[
  {
    "molid": "mol34884",
    "smiles": "CS(=O)(=O)C1CCCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CS(=O)(=O)[C@H]1CCCCC1=O",
        "std_free_energy": -5.753297328948975,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CS(=O)(=O)[C-]1CCCCC1=O",
        "std_free_energy": 3.283043384552002,
        "relative_population": 0.653406655051811
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CS(=O)(=O)[C@H]1CCC[CH-]C1=O",
        "std_free_energy": 3.917090892791748,
        "relative_population": 0.34659334494818905
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.460000038147,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]