[
  {
    "molid": "mol13824",
    "smiles": "Cn1c(=NN)ccc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=NN)ccc2ccccc21",
        "std_free_energy": -1.781471610069275,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c(=[NH+]N)ccc2ccccc21",
        "std_free_energy": -8.141475677490234,
        "relative_population": 0.7916620928635414
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c(=N[NH3+])ccc2ccccc21",
        "std_free_energy": -6.806502342224121,
        "relative_population": 0.20833790713645872
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]