[
  {
    "molid": "mol18575",
    "smiles": "Oc1ccccc1/C=N/NC(=S)NC1CCCCC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1/C=N/NC(=S)NC1CCCCC1",
        "std_free_energy": -1.083450198173523,
        "relative_population": 0.8203392305549098
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1ccccc1/C=N/[N-]C(=S)NC1CCCCC1",
        "std_free_energy": 0.43519729375839233,
        "relative_population": 0.17966076944509032
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccccc1/C=N/[N-]C(=S)NC1CCCCC1",
        "std_free_energy": 10.242555618286133,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]