[
  {
    "molid": "mol14818",
    "smiles": "Oc1onc2c1CCN(Cc1ccccc1)CC2",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1onc2c1CC[NH+](Cc1ccccc1)CC2",
        "std_free_energy": -10.643570899963379,
        "relative_population": 0.9986383950468456
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1onc2c1CC[NH+](Cc1ccccc1)CC2",
        "std_free_energy": -3.1089015007019043,
        "relative_population": 0.9370561853530746
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1onc2c1CCN(Cc1ccccc1)CC2",
        "std_free_energy": -6.916384696960449,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]