[
  {
    "molid": "mol33063",
    "smiles": "O=C(O)C(O)c1cccc(I)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H](O)c1cccc(I)c1",
        "std_free_energy": -3.43094539642334,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](O)c1cccc(I)c1",
        "std_free_energy": -10.830571174621582,
        "relative_population": 0.9999999681621871
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.25999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]