[
  {
    "molid": "mol38084",
    "smiles": "CC(CCOC(=O)N(C)C)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CCOC(=O)N(C)C)N(C)C",
        "std_free_energy": -2.8293817043304443,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](CCOC(=O)N(C)C)[NH+](C)C",
        "std_free_energy": -8.667353630065918,
        "relative_population": 0.9994815070274587
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.85000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]