[
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    "molid": "mol32626",
    "smiles": "Cc1ccc2c(c1)ncn2C1OC(CO)C(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O",
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        "id": "1_1",
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        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]([OH2+])[C@@H]1O",
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        "id": "1_2",
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        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H]([OH2+])[C@@H](O)[C@@H]1O",
        "std_free_energy": 0.6151418089866638,
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        "id": "1_3",
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        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1[OH2+]",
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        "id": "1_4",
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        "smiles": "Cc1ccc2c(c1)[nH+]cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O",
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      {
        "id": "1_5",
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        "smiles": "Cc1ccc2c(c1)ncn2[C@@H]1O[C@@H](C[OH2+])[C@@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 0.3330434560775757,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3200002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]