[
  {
    "molid": "mol24979",
    "smiles": "O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=N\\Nc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=N\\Nc2ccccc2)cc1",
        "std_free_energy": -6.409623146057129,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=[NH+]\\Nc2ccccc2)cc1",
        "std_free_energy": 6.0717597007751465,
        "relative_population": 0.14132331170776208
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc(C(/N=[NH+]/c2ccccc2)=N\\Nc2ccccc2)cc1",
        "std_free_energy": 5.148642063140869,
        "relative_population": 0.35572853362044665
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=N\\[NH2+]c2ccccc2)cc1",
        "std_free_energy": 4.802322864532471,
        "relative_population": 0.5029481546717912
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]