[
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        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])Cc1cc(S(=O)(=O)O)cc(C[NH+](CC(=O)O)CC(=O)O)c1O",
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    "macro_pka_values": [
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        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]