[
  {
    "molid": "mol34374",
    "smiles": "COc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)ccc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)ccc1O",
        "std_free_energy": -5.493191719055176,
        "relative_population": 0.9999857108499066
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)ccc1[O-]",
        "std_free_energy": -2.9527344703674316,
        "relative_population": 0.8986545958114359
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc(/N=N/c2ccc(S([NH-])(=O)=O)cc2)ccc1O",
        "std_free_energy": -0.7703702449798584,
        "relative_population": 0.10134540418856405
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.76000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]