[
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    "molid": "mol36131",
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    "microspecies": [
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        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])Cc1ccc(-c2cccc3cccc(-c4cccc(CN(CC(=O)O)CC(=O)O)c4)c23)cc1",
        "std_free_energy": -5.685345649719238,
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      {
        "id": "-1_5",
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        "smiles": "O=C([O-])CN(CC(=O)O)Cc1cccc(-c2cccc3cccc(-c4ccc(C[NH+](CC(=O)[O-])CC(=O)O)cc4)c23)c1",
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        "id": "-1_6",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])Cc1cccc(-c2cccc3cccc(-c4ccc(CN(CC(=O)O)CC(=O)O)cc4)c23)c1",
        "std_free_energy": -5.97605037689209,
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        "charge": -1,
        "smiles": "O=C([O-])CN(CC(=O)O)Cc1ccc(-c2cccc3cccc(-c4cccc(C[NH+](CC(=O)[O-])CC(=O)O)c4)c23)cc1",
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        "id": "-1_8",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])Cc1cccc(-c2cccc3cccc(-c4ccc(C[NH+](CC(=O)[O-])CC(=O)O)cc4)c23)c1",
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        "id": "-1_9",
        "charge": -1,
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        "relative_population": 0.23268084836172928
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      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])Cc1ccc(-c2cccc3cccc(-c4cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])c4)c23)cc1",
        "std_free_energy": -14.62063217163086,
        "relative_population": 0.9791425979953733
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    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]