[
  {
    "molid": "mol13283",
    "smiles": "CCN(CC)Cc1c(C)cccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH+](CC)Cc1c(C)cccc1[O-]",
        "std_free_energy": -3.9051027297973633,
        "relative_population": 0.7542401558242826
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCN(CC)Cc1c(C)cccc1O",
        "std_free_energy": -2.7837467193603516,
        "relative_population": 0.24575984417571742
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)Cc1c(C)cccc1O",
        "std_free_energy": -9.420199394226074,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6499996,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]