[
  {
    "molid": "mol34089",
    "smiles": "CCCCNS(=O)(=O)NCCCC",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC[N-]S(=O)(=O)NCCCC",
        "std_free_energy": 3.0874946117401123,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCC[N-]S(=O)(=O)[N-]CCCC",
        "std_free_energy": 7.386512756347656,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.289999961853,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]