[
  {
    "molid": "mol33230",
    "smiles": "O=[SH](=O)c1cc(O)cc2cn[nH]c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[SH](=O)c1cc(O)cc2cn[nH]c12",
        "std_free_energy": -5.985604286193848,
        "relative_population": 0.9999999927934589
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[SH](=O)c1cc([O-])cc2cn[nH]c12",
        "std_free_energy": -1.16994047164917,
        "relative_population": 0.5357642495656666
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[SH](=O)c1cc(O)cc2cn[n-]c12",
        "std_free_energy": -1.0266387462615967,
        "relative_population": 0.46423575043433335
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]