[
  {
    "molid": "mol11453",
    "smiles": "Cc1ccc(O)c(N=Nc2nccs2)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc(O)c(N=Nc2nccs2)c1",
        "std_free_energy": -6.244099140167236,
        "relative_population": 0.9999966296660616
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([O-])c(N=Nc2nccs2)c1",
        "std_free_energy": -2.8495755195617676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]