[
  {
    "molid": "mol34297",
    "smiles": "CC(SCC(=O)O)(SCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(SCC(=O)O)(SCC(=O)O)C(=O)O",
        "std_free_energy": 1.241495132446289,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(SCC(=O)[O-])(SCC(=O)O)C(=O)O",
        "std_free_energy": -6.5081071853637695,
        "relative_population": 0.5643505512567351
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(SCC(=O)O)(SCC(=O)O)C(=O)[O-]",
        "std_free_energy": -6.249269485473633,
        "relative_population": 0.435649448743265
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.47000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]