pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94	AttenGpKa training set	0	-1	O=C(O)[C@H]1C[C@@H](Oc2ccc3oc4cccc(O)c4c(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O	O=C([O-])[C@H]1C[C@@H](Oc2ccc3oc4cccc(O)c4c(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O	mol30011	O=C(O)[C@H]1C[C@@H](Oc2ccc3oc4cccc(O)c4c(=O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O