[
  {
    "molid": "mol14442",
    "smiles": "CN(C)Cc1ccc(CN(C)C)c(O)c1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)Cc1ccc(C[NH+](C)C)c(O)c1O",
        "std_free_energy": -9.665590286254883,
        "relative_population": 0.9697830236080407
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)Cc1ccc(C[NH+](C)C)c(O)c1O",
        "std_free_energy": -8.944337844848633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.39,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.3899999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.3899998664856,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]