[
  {
    "molid": "mol32354",
    "smiles": "O=S(=O)(O)c1ccc2c(N=Nc3ccc4[nH]cnc4c3)c(O)c(S(=O)(=O)O)cc2c1",
    "microspecies": [
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1ccc2c(N=Nc3ccc4[nH]cnc4c3)c([O-])c(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -4.000236988067627,
        "relative_population": 0.9808327166772346
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c(N=Nc3ccc4[nH]cnc4c3)c(O)c(S(=O)(=O)[O-])cc2c1",
        "std_free_energy": -11.806138038635254,
        "relative_population": 0.9983005142453218
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8000002,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.80000019073486,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]