[
  {
    "molid": "mol38238",
    "smiles": "O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccccc3)c(O)ccc2c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccccc3)c([O-])ccc2c1",
        "std_free_energy": -4.108074188232422,
        "relative_population": 1.0
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccccc3)c(O)ccc2c1",
        "std_free_energy": -10.551875114440918,
        "relative_population": 0.994377338057344
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1499996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]