[
  {
    "molid": "mol18336",
    "smiles": "N=C(N)Nc1ccc(Nc2ccc(NC(=N)N)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)Nc1ccc(Nc2ccc(NC(=N)N)cc2)cc1",
        "std_free_energy": -1.0325343608856201,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N=C(N)Nc1ccc(Nc2ccc(NC(N)=[NH2+])cc2)cc1",
        "std_free_energy": -10.559027671813965,
        "relative_population": 0.933588326311763
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N=C(N)Nc1ccc([NH2+]c2ccc(NC(=N)N)cc2)cc1",
        "std_free_energy": -7.915864944458008,
        "relative_population": 0.06641167368823696
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]