[
  {
    "molid": "mol36084",
    "smiles": "CN(C)C(=O)OCCC(N(C)C)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C(=O)OCC[C@@H](N(C)C)C(F)(F)F",
        "std_free_energy": -6.463568687438965,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)C(=O)OCC[C@@H]([NH+](C)C)C(F)(F)F",
        "std_free_energy": -4.383388519287109,
        "relative_population": 0.9961161673266962
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.48999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]