[
  {
    "molid": "mol37944",
    "smiles": "O=S(=O)(O)c1cc(N=Nc2ncc(Cl)cc2Cl)c(O)c2ccccc12",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ncc(Cl)cc2Cl)c(O)c2ccccc12",
        "std_free_energy": -7.040681838989258,
        "relative_population": 0.9500288236600857
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ncc(Cl)cc2Cl)c([O-])c2ccccc12",
        "std_free_energy": -6.993481636047363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.98999977111816,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]