[
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    "molid": "mol38491",
    "smiles": "C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)O",
        "std_free_energy": -5.449470043182373,
        "relative_population": 0.937337613042394
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        "id": "1_1",
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        "smiles": "C/C(=C/C=C/[C@@H](C)C(O)=[OH+])[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O",
        "std_free_energy": 8.477110862731934,
        "relative_population": 0.07922245101926724
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      {
        "id": "1_3",
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        "smiles": "C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(O)=[OH+]",
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        "id": "1_4",
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        "smiles": "C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1C[NH2+][C@H](C(=O)O)[C@H]1CC(=O)O",
        "std_free_energy": 6.489831924438477,
        "relative_population": 0.5779796551836027
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.85000002384186,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]