[
  {
    "molid": "mol33595",
    "smiles": "CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -6.88523006439209,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]c1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -0.5383005142211914,
        "relative_population": 0.480166080763566
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "CNc1ccc([NH2+]CCO)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -0.5198938250541687,
        "relative_population": 0.4714086578019573
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]