[
  {
    "molid": "mol34320",
    "smiles": "CC(C(=O)O)S(=O)(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C(=O)O)S(=O)(=O)c1ccccc1",
        "std_free_energy": -1.9542008638381958,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](C(=O)[O-])S(=O)(=O)c1ccccc1",
        "std_free_energy": -11.574394226074219,
        "relative_population": 0.9999825514767371
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.54999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]