[
  {
    "molid": "mol29923",
    "smiles": "CCOC(=O)c1sc(NC(=S)NC(=O)c2ccccc2)nc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1sc(NC(=S)NC(=O)c2ccccc2)nc1C",
        "std_free_energy": -6.232265472412109,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1sc([N-]C(=S)NC(=O)c2ccccc2)nc1C",
        "std_free_energy": -4.154623508453369,
        "relative_population": 0.802100656962776
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)c1sc(NC(=S)[N-]C(=O)c2ccccc2)nc1C",
        "std_free_energy": -2.755147933959961,
        "relative_population": 0.1978993430372239
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]