[
  {
    "molid": "mol33228",
    "smiles": "O=[SH](=O)c1ccc(O)c2[nH]ncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[SH](=O)c1ccc(O)c2[nH]ncc12",
        "std_free_energy": -3.989262580871582,
        "relative_population": 0.9999996890448477
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[SH](=O)c1ccc([O-])c2[nH]ncc12",
        "std_free_energy": -3.522451162338257,
        "relative_population": 0.8098294132380776
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[SH](=O)c1ccc(O)c2[n-]ncc12",
        "std_free_energy": -2.0735490322113037,
        "relative_population": 0.1901705867619224
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]