[
  {
    "molid": "mol33022",
    "smiles": "O=C(O)C(O)C(Cl)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H](O)[C@@H](Cl)C(=O)O",
        "std_free_energy": -0.042177796363830566,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@H](O)[C@@H](Cl)C(=O)O",
        "std_free_energy": -8.12089729309082,
        "relative_population": 0.42599998139647904
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C(O)[C@H](O)[C@@H](Cl)C(=O)[O-]",
        "std_free_energy": -8.414804458618164,
        "relative_population": 0.5715468562862831
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.3199999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]