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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
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400743 135048940 1 BBr2H4C8F13 AB2C4D8E13 -696.98 2.4 -10.85 -2.0 0
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400744 135048942 1 SiC24H26 AB24C26 32.5 1.14 -8.76 0.11 -1
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400745 135048949 1 BC17H26 AB17C26 15.5 0.69 0.0 0.0 1
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400746 135048951 1 BN2C17H25 AB2C17D25 23.3 7.52 -6.59 0.76 0
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400747 135048952 1 BON2C18H28 ABC2D18E28 -36.63 6.42 0.0 0.0 0
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400749 135048954 1 BC14H26 AB14C26 -16.47 0.5 0.0 0.0 0
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400750 135048974 1 BPC12H28 ABC12D28 11.41 5.52 -6.42 0.82 0
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400751 135048979 1 BSO3C35H59 ABC3D35E59 -218.85 2.7 -8.11 0.03 0
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400752 135048982 1 BSSi2C19H45 ABC2D19E45 -148.7 1.84 -8.74 0.66 -1
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400753 135048994 1 BBrOC24H45 ABCD24E45 -109.64 2.07 0.0 0.0 0
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400754 135048995 1 BSnC17H31 ABC17D31 -28.59 1.49 -8.7 0.96 0
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400755 135048996 1 BNC12H24 ABC12D24 -2.27 1.01 -8.58 0.21 0
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400756 135049007 1 BC9H17 AB9C17 -5.77 0.79 -9.85 0.42 0
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400757 135049008 1 BClPC12H27 ABCD12E27 -50.07 5.98 -7.3 0.74 0
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400758 135049009 1 BBrPC12H27 ABCD12E27 -38.94 6.96 -7.3 0.33 1
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400759 135049018 1 NO4C14H24 AB4C14D24 -206.44 6.16 0.0 0.0 0
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400760 135049019 1 NSO4C6H13 ABC4D6E13 -164.98 8.33 -9.56 -0.46 0
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400761 135049020 1 BNF3C7H7 ABC3D7E7 -243.26 8.88 -10.52 -1.61 0
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400762 135049022 1 BN2O2C21H33 AB2C2D21E33 -88.68 4.37 -8.51 -0.25 0
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400763 135049023 1 PbO2F5H15C25 AB2C5D15E25 -180.36 6.32 -9.61 -1.23 0
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400764 135049024 1 NaPbC18H33 ABC18D33 -24.22 18.03 -5.99 -0.34 0
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400765 135049025 1 PbCl3O9C15H17 AB3C9D15E17 -336.59 5.66 -9.6 -2.49 0
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400766 135049026 1 BC22H32 AB22C32 32.14 1.08 0.0 0.0 0
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400767 135049027 1 BCl3C12H12 AB3C12D12 -58.69 3.27 -9.52 -0.46 0
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400768 135049028 1 BO2C25H41 AB2C25D41 -111.76 3.21 -9.83 -0.16 0
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400769 135049029 1 BNO3C26H34 ABC3D26E34 -139.73 3.98 -8.68 -0.25 0
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400770 135049030 1 BNO3C27H36 ABC3D27E36 -139.86 5.59 -9.04 -0.12 0
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400771 135049031 1 BNO3C23H34 ABC3D23E34 -147.42 4.32 -8.94 0.14 0
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400772 135049033 1 BSSiO2C34H67 ABCD2E34F67 -287.8 0.6 -8.46 0.23 0
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400773 135049034 1 SnO2C22H22 AB2C22D22 -25.59 2.83 -9.23 0.01 0
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400774 135049036 1 SnBr2Si6C46H90 AB2C6D46E90 -307.1 4.02 -7.66 -1.12 0
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400775 135049038 1 FNSiC27H50 ABCD27E50 -80.04 19.39 -7.59 -0.54 -1
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400776 135049039 1 FSiC11H14 ABC11D14 -26.0 2.23 0.0 0.0 0
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400777 135049040 1 OSSiN2C17H32 ABCD2E17F32 -90.15 3.39 -8.51 -0.03 0
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400778 135049041 1 OSiSnC25H54 ABCD25E54 -170.96 2.45 -8.65 0.75 0
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400779 135049042 1 SiF2C6H12 AB2C6D12 -132.76 3.56 -9.47 0.53 0
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400780 135049043 1 PbCl6O7H10C13 AB6C7D10E13 -259.09 7.92 -10.07 -3.21 0
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400781 135049045 1 BO2C20H33 AB2C20D33 -133.74 2.52 -9.42 0.27 0
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400782 135049046 1 BO2C24H37 AB2C24D37 -135.57 2.45 -9.23 0.34 0
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400783 135049065 1 PbBr2Si4C14H38 AB2C4D14E38 -169.83 5.72 -8.81 -1.64 0
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400784 135049068 1 LiPbCl2H16C19 ABC2D16E19 109.04 5.38 0.0 0.0 0
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400785 135049071 1 O4C13H20 A4B13C20 -187.07 3.67 -10.13 0.05 0
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400786 135049072 1 BNSO4C40H54 ABCD4E40F54 -177.6 3.71 -8.36 -0.1 0
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400787 135049078 1 BrSn2O3C30H63 AB2C3D30E63 -255.22 2.87 -9.6 0.21 0
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400788 135049079 1 OSnC19H40 ABC19D40 -106.32 2.63 -8.3 0.38 0
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400789 135049080 1 PSnO4C26H41 ABC4D26E41 -243.15 4.05 -9.28 0.18 0
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400790 135049081 1 CuNSnCl2Li3C13H27 ABCD2E3F13G27 -69.69 9.65 -7.6 -0.71 -1
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400791 135049084 1 TiO5C16H33 AB5C16D33 -226.42 3.38 0.0 0.0 -1
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400792 135049086 1 FOSiC7H14 ABCD7E14 -101.78 3.67 0.0 0.0 -1
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400793 135049088 1 FNSiC12H13 ABCD12E13 4.99 4.95 0.0 0.0 0