[
  {
    "molid": "mol35057",
    "smiles": "CC(C)=C1C2C3C2(C(=O)O)C2C1C32C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)=C1[C@@H]2[C@H]3[C@]2(C(=O)[O-])[C@H]2[C@@H]1[C@]23C(=O)O",
        "std_free_energy": -8.616243362426758,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)=C1[C@@H]2[C@H]3[C@]2(C(=O)[O-])[C@H]2[C@@H]1[C@]23C(=O)[O-]",
        "std_free_energy": -11.406689643859863,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.05999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]