[
  {
    "molid": "mol19928",
    "smiles": "Oc1onc2c1CNCC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1onc2c1C[NH2+]CC2",
        "std_free_energy": -11.577837944030762,
        "relative_population": 0.9997980057228643
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[O-]c1o[nH+]c2c1C[NH2+]CC2",
        "std_free_energy": -0.009950175881385803,
        "relative_population": 0.07353544724728202
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1onc2c1C[NH2+]CC2",
        "std_free_energy": -2.5073797702789307,
        "relative_population": 0.8935454134994292
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 3.00999999046326,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]