[
  {
    "molid": "mol38172",
    "smiles": "CCON1CCNCC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCON1CC[NH2+]CC1",
        "std_free_energy": -8.816093444824219,
        "relative_population": 0.9796927728990505
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCO[NH+]1CC[NH2+]CC1",
        "std_free_energy": -1.9964303970336914,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1800000667572,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]