[
  {
    "molid": "mol37806",
    "smiles": "O=C1S[C@@H]([C@H](O)CO)C(O)=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1S[C@@H]([C@H](O)CO)C(O)=C1O",
        "std_free_energy": -2.817638874053955,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1S[C@@H]([C@H](O)CO)C([O-])=C1O",
        "std_free_energy": -7.1967315673828125,
        "relative_population": 0.9234009496580003
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1S[C@@H]([C@H](O)CO)C(O)=C1[O-]",
        "std_free_energy": -4.707134246826172,
        "relative_population": 0.07658997687215423
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]