[
  {
    "molid": "mol34228",
    "smiles": "CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)[O-]",
        "std_free_energy": -7.994349479675293,
        "relative_population": 0.2693687692616709
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)O",
        "std_free_energy": -8.99217700958252,
        "relative_population": 0.7306312307383291
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)[O-]",
        "std_free_energy": -9.899452209472656,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]