[
  {
    "molid": "mol15488",
    "smiles": "CN(C)Cc1cc(OCc2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1cc(OCc2ccccc2)ccc1O",
        "std_free_energy": -4.6111979484558105,
        "relative_population": 0.7882684332463259
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cc(OCc2ccccc2)ccc1[O-]",
        "std_free_energy": -3.2966785430908203,
        "relative_population": 0.21173156675367405
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)Cc1cc(OCc2ccccc2)ccc1[O-]",
        "std_free_energy": 6.512750148773193,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]