[
  {
    "molid": "mol35620",
    "smiles": "CCCc1cc(/N=N/c2cccc3c(S(=O)(=O)O)cccc23)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1cc(/N=N/c2cccc3c(S(=O)(=O)[O-])cccc23)ccc1O",
        "std_free_energy": -8.805999755859375,
        "relative_population": 0.9998674646828379
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCc1cc(/N=N/c2cccc3c(S(=O)(=O)[O-])cccc23)ccc1[O-]",
        "std_free_energy": -1.37826669216156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]