pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	AttenGpKa training set	0	-1	COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)O)c2cccc(OC)c2c3OC)c1	COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)[O-])c2cccc(OC)c2c3OC)c1	mol23258	COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)O)c2cccc(OC)c2c3OC)c1