[
  {
    "molid": "mol35878",
    "smiles": "CCOC(=O)c1cc2c([nH]1)-c1cccnc1C(=O)C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cc2c([nH]1)-c1cccnc1C(=O)C2=O",
        "std_free_energy": -5.7414326667785645,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=[OH+])c1cc2c([nH]1)-c1cccnc1C(=O)C2=O",
        "std_free_energy": 6.239315032958984,
        "relative_population": 0.08520740247085928
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)c1cc2c([nH]1)-c1ccc[nH+]c1C(=O)C2=O",
        "std_free_energy": 4.4741644859313965,
        "relative_population": 0.4978201466803197
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCOC(=O)c1cc2c([nH]1)-c1cccnc1C(=O)C2=[OH+]",
        "std_free_energy": 5.309321880340576,
        "relative_population": 0.21595746481513914
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CCOC(=O)c1cc2c([nH]1)-c1cccnc1C(=[OH+])C2=O",
        "std_free_energy": 5.38102388381958,
        "relative_population": 0.20101498603368198
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.39999997615814,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]