[
  {
    "molid": "mol11079",
    "smiles": "CN(C)Cc1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cccc(O)c1[O-]",
        "std_free_energy": -4.608460903167725,
        "relative_population": 0.4144461146909396
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)Cc1cccc(O)c1O",
        "std_free_energy": -4.135105133056641,
        "relative_population": 0.2581619742923729
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cccc([O-])c1O",
        "std_free_energy": -4.372675895690918,
        "relative_population": 0.32739191101668746
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1cccc(O)c1O",
        "std_free_energy": -9.435968399047852,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.01,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.0100002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.01000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]