[
  {
    "molid": "mol15839",
    "smiles": "Sc1nnco1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Sc1nnco1",
        "std_free_energy": -1.6968852281570435,
        "relative_population": 0.9990795303925759
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[S-]c1nnco1",
        "std_free_energy": -8.117385864257812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.8499999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]