[
  {
    "molid": "mol38384",
    "smiles": "CN(C)C[C@H]1[C@H]2CC[C@@](C)([C@@H]1N)C2(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C[C@H]1[C@H]2CC[C@@](C)([C@@H]1[NH3+])C2(C)C",
        "std_free_energy": -7.449878215789795,
        "relative_population": 0.4555316224768859
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)C[C@H]1[C@H]2CC[C@@](C)([C@@H]1N)C2(C)C",
        "std_free_energy": -7.628222942352295,
        "relative_population": 0.5444683775231142
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)C[C@H]1[C@H]2CC[C@@](C)([C@@H]1[NH3+])C2(C)C",
        "std_free_energy": -9.136245727539062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]