[
  {
    "molid": "mol37754",
    "smiles": "O=C(O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O",
        "std_free_energy": -0.8408956527709961,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)C(=O)O",
        "std_free_energy": -8.52859878540039,
        "relative_population": 0.9963409194667209
      },
      {
        "id": "-2_11",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]",
        "std_free_energy": -13.291311264038086,
        "relative_population": 0.9999968457714123
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.07999992370605,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.21000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]