[
  {
    "molid": "mol36229",
    "smiles": "CN(C)CC1CCCN1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C[C@H]1CCC[NH2+]1",
        "std_free_energy": -8.11574935913086,
        "relative_population": 0.5567286227522985
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)C[C@H]1CCCN1",
        "std_free_energy": -7.887853622436523,
        "relative_population": 0.44327137724770155
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)C[C@H]1CCC[NH2+]1",
        "std_free_energy": -8.945919036865234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.76999998092651,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]