[
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    "molid": "mol38223",
    "smiles": "Nc1cccc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)nc12",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "Nc1cccc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)nc12",
        "std_free_energy": -7.689352989196777,
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        "id": "1_1",
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        "smiles": "Nc1cccc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)[nH+]c12",
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        "id": "1_2",
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        "smiles": "Nc1cccc2nn([C@H]3C[C@H](O)[C@@H](C[OH2+])O3)nc12",
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        "id": "1_4",
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        "id": "1_5",
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        "smiles": "[NH3+]c1cccc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)nc12",
        "std_free_energy": 3.187290906906128,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]