[
  {
    "molid": "mol14840",
    "smiles": "CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C",
        "std_free_energy": -1.8404381275177002,
        "relative_population": 0.30665102310219716
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[NH+]1CC[C@]2(C)c3cc([O-])ccc3C[C@H]1[C@H]2C",
        "std_free_energy": -2.6562612056732178,
        "relative_population": 0.693348976897803
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN1CC[C@]2(C)c3cc([O-])ccc3C[C@H]1[C@H]2C",
        "std_free_energy": 6.044508934020996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]