[
  {
    "molid": "mol32992",
    "smiles": "CC1(C(=O)O)CCC(C(=O)O)C1(C)C",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)O",
        "std_free_energy": -8.727714538574219,
        "relative_population": 0.7127023360290906
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)[O-]",
        "std_free_energy": -7.819169521331787,
        "relative_population": 0.2872976639709094
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)[O-]",
        "std_free_energy": -9.899454116821289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.01,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.53,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]