[
  {
    "molid": "mol37970",
    "smiles": "O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -8.780457496643066,
        "relative_population": 0.9996760131569679
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N/[N-]c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -2.17004132270813,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]