[
  {
    "molid": "mol30713",
    "smiles": "CN(C)Cc1cc(-c2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cc(-c2ccccc2)ccc1[O-]",
        "std_free_energy": -4.32923698425293,
        "relative_population": 0.5398872477737013
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)Cc1cc(-c2ccccc2)ccc1O",
        "std_free_energy": -4.169348239898682,
        "relative_population": 0.4601127522262987
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)Cc1cc(-c2ccccc2)ccc1[O-]",
        "std_free_energy": 5.011775016784668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]