	mol30996	Cc1c(O)ccc(C2(c3ccc(O)c(C)c3C)OS(=O)(=O)c3ccccc32)c1C