[
  {
    "molid": "mol5481",
    "smiles": "N[C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)[O-]",
        "std_free_energy": -9.213644027709961,
        "relative_population": 0.9977308382178468
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O",
        "std_free_energy": -1.53353750705719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.11999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]