[
  {
    "molid": "mol15766",
    "smiles": "Oc1ccccc1CNC1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccccc1CNC1CCCCC1",
        "std_free_energy": -2.6384575366973877,
        "relative_population": 0.11570923559162791
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccccc1C[NH2+]C1CCCCC1",
        "std_free_energy": -4.672163009643555,
        "relative_population": 0.8842907644083721
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccccc1C[NH2+]C1CCCCC1",
        "std_free_energy": -9.294734954833984,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6700001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]