[
  {
    "molid": "mol9379",
    "smiles": "NC(=O)Nc1[nH]cnc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)Nc1[nH]c[nH+]c1C(=O)[O-]",
        "std_free_energy": -4.057640075683594,
        "relative_population": 0.24825794658565384
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)Nc1[nH]cnc1C(=O)O",
        "std_free_energy": -5.165565013885498,
        "relative_population": 0.7517420534143462
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=O)Nc1[nH]c[nH+]c1C(=O)O",
        "std_free_energy": 4.659450054168701,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)Nc1[nH]cnc1C(=O)[O-]",
        "std_free_energy": -9.434402465820312,
        "relative_population": 0.9997026860736752
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "NC(=O)Nc1[n-]cnc1C(=O)[O-]",
        "std_free_energy": 4.664417266845703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.9000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 12.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]