[
  {
    "molid": "mol35987",
    "smiles": "O=C(O)C1=NCCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C1=[NH+]CCCN1",
        "std_free_energy": -12.023799896240234,
        "relative_population": 0.999379750024417
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C1=NCCCN1",
        "std_free_energy": -3.344613790512085,
        "relative_population": 0.9852677208501706
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]