[
  {
    "molid": "mol15335",
    "smiles": "CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCCN(C)Cc2ccccc2OCCOc2ccccc2C1",
        "std_free_energy": 0.5311206579208374,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1CCC[NH+](C)Cc2ccccc2OCCOc2ccccc2C1",
        "std_free_energy": -8.087587356567383,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+]1CCC[NH+](C)Cc2ccccc2OCCOc2ccccc2C1",
        "std_free_energy": -11.521845817565918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.92,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]