[
  {
    "molid": "mol32518",
    "smiles": "O=C(O)C1OC(Oc2ccc(I)cc2)C(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1O[C@H](Oc2ccc(I)cc2)[C@H](O)[C@@H](O)[C@H]1O",
        "std_free_energy": -2.659095287322998,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1O[C@H](Oc2ccc(I)cc2)[C@H](O)[C@@H](O)[C@H]1O",
        "std_free_energy": -10.630474090576172,
        "relative_population": 0.9999997082388482
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]