[
  {
    "molid": "mol13358",
    "smiles": "CC[C@@H](C(=O)O)[C@@]1(O)C[C@H]2CC[C@@H]1C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C(=O)O)[C@@]1(O)C[C@H]2CC[C@@H]1C2",
        "std_free_energy": -3.533390998840332,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@H](C(=O)[O-])[C@@]1(O)C[C@H]2CC[C@@H]1C2",
        "std_free_energy": -9.55622673034668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]