[
  {
    "molid": "mol20443",
    "smiles": "CN1CCC=C(c2nc(N(C)C)no2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCC=C(c2nc(N(C)C)no2)C1",
        "std_free_energy": -5.50361442565918,
        "relative_population": 1.0
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(C)c1noc(C2=CCC[NH+](C)C2)n1",
        "std_free_energy": -7.181418418884277,
        "relative_population": 0.9274780723987321
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]