[
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    "molid": "mol32823",
    "smiles": "CCCCCCN=Cc1c(C)cnc(C)c1O",
    "microspecies": [
      {
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        "charge": 0,
        "smiles": "CCCCCCN=Cc1c(C)cnc(C)c1O",
        "std_free_energy": -4.690517902374268,
        "relative_population": 0.7765031377547398
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        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCN=Cc1c(C)c[nH+]c(C)c1[O-]",
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        "relative_population": 0.05266380940547894
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      {
        "id": "0_3",
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        "smiles": "CCCCCC[NH+]=Cc1c(C)cnc(C)c1[O-]",
        "std_free_energy": -3.1764039993286133,
        "relative_population": 0.17083305283978123
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        "id": "1_1",
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        "smiles": "CCCCCC[NH+]=Cc1c(C)cnc(C)c1O",
        "std_free_energy": -4.139888286590576,
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      {
        "id": "1_2",
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        "smiles": "CCCCCCN=Cc1c(C)c[nH+]c(C)c1O",
        "std_free_energy": -3.853973150253296,
        "relative_population": 0.41854432217278514
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2199998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]