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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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287075 104231754 1 BrO3C15H15 AB3C15D15 -73.94 5.58 -9.25 -0.53 0
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287076 104231755 1 O3C17H20 A3B17C20 -96.98 3.95 -8.95 -0.08 0
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287077 104231756 1 O3C17H20 A3B17C20 -96.7 4.76 -8.97 -0.09 0
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287078 104231757 1 O3C17H20 A3B17C20 -96.82 4.75 -9.01 -0.12 0
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287079 104231758 1 ClO3C16H17 AB3C16D17 -99.46 1.8 -9.14 -0.46 0
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287080 104231759 1 ClO3C16H17 AB3C16D17 -101.29 4.49 -9.12 -0.44 0
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287081 104231760 1 ClO3C16H17 AB3C16D17 -99.47 1.81 -9.14 -0.46 0
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287082 104231761 1 Cl2O3H14C15 A2B3C14D15 -92.88 2.89 -9.34 -0.82 0
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287083 104231762 1 Cl2O3H14C15 A2B3C14D15 -92.17 2.62 -9.43 -0.68 0
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287084 104231763 1 Cl2O3H14C15 A2B3C14D15 -92.01 3.47 -9.18 -0.65 0
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287085 104231764 1 O5C16H16 A5B16C16 -146.02 3.51 -8.79 -0.38 0
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287086 104231765 1 O5C16H16 A5B16C16 -146.0 3.49 -8.77 -0.37 0
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287087 104231766 1 O5C16H16 A5B16C16 -145.99 3.75 -8.74 -0.34 0
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287088 104231767 1 NO4C16H17 AB4C16D17 -123.32 5.3 -9.21 -0.61 0
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287089 104231768 1 NO4C16H17 AB4C16D17 -121.95 4.17 -9.61 -0.81 0
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287090 104231769 1 NO4C16H17 AB4C16D17 -126.84 7.37 -9.35 -0.63 0
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287091 104231770 1 NO3H15C16 AB3C15D16 -49.91 4.57 -9.31 -0.94 0
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287092 104231771 1 NO3H15C16 AB3C15D16 -49.85 6.36 -9.33 -0.93 0
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287093 104231772 1 NO3H15C16 AB3C15D16 -44.56 2.6 -9.48 -0.97 0
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287094 104231773 1 Cl3O3H13C15 A3B3C13D15 -100.72 0.6 -9.28 -1.05 0
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287095 104231774 1 Cl3O3H13C15 A3B3C13D15 -103.83 4.48 -9.27 -0.94 0
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287096 104231775 1 Cl3O3H13C15 A3B3C13D15 -99.29 5.78 -9.15 -0.71 0
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287097 104231776 1 O3C16H18 A3B16C18 -85.11 3.84 -8.78 -0.25 0
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287098 104231777 1 O3C16H18 A3B16C18 -91.78 4.38 -8.99 -0.07 0
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287099 104231778 1 O3C16H18 A3B16C18 -90.33 4.2 -8.79 -0.2 0