[
  {
    "molid": "mol25315",
    "smiles": "Cn1ncnc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1ncnc1[N+](=O)[O-]",
        "std_free_energy": -6.699800491333008,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1nc[nH+]c1[N+](=O)[O-]",
        "std_free_energy": 10.243139266967773,
        "relative_population": 0.7009559845944292
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1[nH+]cnc1[N+](=O)[O-]",
        "std_free_energy": 11.094993591308594,
        "relative_population": 0.29904401540557085
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.83,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]