[
  {
    "molid": "mol33227",
    "smiles": "O=[SH](=O)c1cc(O)cc2[nH]ncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[SH](=O)c1cc(O)cc2[nH]ncc12",
        "std_free_energy": -5.634037971496582,
        "relative_population": 0.9999999181173688
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[SH](=O)c1cc([O-])cc2[nH]ncc12",
        "std_free_energy": -2.0272111892700195,
        "relative_population": 0.8849323445640968
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[SH](=O)c1cc(O)cc2[n-]ncc12",
        "std_free_energy": 0.01277974247932434,
        "relative_population": 0.11506765543590325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]