[
  {
    "molid": "mol15459",
    "smiles": "C(=C/C=N/c1ccccc1)\\C=C\\Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(=C/C=N/c1ccccc1)\\C=C\\Nc1ccccc1",
        "std_free_energy": -3.6133065223693848,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C(=C/C=N/c1ccccc1)\\C=C\\[NH2+]c1ccccc1",
        "std_free_energy": -7.290527820587158,
        "relative_population": 0.2585395520040433
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C(=C/C=[NH+]/c1ccccc1)\\C=C\\Nc1ccccc1",
        "std_free_energy": -8.344100952148438,
        "relative_population": 0.7414604479959567
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.52,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]