[
  {
    "molid": "mol13651",
    "smiles": "Cc1nc(C(=O)O)cs1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(C(=O)O)cs1",
        "std_free_energy": -3.5073370933532715,
        "relative_population": 0.8124934463005956
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1[nH+]c(C(=O)[O-])cs1",
        "std_free_energy": -2.0410430431365967,
        "relative_population": 0.18750655369940447
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C(=O)[O-])cs1",
        "std_free_energy": -10.292963981628418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.9000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]