[
  {
    "molid": "mol31736",
    "smiles": "O=S(=O)(O)c1cc(/N=N/c2ccccc2)c(O)c2ncccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])c1cc(/N=N/c2ccccc2)c(O)c2[nH+]cccc12",
        "std_free_energy": 0.8396744728088379,
        "relative_population": 0.1121558714780165
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1cc(/N=N/c2ccccc2)c(O)c2ncccc12",
        "std_free_energy": -1.2173007726669312,
        "relative_population": 0.8773139050795608
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(/N=N/c2ccccc2)c(O)c2ncccc12",
        "std_free_energy": -8.782156944274902,
        "relative_population": 0.9830625663078333
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.41,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]