[
  {
    "molid": "mol33177",
    "smiles": "CN(C)c1ccc(N=Nc2cccc(C(=O)O)c2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc([NH+]=Nc2cccc(C(=O)O)c2)cc1",
        "std_free_energy": 5.210090160369873,
        "relative_population": 0.12610944984035163
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        "id": "1_6",
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        "smiles": "C[NH+](C)c1ccc(N=Nc2cccc(C(=O)O)c2)cc1",
        "std_free_energy": 3.5713796615600586,
        "relative_population": 0.6492778064714662
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        "id": "1_7",
        "charge": 1,
        "smiles": "CN(C)c1ccc(N=[NH+]c2cccc(C(=O)O)c2)cc1",
        "std_free_energy": 4.756751537322998,
        "relative_population": 0.19844039986383777
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        "id": "2_4",
        "charge": 2,
        "smiles": "CN(C)c1ccc([NH+]=[NH+]c2cccc(C(=O)O)c2)cc1",
        "std_free_energy": 9.417150497436523,
        "relative_population": 0.7949143123673125
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      {
        "id": "2_5",
        "charge": 2,
        "smiles": "C[NH+](C)c1ccc([NH+]=[NH+]c2cccc(C(=O)[O-])c2)cc1",
        "std_free_energy": 10.950422286987305,
        "relative_population": 0.17156505705602226
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.64,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]