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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400690 135048770 1 B3N4C9H23 A3B4C9D23 38.72 2.5 -5.8 0.43 0
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400691 135048773 1 BClLiO3C17H23 ABCD3E17F23 -131.83 12.99 -8.28 -0.45 0
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400692 135048775 1 BN2S2O4C31H31 AB2C2D4E31F31 -103.82 11.97 -9.13 -0.48 0
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400694 135048777 1 BSO3C33H63 ABC3D33E63 -276.27 2.18 -8.06 0.54 0
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400695 135048785 1 BO4C16H27 AB4C16D27 -249.11 2.95 -9.69 1.34 0
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400696 135048786 1 BSiO2C18H35 ABC2D18E35 -197.28 3.16 -8.81 1.02 0
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400697 135048807 1 BPC21H22 ABC21D22 33.67 4.9 -9.12 -0.16 0
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400698 135048808 1 BClPC21H21 ABCD21E21 63.61 6.21 -7.25 -0.17 0
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400699 135048809 1 MgCl2C8H8 AB2C8D8 -31.39 3.29 -8.32 -0.54 0
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400700 135048810 1 BSiO5C17H33 ABC5D17E33 -360.53 4.38 -8.69 0.45 0
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400701 135048811 1 MgOCl2C8H8 ABC2D8E8 -77.36 4.09 -8.37 -0.41 0
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400702 135048812 1 SiC19H20 AB19C20 50.67 2.2 -8.98 0.14 0
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400703 135048813 1 BLiC25H44 ABC25D44 9.39 18.53 -7.3 -1.14 0
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400704 135048819 1 BPH18C19 ABC18D19 126.0 4.1 -6.63 -0.08 0
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400705 135048820 1 BClO3C35H42 ABC3D35E42 -169.92 4.55 -9.19 0.09 -1
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400706 135048822 1 NOB2C25H26 ABC2D25E26 24.06 5.07 0.0 0.0 0
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400707 135048826 1 BSSiO2C31H61 ABCD2E31F61 -264.95 0.99 -8.56 0.26 0
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400708 135048827 1 BN2O7H23C28 AB2C7D23E28 -283.6 9.42 -8.68 -2.9 0
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400709 135048829 1 BCNaOH6 ABCDE6 -55.63 11.99 -7.56 -0.32 0
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400710 135048830 1 BIOC18H34 ABCD18E34 -79.77 4.1 -8.5 -2.11 0
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400711 135048835 1 BClC19H34 ABC19D34 -77.17 1.98 -9.16 0.38 0
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400713 135048840 1 BClOC14H25 ABCD14E25 -89.43 1.81 0.0 0.0 0
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400714 135048844 1 BIO2C8H16 ABC2D8E16 -178.8 3.3 -9.41 -0.61 0
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400715 135048852 2 BNSiC13H24 ABCD13E24 -98.41 0.78 -7.78 -0.3 0
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400716 135048866 1 SiC12H22 AB12C22 -34.53 0.47 -9.4 1.14 0
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400717 135048868 1 BNC19H20 ABC19D20 18.95 5.15 -8.52 0.56 0
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400718 135048878 1 BKO6C12H20 ABC6D12E20 -418.41 10.17 -8.88 0.04 -1
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400719 135048882 1 BOSiC17H28 ABCD17E28 -83.72 5.68 0.0 0.0 0
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400720 135048886 1 BBrLiOC23H43 ABCDE23F43 -153.52 5.16 -8.69 0.6 0
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400721 135048888 1 BBrLiOC23H41 ABCDE23F41 -126.59 6.99 -8.5 0.49 -1
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400722 135048889 1 BBrOC23H41 ABCD23E41 -96.11 2.3 0.0 0.0 -1
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400723 135048892 1 BNOC15H15 ABCD15E15 -20.71 6.95 0.0 0.0 0
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400724 135048893 1 BOC18H29 ABC18D29 -87.64 1.48 -9.19 1.0 0
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400725 135048894 1 BLiO2C15H22 ABC2D15E22 -142.85 7.39 -8.38 0.67 -1
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400726 135048895 1 BO2C15H22 AB2C15D22 -75.77 1.81 0.0 0.0 0
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400727 135048896 1 BLiO2C18H36 ABC2D18E36 -231.21 5.45 -8.94 2.2 -1
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400728 135048899 1 BPC7H14 ABC7D14 57.06 1.53 -7.7 -0.2 0
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400729 135048901 1 BClPO5C15H29 ABCD5E15F29 -372.4 4.39 -10.06 0.28 -1
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400730 135048903 1 BN2H6C7 AB2C6D7 72.74 5.02 0.0 0.0 0
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400731 135048904 2 BNF2C4H6 ABC2D4E6 -345.53 7.42 -10.87 -1.17 1
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400732 135048905 1 BN2C8H12 AB2C8D12 32.66 8.4 0.0 0.0 0
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400733 135048906 1 BBrPC21H21 ABCD21E21 72.03 7.36 -7.17 -0.3 0
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400734 135048908 1 BLiSO2C17H24 ABCD2E17F24 -121.76 8.43 -8.51 -0.82 0
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400735 135048912 1 BNOC26H34 ABCD26E34 -23.76 1.76 -8.52 0.22 0
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400736 135048913 1 BOSiC17H29 ABCD17E29 -119.89 3.17 -8.62 0.6 0
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400738 135048934 1 BO2C19H37 AB2C19D37 -206.42 2.14 -9.3 1.62 0
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400739 135048935 1 BPH22C25 ABC22D25 147.89 5.8 -6.88 -0.22 0
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400740 135048936 1 BO2C18H23 AB2C18D23 -118.97 2.97 -9.04 0.01 0
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400741 135048937 1 MgOCl2C8H8 ABC2D8E8 -58.97 3.86 -8.59 -0.81 0
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400742 135048939 1 BBr2O2C18H31 AB2C2D18E31 -198.41 2.39 -9.8 -0.12 0