[
  {
    "molid": "mol38028",
    "smiles": "C1CNCCNCCOCCNCCN1",
    "microspecies": [
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1C[NH2+]CC[NH2+]CCOCC[NH2+]CCN1",
        "std_free_energy": -10.552369117736816,
        "relative_population": 0.6696967469383281
      },
      {
        "id": "3_2",
        "charge": 3,
        "smiles": "C1C[NH2+]CC[NH2+]CC[NH2+]CCOCCN1",
        "std_free_energy": -9.845555305480957,
        "relative_population": 0.33030325306167174
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "C1C[NH2+]CC[NH2+]CCOCC[NH2+]CC[NH2+]1",
        "std_free_energy": -7.1639323234558105,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.20000004768372,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]