[
  {
    "molid": "mol35229",
    "smiles": "N#CN=C(N)NC#N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#CN=C(N)NC#N",
        "std_free_energy": -4.233502388000488,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#CN=C(N)[N-]C#N",
        "std_free_energy": -4.929480075836182,
        "relative_population": 0.7719238486473664
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#CN=C([NH-])NC#N",
        "std_free_energy": -3.7102737426757812,
        "relative_population": 0.22807615135263362
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.54999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]