[
  {
    "molid": "mol37534",
    "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)O)cc23)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc(O)c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -7.209720611572266,
        "relative_population": 0.995063546997135
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1cccc(/N=N/c2ccc([O-])c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -3.9088611602783203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.46999979019165,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]