[
  {
    "molid": "mol35861",
    "smiles": "CCOC(=O)CNC1=NC(C)(C)N([O])C1(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=[OH+])CNC1=NC(C)(C)N([O])C1(C)C",
        "std_free_energy": 0.5023009777069092,
        "relative_population": 0.08419528717629972
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)CNC1=NC(C)(C)[NH+]([O])C1(C)C",
        "std_free_energy": -1.0601938962936401,
        "relative_population": 0.4016711913256812
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCOC(=O)CNC1=[NH+]C(C)(C)N([O])C1(C)C",
        "std_free_energy": -1.3070430755615234,
        "relative_population": 0.5141335214980192
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CCOC(=O)CNC1=[NH+]C(C)(C)[NH+]([O])C1(C)C",
        "std_free_energy": 6.649291515350342,
        "relative_population": 0.996020562742508
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.76000022888184,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]