[
  {
    "molid": "mol19929",
    "smiles": "Oc1noc2c1CCNCC2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1noc2c1CC[NH2+]CC2",
        "std_free_energy": -8.77591323852539,
        "relative_population": 0.9965101624968415
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1noc2c1CC[NH2+]CC2",
        "std_free_energy": -4.594997882843018,
        "relative_population": 0.989074003329187
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1noc2c1CCNCC2",
        "std_free_energy": -2.5468032360076904,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 4.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]