[
  {
    "molid": "mol28618",
    "smiles": "Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1",
        "std_free_energy": -6.129714012145996,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1",
        "std_free_energy": -3.588290214538574,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]