[
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    "molid": "mol37743",
    "smiles": "COc1ccc(CCOC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)cc1",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "COc1ccc(CCOC(=O)[C@@H]([NH3+])Cc2ccc(O)c([O-])c2)cc1",
        "std_free_energy": -2.269265651702881,
        "relative_population": 0.07231103615569558
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        "id": "0_2",
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        "smiles": "COc1ccc(CCOC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)cc1",
        "std_free_energy": -4.762284278869629,
        "relative_population": 0.8748000873083887
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      {
        "id": "0_3",
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        "smiles": "COc1ccc(CCOC(=O)[C@@H]([NH3+])Cc2ccc([O-])c(O)c2)cc1",
        "std_free_energy": -1.95648193359375,
        "relative_population": 0.052888876535915834
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        "id": "1_1",
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        "smiles": "COc1ccc(CCOC(=O)[C@@H]([NH3+])Cc2ccc(O)c(O)c2)cc1",
        "std_free_energy": -7.843596458435059,
        "relative_population": 0.999959780726995
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.01999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]