[
  {
    "molid": "mol30254",
    "smiles": "OC[C@H]1CCN2CC[C@@H](O)[C@@H]12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@H]1CCN2CC[C@@H](O)[C@@H]12",
        "std_free_energy": -0.8303898572921753,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC[C@H]1CC[NH+]2CC[C@@H](O)[C@@H]12",
        "std_free_energy": -9.86614990234375,
        "relative_population": 0.9987694437103667
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2399997711182,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]