[
  {
    "molid": "mol23692",
    "smiles": "O=C(O)c1ccc(-c2cccc(OC3OC(CO)C(O)C(O)C3O)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(-c2cccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2)cc1",
        "std_free_energy": -3.7048838138580322,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(-c2cccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c2)cc1",
        "std_free_energy": -9.557348251342773,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]