[
  {
    "molid": "mol35055",
    "smiles": "CC(C)=C1C2C(C(=O)O)=C(C(=O)O)C1C(C(=O)O)=C2C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)=C1[C@H]2C(C(=O)O)=C(C(=O)O)[C@@H]1C(C(=O)O)=C2C(=O)O",
        "std_free_energy": 3.5376393795013428,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)=C1[C@H]2C(C(=O)O)=C(C(=O)[O-])[C@@H]1C(C(=O)O)=C2C(=O)O",
        "std_free_energy": -4.039078712463379,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]