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        "molfile": "\n  Marvin  01132101482D          \n\n 21 22  0  0  1  0            999 V2000\n   13.1670   -9.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2532  -10.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4133   -9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8345   -8.9525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.8345   -8.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1670   -7.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4133   -7.9782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2532   -6.8221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   14.0070   -6.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5858   -6.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6721   -5.5167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6191   -7.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1039   -8.5401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   15.9289   -8.5401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3415   -7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9289   -7.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3415   -6.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1665   -6.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5789   -7.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1665   -7.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6191   -9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  4  1  1  1  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n  8  9  1  1  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n  5 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  1  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 15 20  2  0  0  0  0\n 13 21  1  0  0  0  0\n  4 21  1  0  0  0  0\nM  END",
        "smiles": "C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2",
        "formula": "C15H19NO3S2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 3,
        "ez_centers": 0,
        "molecular_weight": "325.449",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "59da21b2-170e-45b6-a899-44b1e0623766",
          "639efdaf-a011-499e-8f45-48b70bdc7326",
          "f9f0e5f1-0949-4894-b0dc-59c3decd30a4"
        ],
        "stereo_centers": 3
      },
      "unii": "4G4WDK2YBS"
    }
  ]
}