[
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    "molid": "mol38148",
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    "microspecies": [
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        "charge": 1,
        "smiles": "CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(=O)[C@@H](O)CCN)C[C@@H]2[NH3+])[C@H](O)[C@@H](O)[C@@H]1O",
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        "smiles": "CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(=O)[C@@H](O)CC[NH3+])C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O",
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    "macro_pka_values": [
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        "pka_value": 7.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]