[
  {
    "molid": "mol21025",
    "smiles": "Cc1noc(C2CNCCN2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1noc([C@H]2CNCCN2)n1",
        "std_free_energy": -4.0180439949035645,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1noc([C@H]2CNCC[NH2+]2)n1",
        "std_free_energy": -6.734294891357422,
        "relative_population": 0.1808728366577528
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1noc([C@H]2C[NH2+]CCN2)n1",
        "std_free_energy": -8.22994327545166,
        "relative_population": 0.8070959905122661
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]