[
  {
    "molid": "mol11074",
    "smiles": "CN(C)Cc1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1cccc(O)c1",
        "std_free_energy": -3.2613706588745117,
        "relative_population": 0.5715247302099533
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cccc([O-])c1",
        "std_free_energy": -2.9732959270477295,
        "relative_population": 0.4284752697900467
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1cccc(O)c1",
        "std_free_energy": -9.42448902130127,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.8800001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]