[
  {
    "molid": "mol36810",
    "smiles": "O=S(=O)(O)c1ccc(N=Nc2c(-c3ccccc3)noc2O)cc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)(O)c1ccc(N=Nc2c(-c3ccccc3)noc2[O-])cc1",
        "std_free_energy": -8.199358940124512,
        "relative_population": 0.6209348267976609
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2c(-c3ccccc3)noc2O)cc1",
        "std_free_energy": -7.704107284545898,
        "relative_population": 0.3784085651331032
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(N=Nc2c(-c3ccccc3)noc2[O-])cc1",
        "std_free_energy": -13.414146423339844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]