[
  {
    "molid": "mol21021",
    "smiles": "Cc1noc(C2CN(C)CCN2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1noc([C@H]2CN(C)CCN2)n1",
        "std_free_energy": -5.563162326812744,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1noc([C@H]2C[NH+](C)CCN2)n1",
        "std_free_energy": -7.471383094787598,
        "relative_population": 0.6264623430489794
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1noc([C@H]2CN(C)CC[NH2+]2)n1",
        "std_free_energy": -6.931827068328857,
        "relative_population": 0.36523195292286176
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]