[
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    "molid": "mol34609",
    "smiles": "COc1ccc(C=Nc2ccc(C(=O)NCC(=O)O)cc2)cc1",
    "microspecies": [
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        "std_free_energy": -4.3870344161987305,
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        "smiles": "COc1ccc(C=Nc2ccc(C(=O)NCC(O)=[OH+])cc2)cc1",
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        "id": "1_3",
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        "smiles": "COc1ccc(C=Nc2ccc(C(=[OH+])NCC(=O)O)cc2)cc1",
        "std_free_energy": 5.4064435958862305,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]