[
  {
    "molid": "mol37907",
    "smiles": "CCOC(=O)CS(=O)(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)CS(=O)(=O)[O-]",
        "std_free_energy": -11.730513572692871,
        "relative_population": 0.9995907412396078
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOC(=O)[CH-]S(=O)(=O)[O-]",
        "std_free_energy": -5.258771896362305,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.2399997711182,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]