[
  {
    "molid": "mol36224",
    "smiles": "CC(=O)OC(COc1cccc2ccccc12)CN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)O[C@H](COc1cccc2ccccc12)CN(C)C",
        "std_free_energy": -3.516812324523926,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)O[C@H](COc1cccc2ccccc12)C[NH+](C)C",
        "std_free_energy": -7.914127826690674,
        "relative_population": 0.9995943670689436
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]