[
  {
    "molid": "mol28320",
    "smiles": "NS(=O)(=O)Nc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]S(=O)(=O)Nc1ccccc1",
        "std_free_energy": -1.1420886516571045,
        "relative_population": 0.5294741113269867
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NS(=O)(=O)[N-]c1ccccc1",
        "std_free_energy": -1.0240553617477417,
        "relative_population": 0.47052588867301326
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH-]S(=O)(=O)[N-]c1ccccc1",
        "std_free_energy": 6.294251441955566,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]