[
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    "molid": "mol8131",
    "smiles": "COc1cnc2nc(N)nc(N)c2n1",
    "microspecies": [
      {
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        "charge": 0,
        "smiles": "COc1cnc2nc(N)nc(N)c2n1",
        "std_free_energy": -6.950231552124023,
        "relative_population": 1.0
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        "smiles": "COc1cnc2[nH+]c(N)nc(N)c2n1",
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        "smiles": "COc1cnc2nc(N)nc(N)c2[nH+]1",
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        "charge": 1,
        "smiles": "COc1cnc2nc([NH3+])nc(N)c2n1",
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        "smiles": "COc1cnc2nc(N)[nH+]c(N)c2n1",
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        "id": "1_5",
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        "smiles": "COc1cnc2nc(N)nc([NH3+])c2n1",
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      {
        "id": "1_6",
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        "smiles": "COc1c[nH+]c2nc(N)nc(N)c2n1",
        "std_free_energy": -1.363284945487976,
        "relative_population": 0.09792569569324061
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]