[
  {
    "molid": "mol34999",
    "smiles": "CC(C(=O)O)[S+]([O-])CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](C(=O)[O-])[S@@+](O)CC(=O)O",
        "std_free_energy": -4.6704301834106445,
        "relative_population": 0.7655954041499881
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "C[C@H](C(=O)O)[S@@+](O)CC(=O)[O-]",
        "std_free_energy": -3.4627151489257812,
        "relative_population": 0.22882071722006458
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@H](C(=O)[O-])[S@@+](O)CC(=O)[O-]",
        "std_free_energy": -12.250104904174805,
        "relative_population": 0.9700504077464545
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]