[
  {
    "molid": "mol13883",
    "smiles": "CCOC(=O)c1cnc(N(C)C)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cnc(N(C)C)s1",
        "std_free_energy": -6.666777610778809,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)c1c[nH+]c(N(C)C)s1",
        "std_free_energy": 3.0435829162597656,
        "relative_population": 0.5298737485925579
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)c1cnc([NH+](C)C)s1",
        "std_free_energy": 3.1632204055786133,
        "relative_population": 0.4701262514074422
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.77,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.76999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]