[
  {
    "molid": "mol17414",
    "smiles": "O=S(=O)(Cc1ccccc1)c1nc(O)n[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(Cc1ccccc1)c1nc(O)n[nH]1",
        "std_free_energy": -4.239664077758789,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)(Cc1ccccc1)c1nc(O)n[n-]1",
        "std_free_energy": -6.406822204589844,
        "relative_population": 0.6923769696121007
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)(Cc1ccccc1)c1nc([O-])n[nH]1",
        "std_free_energy": -5.595566749572754,
        "relative_population": 0.3076230303878994
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]