[
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    "molid": "mol34091",
    "smiles": "Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1",
        "std_free_energy": -7.3975934982299805,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH+]1",
        "std_free_energy": 0.18762332201004028,
        "relative_population": 0.557325319962234
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+]c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1",
        "std_free_energy": 0.7450562715530396,
        "relative_population": 0.319167542743757
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      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Nc1ccn([C@H]2C[C@H](O)[C@@H](C[OH2+])O2)c(=O)n1",
        "std_free_energy": 2.2078914642333984,
        "relative_population": 0.07391242782038963
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]