[
  {
    "molid": "mol36540",
    "smiles": "CNC(=NC#N)NC#N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=NC#N)NC#N",
        "std_free_energy": -5.488072872161865,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[N-]C(=NC#N)NC#N",
        "std_free_energy": -3.7128591537475586,
        "relative_population": 0.15427039914962357
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=NC#N)[N-]C#N",
        "std_free_energy": -5.414351940155029,
        "relative_population": 0.8457296008503765
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.34999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]