[
  {
    "molid": "mol24743",
    "smiles": "NNc1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1ccccc1Cl",
        "std_free_energy": -6.189378261566162,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH2+]c1ccccc1Cl",
        "std_free_energy": 0.36304688453674316,
        "relative_population": 0.31918270441041063
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]Nc1ccccc1Cl",
        "std_free_energy": -0.39448341727256775,
        "relative_population": 0.6808172955895894
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.65000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]