[
  {
    "molid": "mol29742",
    "smiles": "Cc1cc(C)c2c(/N=N/c3ccc(O)cc3C)n[nH]c2n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1cc(C)c2c(/N=N/c3ccc(O)cc3C)n[nH]c2n1",
        "std_free_energy": -6.988101005554199,
        "relative_population": 0.9990225262209531
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)c2c(/N=N/c3ccc(O)cc3C)n[n-]c2n1",
        "std_free_energy": -0.3540254235267639,
        "relative_population": 0.20166466237573666
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C)c2c(/N=N/c3ccc([O-])cc3C)n[nH]c2n1",
        "std_free_energy": -1.7299479246139526,
        "relative_population": 0.7983353376242632
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]