[
  {
    "molid": "mol38555",
    "smiles": "CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N(C[C@H](C)C(=O)O)c1c(I)cc(I)c(N)c1I",
        "std_free_energy": -4.990170955657959,
        "relative_population": 0.9964430824789047
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N(C[C@H](C)C(=O)[O-])c1c(I)cc(I)c(N)c1I",
        "std_free_energy": -9.676606178283691,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]