[
  {
    "molid": "mol21022",
    "smiles": "Cc1noc(C2CN3CCN2CC3)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1noc([C@H]2CN3CCN2CC3)n1",
        "std_free_energy": -5.561402320861816,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1noc([C@H]2C[NH+]3CCN2CC3)n1",
        "std_free_energy": -7.756735324859619,
        "relative_population": 0.6998348304710981
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1noc([C@H]2CN3CC[NH+]2CC3)n1",
        "std_free_energy": -6.878532409667969,
        "relative_population": 0.2908016546219342
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]