[
  {
    "molid": "mol11620",
    "smiles": "CCc1cccc(CN(C)C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cccc(C[NH+](C)C)c1[O-]",
        "std_free_energy": -3.8463921546936035,
        "relative_population": 0.3517956555597306
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCc1cccc(CN(C)C)c1O",
        "std_free_energy": -4.457547664642334,
        "relative_population": 0.6482043444402694
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cccc(C[NH+](C)C)c1O",
        "std_free_energy": -8.75365924835205,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.0200005,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.02000045776367,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]