[
  {
    "molid": "mol15568",
    "smiles": "CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)[C@H]1O",
        "std_free_energy": -0.9308586120605469,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)=CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C([O-])[C@H]1O",
        "std_free_energy": -10.881658554077148,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]