[
  {
    "molid": "mol37951",
    "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3cc(S(=O)(=O)O)ccc23)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3cc(S(=O)(=O)[O-])ccc23)cc1",
        "std_free_energy": -7.344626426696777,
        "relative_population": 0.9869394152613001
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2ccc([O-])c3cc(S(=O)(=O)[O-])ccc23)cc1",
        "std_free_energy": -4.644196033477783,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.67999982833862,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]