[
  {
    "molid": "mol36547",
    "smiles": "CNCc1cc(O)ns1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH2+]Cc1cc([O-])ns1",
        "std_free_energy": -6.241497039794922,
        "relative_population": 0.9437852251066738
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNCc1cc(O)ns1",
        "std_free_energy": -3.4207780361175537,
        "relative_population": 0.05621477489332621
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]Cc1cc(O)ns1",
        "std_free_energy": -5.822074890136719,
        "relative_population": 0.9972171897421886
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]