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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127728 51012850 1 SSiN2F3O7C22H37 ABC2D3E7F22G37 -502.82 4.11 -8.82 -1.11 1
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127729 51012851 1 SiN2O4C21H37 AB2C4D21E37 -218.45 2.05 0.0 0.0 0
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127730 51013024 1 NSeO3C21H27 ABC3D21E27 -88.34 3.65 -8.66 -0.43 0
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127731 51013131 2 O2H11C12 A2B11C12 -90.87 7.06 -9.82 -0.25 0
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127732 51013154 1 O6C15H22 A6B15C22 -247.9 6.65 -10.17 0.08 0
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127733 51013159 1 OC11H14 AB11C14 16.55 2.66 -9.1 0.31 0
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127734 51013199 1 BrNOC21H24 ABCD21E24 -1.77 1.96 -8.7 -0.34 0
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127735 51013200 1 N5O6C44H65 A5B6C44D65 -289.41 2.3 -8.44 -0.1 0
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127736 51013201 1 PSO5C45H45 ABC5D45E45 -123.92 7.77 -9.19 -0.4 0
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127737 51013232 1 N2C13H18 A2B13C18 50.23 0.44 -9.15 0.08 0
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127738 51013233 1 NSO2C16H23 ABC2D16E23 -72.53 4.51 -9.7 -0.04 0
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127739 51013234 1 NO12C38H67 AB12C38D67 -620.34 7.48 -9.57 0.42 0
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127740 51013235 1 SO37C51H80 AB37C51D80 -1641.09 7.96 -10.0 -0.71 0
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127741 51013299 1 NSO5C21H27 ABC5D21E27 -184.37 5.74 -9.78 -0.97 0
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127742 51013357 1 N3O9C30H43 A3B9C30D43 -286.02 8.32 -9.01 -0.86 2
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127743 51013358 1 N2C23H38 A2B23C38 80.52 9.95 -3.8 0.77 0
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127744 51013439 1 OC15H22 AB15C22 -40.54 2.83 -9.18 0.97 0
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127745 51013537 1 NS2C12O15H17 AB2C12D15E17 -591.97 2.54 -10.52 -1.42 0
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127746 51013609 2 NOC8H10 ABC8D10 -75.11 5.43 -9.17 -0.44 0
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127747 51013610 2 NOC8H10 ABC8D10 -75.63 5.22 -9.18 -0.47 0
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127748 51013611 1 O4C13H16 A4B13C16 -128.83 5.4 -9.64 -0.12 0
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127749 51013725 1 NSO3C16H21 ABC3D16E21 -124.62 0.89 -8.44 0.11 0
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127750 51013726 1 N2O5C14H22 A2B5C14D22 -234.3 2.54 -9.26 0.28 0
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127751 51013727 2 OH4C5 AB4C5 -13.22 3.47 -10.16 -0.55 0
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127752 51013730 1 ClO2C16H23 AB2C16D23 -119.38 2.55 -9.45 -0.31 0