[
  {
    "molid": "mol24221",
    "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1",
        "std_free_energy": -7.7298903465271,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc(/N=[NH+]/c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1",
        "std_free_energy": 10.048199653625488,
        "relative_population": 0.8508866768461668
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc([NH2+]c3ccc([N+](=O)[O-])cc3)cc2)cc1",
        "std_free_energy": 11.789772033691406,
        "relative_population": 0.14911332315383324
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]