[
  {
    "molid": "mol31821",
    "smiles": "C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O",
        "std_free_energy": -7.352441787719727,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@]12CC[C@H]3C(=CCc4cc([O-])ccc43)[C@@H]1CC[C@@H]2O",
        "std_free_energy": 2.395014524459839,
        "relative_population": 0.986057311926394
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.77,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]