[
  {
    "molid": "mol37598",
    "smiles": "C[C@H]1CCN2CC=C[C@@H]12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CCN2CC=C[C@@H]12",
        "std_free_energy": -0.6451537013053894,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CC[NH+]2CC=C[C@@H]12",
        "std_free_energy": -9.631828308105469,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5900001525879,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]