[
  {
    "molid": "mol21802",
    "smiles": "CN(C)c1ccc(N=Nc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(N=Nc2ccccc2)cc1",
        "std_free_energy": -8.183164596557617,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(N=Nc2ccccc2)cc1",
        "std_free_energy": 0.9880638122558594,
        "relative_population": 0.6436810902681284
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(N=[NH+]c2ccccc2)cc1",
        "std_free_energy": 1.5794410705566406,
        "relative_population": 0.3563189097318717
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 2.8499999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.226,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]