[
  {
    "molid": "mol33098",
    "smiles": "CC(S)C=O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](S)C=O",
        "std_free_energy": -5.4770917892456055,
        "relative_population": 0.9998885593042136
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]([S-])C=O",
        "std_free_energy": -1.762326717376709,
        "relative_population": 0.9496269638087883
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C-](S)C=O",
        "std_free_energy": 1.1742864847183228,
        "relative_population": 0.050373036191211584
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]