[
  {
    "molid": "mol38475",
    "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": -7.9152984619140625,
        "relative_population": 0.5201008406912692
      },
      {
        "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": -7.8348517417907715,
        "relative_population": 0.47989915930873084
      },
      {
        "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": -8.488861083984375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59000015258789,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]