[
  {
    "molid": "mol31716",
    "smiles": "C[C@H](C(=O)O)S(=O)(=O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](C(=O)O)S(=O)(=O)[O-]",
        "std_free_energy": -8.991911888122559,
        "relative_population": 0.7903857573640334
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@H](C(=O)[O-])S(=O)(=O)O",
        "std_free_energy": -7.6625657081604,
        "relative_population": 0.20917577909427387
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@H](C(=O)[O-])S(=O)(=O)[O-]",
        "std_free_energy": -13.834720611572266,
        "relative_population": 0.9995357701234097
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.99,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]