[
  {
    "molid": "mol37513",
    "smiles": "O=C(Nc1nnn[nH]1)c1cc(Cl)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Nc1nnn[nH]1)c1cc(Cl)ccc1[O-]",
        "std_free_energy": -2.3736510276794434,
        "relative_population": 0.21334165773443314
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        "id": "-1_2",
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        "smiles": "O=C(Nc1nnn[n-]1)c1cc(Cl)ccc1O",
        "std_free_energy": -2.764124631881714,
        "relative_population": 0.31525079976243414
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        "id": "-1_3",
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        "smiles": "O=C([N-]c1nnn[nH]1)c1cc(Cl)ccc1O",
        "std_free_energy": -3.1664791107177734,
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        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([N-]c1nnn[n-]1)c1cc(Cl)ccc1O",
        "std_free_energy": -0.7255652546882629,
        "relative_population": 0.1791962401297916
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        "id": "-2_3",
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        "smiles": "O=C(Nc1nnn[n-]1)c1cc(Cl)ccc1[O-]",
        "std_free_energy": -2.2461111545562744,
        "relative_population": 0.8197729558178792
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.42999982833862,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]