[
  {
    "molid": "mol3774",
    "smiles": "c1ccc(N=Nc2ccccn2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(N=Nc2ccccn2)cc1",
        "std_free_energy": -8.299153327941895,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(N=Nc2cccc[nH+]2)cc1",
        "std_free_energy": 2.782240629196167,
        "relative_population": 0.16603412727018227
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(N=[NH+]c2ccccn2)cc1",
        "std_free_energy": 1.1682415008544922,
        "relative_population": 0.8339658727298177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]