[
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    "molid": "mol36181",
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    "microspecies": [
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        "smiles": "O=C(O)CNC(=[OH+])c1ccc([NH+]=Cc2ccccc2)cc1",
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        "id": "2_3",
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        "smiles": "O=C(NCC(O)=[OH+])c1ccc([NH+]=Cc2ccccc2)cc1",
        "std_free_energy": 21.3101806640625,
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    "macro_pka_values": [
      {
        "pka_value": 2.0699999332428,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]