[
  {
    "molid": "mol37445",
    "smiles": "O=C(O)[C@@H](Cl)[C@H](Cl)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H](Cl)[C@H](Cl)C(=O)O",
        "std_free_energy": 1.3882462978363037,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](Cl)[C@H](Cl)C(=O)O",
        "std_free_energy": -8.57190990447998,
        "relative_population": 0.9977202916007958
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H](Cl)[C@H](Cl)C(=O)[O-]",
        "std_free_energy": -14.337464332580566,
        "relative_population": 0.9999708659502207
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.42999994754791,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.80999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]