[
  {
    "molid": "mol32539",
    "smiles": "CC(C1CC1C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]([C@@H]1C[C@H]1C(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": -3.8928494453430176,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]([C@@H]1C[C@H]1C(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": -8.175019264221191,
        "relative_population": 0.9999923932236799
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0100002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]