[
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    "molid": "mol31977",
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    "microspecies": [
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        "id": "0_6",
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        "smiles": "O=S(=O)(CCCOCCc1ccc(O)cc1)CC[NH2+]CCc1ccc([O-])c2nc(O)sc12",
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        "id": "0_7",
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        "smiles": "O=S(=O)(CCCOCCc1ccc(O)cc1)CC[NH2+]CCc1ccc(O)c2nc([O-])sc12",
        "std_free_energy": -5.077191352844238,
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        "id": "-1_4",
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        "std_free_energy": 0.4264323115348816,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]