[
  {
    "molid": "mol37358",
    "smiles": "O/N=C1/C=C/C(=N\\O)c2cccnc21",
    "microspecies": [
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "O/N=C1/C=C/C(=N\\O)c2cccnc21",
        "std_free_energy": -8.191871643066406,
        "relative_population": 0.9995556354961752
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      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O/N=C1/C=C/C(=[NH+]\\O)c2cccnc21",
        "std_free_energy": 0.1565413475036621,
        "relative_population": 0.14370883722725106
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        "id": "1_3",
        "charge": 1,
        "smiles": "O/N=C1/C=C/C(=N\\O)c2ccc[nH+]c21",
        "std_free_energy": -1.4283207654953003,
        "relative_population": 0.7011006111730573
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "O/N=C1\\C=C/C(=[NH+]/O)c2ncccc21",
        "std_free_energy": 0.07971399277448654,
        "relative_population": 0.15518479672074642
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]