[
  {
    "molid": "mol34201",
    "smiles": "CNC1CCN(C)CC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]C1CCN(C)CC1",
        "std_free_energy": -8.480478286743164,
        "relative_population": 0.720235405838444
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNC1CC[NH+](C)CC1",
        "std_free_energy": -7.534848690032959,
        "relative_population": 0.2797645941615559
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+]C1CC[NH+](C)CC1",
        "std_free_energy": -10.016378402709961,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.34000015258789,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]