[
  {
    "molid": "mol26872",
    "smiles": "CC(=O)C(C(C)=O)S(C)(=O)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(C(C)=O)S(C)(=O)=O",
        "std_free_energy": -2.267364501953125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)[C-](C(C)=O)S(C)(=O)=O",
        "std_free_energy": -6.318295001983643,
        "relative_population": 0.9648290953944378
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]