[
  {
    "molid": "mol33849",
    "smiles": "CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1",
        "std_free_energy": -6.365447998046875,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1",
        "std_free_energy": -5.799051284790039,
        "relative_population": 0.999799207303087
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]