[
  {
    "molid": "mol12139",
    "smiles": "O=S(=O)(O)c1cc2ccccc2c(O)c1N=Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc2ccccc2c(O)c1N=Nc1ccc(Cl)cc1",
        "std_free_energy": -8.58230209350586,
        "relative_population": 0.9942195901436749
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc2ccccc2c([O-])c1N=Nc1ccc(Cl)cc1",
        "std_free_energy": -3.406567096710205,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]