[
  {
    "molid": "mol31890",
    "smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2C(=O)O",
        "std_free_energy": -2.9477264881134033,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2C(=O)[O-]",
        "std_free_energy": -9.534754753112793,
        "relative_population": 0.9937388675958696
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.76,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]