[
  {
    "molid": "mol12230",
    "smiles": "CC(=O)c1cccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1cccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -7.029479026794434,
        "relative_population": 0.989398451089077
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)c1cccc(N=Nc2ccc([O-])c3ccc(S(=O)(=O)[O-])cc23)c1",
        "std_free_energy": -3.3454320430755615,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]