[
  {
    "molid": "mol15649",
    "smiles": "Cc1cc(-c2ccccc2)nn(C)c1=NCCN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(-c2ccccc2)nn(C)c1=NCCN1CCOCC1",
        "std_free_energy": -0.8698675632476807,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(-c2ccccc2)[nH+]n(C)c1=NCCN1CCOCC1",
        "std_free_energy": -9.063993453979492,
        "relative_population": 0.3164937927174871
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(-c2ccccc2)nn(C)c1=NCC[NH+]1CCOCC1",
        "std_free_energy": -7.380420684814453,
        "relative_population": 0.058775838462724474
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(-c2ccccc2)nn(C)c1=[NH+]CCN1CCOCC1",
        "std_free_energy": -9.744009971618652,
        "relative_population": 0.6247303688197884
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.37,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]