[
  {
    "molid": "mol26237",
    "smiles": "Cc1nc(O)nc2c1N=CC(O)N2",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc(O)nc2c1N=C[C@@H](O)[N-]2",
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        "smiles": "Cc1nc([O-])nc2c1N=C[C@@H](O)N2",
        "std_free_energy": 0.1453772485256195,
        "relative_population": 0.7013756387156871
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        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc([O-])nc2c1N=C[C-](O)N2",
        "std_free_energy": 10.768234252929688,
        "relative_population": 0.05431288620670209
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        "id": "-2_2",
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        "smiles": "Cc1nc(O)nc2c1N=C[C-]([O-])N2",
        "std_free_energy": 8.847455024719238,
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        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1nc(O)nc2c1N=C[C-](O)[N-]2",
        "std_free_energy": 8.987035751342773,
        "relative_population": 0.3224538468373267
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      {
        "id": "-2_4",
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        "smiles": "Cc1nc(O)nc2c1N=C[C@@H]([O-])[N-]2",
        "std_free_energy": 9.73759651184082,
        "relative_population": 0.15223102296519608
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      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "Cc1nc([O-])nc2c1N=C[C@@H](O)[N-]2",
        "std_free_energy": 10.848773956298828,
        "relative_population": 0.05011006120864622
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      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "Cc1nc([O-])nc2c1N=C[C@@H]([O-])N2",
        "std_free_energy": 10.848227500915527,
        "relative_population": 0.050137451604484254
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.85,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]