[
  {
    "molid": "mol8852",
    "smiles": "CCN(N)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(N)c1ccccc1",
        "std_free_energy": -4.774165153503418,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](N)c1ccccc1",
        "std_free_energy": -2.7166354656219482,
        "relative_population": 0.30910359313417485
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN([NH3+])c1ccccc1",
        "std_free_energy": -3.520948886871338,
        "relative_population": 0.6908964068658252
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.15999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]