[
  {
    "molid": "mol37942",
    "smiles": "O=S(=O)(O)c1ccc(/N=N/c2c(O)c(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c3ccccc23)cc1",
    "microspecies": [
      {
        "id": "0_10",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1ccc(/N=N/c2c(O)c(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c3ccccc23)cc1",
        "std_free_energy": 1.979997158050537,
        "relative_population": 0.9989844762207823
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(/N=N/c2c(O)c(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c3ccccc23)cc1",
        "std_free_energy": -3.3213770389556885,
        "relative_population": 0.889988367659374
      },
      {
        "id": "-1_21",
        "charge": -1,
        "smiles": "O=S(=O)(O)c1ccc(/N=N/c2c([O-])c(O)c(/N=N/c3ccc(S(=O)(=O)O)cc3)c3ccccc23)cc1",
        "std_free_energy": -1.20473313331604,
        "relative_population": 0.10718587607828889
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]