[
  {
    "molid": "mol11607",
    "smiles": "CCCCN=Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCN=Cc1ccccc1O",
        "std_free_energy": -4.880458354949951,
        "relative_population": 0.5940374654809768
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCC[NH+]=Cc1ccccc1[O-]",
        "std_free_energy": -4.499776840209961,
        "relative_population": 0.4059625345190232
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCN=Cc1ccccc1[O-]",
        "std_free_energy": 4.863757133483887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]