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        "molfile": "\n  Marvin  01132108452D          \n\n 43 46  0  0  0  0            999 V2000\n    4.6583   -2.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3722   -2.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0885   -2.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8022   -2.5689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5193   -2.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0830   -2.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5139   -2.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2313   -2.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9402   -2.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5139   -1.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7931   -0.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0885   -3.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3742   -4.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6583   -3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9426   -4.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2276   -3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3742   -5.0566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0889   -5.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0889   -6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8063   -6.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8063   -7.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0883   -7.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3724   -7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3724   -6.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6622   -6.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9474   -6.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9474   -7.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6627   -7.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5232   -7.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5232   -8.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2325   -7.5198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9493   -7.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9493   -8.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6654   -9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3804   -8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3804   -7.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6579   -7.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6579   -6.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3615   -6.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0979   -9.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0979   -9.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6654   -9.9842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.5162   -6.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 12  3  1  0  0  0  0\n 13 12  2  0  0  0  0\n 14 13  1  0  0  0  0\n  1 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 13 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 28 23  1  0  0  0  0\n 19 24  2  0  0  0  0\n 21 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 29 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  2  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  2  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  2  0  0  0  0\n 37 32  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 35 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 34 42  1  0  0  0  0\n 20 43  1  0  0  0  0\nM  END",
        "smiles": "CCN(CC)S(=O)(=O)c1ccc(c(c1)/N=N/c2c3ccccc3cc(c2O)C(=O)Nc4cc(c(cc4OC)OC)Cl)OC",
        "formula": "C30H31ClN4O7S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "627.1099",
        "optical_activity": "NONE",
        "references": [
          "80497b5f-2d99-44dd-81a2-97b6b0595ef3",
          "53b2aa3e-a15a-434e-b182-2b041a09f531"
        ],
        "stereo_centers": 0
      },
      "unii": "91OZU993LX"
    }
  ]
}