[
  {
    "molid": "mol14333",
    "smiles": "CCCN(CCC)Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN(CCC)Cc1ccccc1O",
        "std_free_energy": -3.408520221710205,
        "relative_population": 0.3042682405080702
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCC[NH+](CCC)Cc1ccccc1[O-]",
        "std_free_energy": -4.235574722290039,
        "relative_population": 0.6957317594919298
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+](CCC)Cc1ccccc1O",
        "std_free_energy": -9.019464492797852,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.3000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]