[
  {
    "molid": "mol12429",
    "smiles": "CCCn1cncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCn1cncn1",
        "std_free_energy": -7.164375305175781,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCn1c[nH+]cn1",
        "std_free_energy": 3.274885416030884,
        "relative_population": 0.34714882581396495
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCn1cnc[nH+]1",
        "std_free_energy": 2.643289804458618,
        "relative_population": 0.652851174186035
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.3599999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.35999989509583,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]