[
  {
    "molid": "mol37254",
    "smiles": "C[C@@H](C(=O)c1ccc(O)cc1)N(C)Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)c1ccc([O-])cc1)[NH+](C)Cc1ccccc1",
        "std_free_energy": -3.521212577819824,
        "relative_population": 0.28143202845207677
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)c1ccc(O)cc1)N(C)Cc1ccccc1",
        "std_free_energy": -4.458581924438477,
        "relative_population": 0.7185679715479233
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)c1ccc([O-])cc1)N(C)Cc1ccccc1",
        "std_free_energy": 1.3046586513519287,
        "relative_population": 0.9996835115726272
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]