[
  {
    "molid": "mol33183",
    "smiles": "Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1",
        "std_free_energy": -7.863585472106934,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(N=Nc2ccc([NH+](C)C)cc2)cc1",
        "std_free_energy": 1.2092640399932861,
        "relative_population": 0.8597493857187309
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N=[NH+]c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": 3.0224740505218506,
        "relative_population": 0.14025061428126903
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.31,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]