[
  {
    "molid": "mol33781",
    "smiles": "C1CNCCNCCNCCNCCN1",
    "microspecies": [
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "C1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CCN1",
        "std_free_energy": -10.708415985107422,
        "relative_population": 1.0
      },
      {
        "id": "5_1",
        "charge": 5,
        "smiles": "C1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1",
        "std_free_energy": -7.505043983459473,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.74000000953674,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]