[
  {
    "molid": "mol13827",
    "smiles": "C[n+]1c(NN)ccc2ccccc21",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c(NN)ccc2ccccc21",
        "std_free_energy": -6.92529296875,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1c(N[NH3+])ccc2ccccc21",
        "std_free_energy": 2.4938626289367676,
        "relative_population": 0.6577475626836882
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[n+]1c([NH2+]N)ccc2ccccc21",
        "std_free_energy": 3.1471352577209473,
        "relative_population": 0.34225243731631183
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.66,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]