[
  {
    "molid": "mol34068",
    "smiles": "CN(N=O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(N=O)c1cccnc1",
        "std_free_energy": -7.250945568084717,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](N=O)c1cccnc1",
        "std_free_energy": 0.20187461376190186,
        "relative_population": 0.41274787119522666
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(N=O)c1ccc[nH+]c1",
        "std_free_energy": -0.15074270963668823,
        "relative_population": 0.5872521288047734
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]