[
  {
    "molid": "mol35344",
    "smiles": "Cc1cc(C)c2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)sc2n1",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "Cc1cc(C)c2c(O)c(N=Nc3ccc(S(=O)(=O)[O-])cc3)sc2n1",
        "std_free_energy": -9.378897666931152,
        "relative_population": 0.9899635309797368
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(C)c2c([O-])c(N=Nc3ccc(S(=O)(=O)[O-])cc3)sc2n1",
        "std_free_energy": -3.180626630783081,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.06999969482422,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]