[
  {
    "molid": "mol4298",
    "smiles": "Nc1nnnn1-c1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nnnn1-c1cccc(Cl)c1",
        "std_free_energy": -6.869487762451172,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1nnnn1-c1cccc(Cl)c1",
        "std_free_energy": 6.835153579711914,
        "relative_population": 0.8336889134359043
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1[nH+]nnn1-c1cccc(Cl)c1",
        "std_free_energy": 8.946023941040039,
        "relative_population": 0.10098681522309176
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 0.69999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 0.699999988079071,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]