[
  {
    "molid": "mol19931",
    "smiles": "Oc1onc2c1CNCCC2",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1onc2c1C[NH2+]CCC2",
        "std_free_energy": -11.85794448852539,
        "relative_population": 0.9998581359364771
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[O-]c1o[nH+]c2c1C[NH2+]CCC2",
        "std_free_energy": -1.3722842931747437,
        "relative_population": 0.12087025042684593
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1onc2c1C[NH2+]CCC2",
        "std_free_energy": -3.3325352668762207,
        "relative_population": 0.8583128271454646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 2.64000010490417,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]