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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314702 126622772 1 NPO8C43H82 ABC8D43E82 -531.38 14.41 -9.4 -0.24 1
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314703 126622774 1 NPO8C43H83 ABC8D43E83 -490.98 4.22 0.0 0.0 0
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314704 126622775 1 ClNOC9H20 ABCD9E20 -116.39 5.37 -9.99 1.56 0
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314705 126622776 1 ClNOC9H20 ABCD9E20 -112.62 1.55 -9.51 1.99 0
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314706 126622782 2 NH7C8 AB7C8 76.31 4.73 -9.26 -0.59 0
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314707 126622784 1 OC23H40 AB23C40 -117.64 1.5 -8.45 0.41 0
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314708 126622793 1 FNOH14C16 ABCD14E16 -54.92 4.96 -9.24 -0.43 0
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314709 126622797 1 ClNC15H20 ABC15D20 -12.17 2.77 -9.04 0.15 0
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314710 126622801 1 FNH12C15 ABC12D15 15.39 3.75 -9.47 -0.26 0
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314711 126622803 1 PO11C47H93 AB11C47D93 -690.3 6.49 -9.4 0.04 0
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314712 126622804 1 O11C51H96 A11B51C96 -641.71 3.48 -10.17 -0.18 0
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314713 126622805 1 CuNOC4H5 ABCD4E5 206.39 1.37 0.0 0.0 0
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314714 126622806 1 O11C51H96 A11B51C96 -638.56 1.34 -9.88 -0.34 0
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314715 126622807 1 FNOH14C16 ABCD14E16 -56.44 5.14 -9.35 -0.3 0
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314716 126622811 1 NOC16H17 ABC16D17 0.66 2.94 -8.48 -0.07 0
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314717 126622814 1 Cl3N3O7C27H30 A3B3C7D27E30 -256.25 10.61 -8.64 -0.59 0
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314718 126622820 1 Cl3N3O7H22C23 A3B3C7D22E23 -233.01 6.34 -8.89 -0.95 0
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314719 126622821 2 O2C9H19 A2B9C19 -127.43 3.15 -9.03 0.48 0
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314720 126622823 1 PO3C11H17 AB3C11D17 -170.54 2.48 -9.01 0.25 0
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314721 126622844 1 F2O3N5H13C14 A2B3C5D13E14 -133.56 7.69 -9.3 -1.23 0
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314722 126622861 1 FO2N3C15H22 AB2C3D15E22 -125.32 2.27 -8.88 -0.08 0
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314723 126622862 1 O3N5H27C31 A3B5C27D31 23.59 6.95 -8.74 -0.75 0
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314724 126622864 1 O3N5H27C31 A3B5C27D31 25.38 11.92 -8.44 -0.68 0
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314725 126622870 1 BrOF2N3C10H10 ABC2D3E10F10 -109.88 5.6 -9.79 -0.8 0
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314726 126622876 1 PO3C38H57 AB3C38D57 -216.41 4.1 -9.04 0.08 0
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314727 126622887 1 BrNO2H10C12 ABC2D10E12 -26.43 4.98 -9.13 -0.87 0
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314728 126622888 1 O3N6H26C27 A3B6C26D27 0.14 8.33 -8.93 -0.71 0
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314729 126622889 1 BrFON3C13H15 ABCD3E13F15 -53.13 2.23 -9.34 -0.6 0
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314730 126622890 1 BrF2N2O3H11C12 AB2C2D3E11F12 -196.74 8.06 -9.73 -1.01 0
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314731 126622891 1 BrO3N7H26C27 AB3C7D26E27 -2.69 3.88 -9.12 -1.03 0
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314732 126622901 2 OC8H11 AB8C11 -95.8 4.81 -9.38 -0.18 0
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314733 126622909 1 O3F4N5C10H11 A3B4C5D10E11 -276.97 7.3 -10.07 -0.78 0
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314734 126622912 1 BrN3O4C14H16 AB3C4D14E16 -121.98 8.11 -9.46 -0.53 0
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314735 126622913 1 BrO3N7C28H28 AB3C7D28E28 -17.3 8.28 -8.91 -0.78 0
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314736 126622916 1 ClFO3N8H22C25 ABC3D8E22F25 -29.6 7.39 -9.17 -1.09 0
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314737 126622920 1 OF2N2C11H18 AB2C2D11E18 -159.07 0.97 -9.4 0.8 0
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314738 126622921 1 ClOF2N2C11H19 ABC2D2E11F19 -193.36 1.44 -9.33 0.86 0
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314739 126622925 1 FO3N7H28C29 AB3C7D28E29 -31.94 6.19 -9.04 -0.91 0
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314740 126622926 1 BrFO2N3C11H13 ABC2D3E11F13 -97.23 6.08 -8.66 -0.54 0
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314741 126622928 1 ClON3F4C12H20 ABC3D4E12F20 -303.81 7.91 -9.2 0.72 0
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314742 126622931 1 FO3N5C13H14 AB3C5D13E14 -105.81 6.71 -9.04 -0.88 0
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314743 126622954 1 FN4O4H13C14 AB4C4D13E14 -135.32 7.72 -9.63 -1.28 0
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314744 126622970 1 BrON3C11H12 ABC3D11E12 21.05 2.99 -9.37 -0.6 0
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314745 126622977 1 BrFN2C6H6 ABC2D6E6 -26.72 4.38 -8.99 -0.56 0
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314746 126622978 1 O3N5H13C15 A3B5C13D15 -14.61 4.62 -9.39 -1.6 0
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314747 126622979 1 OSN3F4C10H11 ABC3D4E10F11 -224.01 4.54 -9.41 -0.84 0
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314748 126622980 1 O4N5C19H19 A4B5C19D19 -67.89 3.58 -9.55 -1.43 0
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314749 126622983 1 BrFO4N7H23C26 ABC4D7E23F26 -79.59 9.27 -9.0 -0.88 0
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314750 126622991 1 SF2N2O5H18C19 AB2C2D5E18F19 -258.17 3.32 -9.65 -0.86 0
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314751 126622995 1 BrFON6C10H10 ABCD6E10F10 13.1 1.97 -9.53 -0.73 0
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314752 126623000 1 BrO3N8C33H35 AB3C8D33E35 23.25 4.89 -9.06 -0.85 0
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314753 126623001 1 BrClON3C12H17 ABCD3E12F17 -71.31 4.14 -9.38 -0.65 0
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314754 126623007 1 FCl2O3N6C26H27 AB2C3D6E26F27 -90.23 5.79 -9.22 -1.14 0
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314755 126623008 1 NO5C14H23 AB5C14D23 -231.43 5.98 -9.73 -0.11 0
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314756 126623011 1 BrO3N7H26C27 AB3C7D26E27 1.2 11.42 -8.74 -1.13 0
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314757 126623012 1 O3N4H14C16 A3B4C14D16 -25.13 3.24 -9.28 -1.25 0
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314758 126623014 1 O2N6H14C17 A2B6C14D17 56.39 2.98 -9.03 -0.91 0
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314759 126623015 1 BrO2N3C10H12 AB2C3D10E12 -58.78 5.34 -9.36 -0.55 0
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314760 126623017 1 BrFOSN3C9H11 ABCDE3F9G11 -77.07 3.95 -8.86 -0.53 0
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314761 126623018 1 BrON2H7C8 ABC2D7E8 13.93 1.23 -9.25 -0.75 0
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314762 126623019 1 ClFO2H8C10 ABC2D8E10 -107.24 3.95 -9.88 -0.63 0
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314763 126623025 1 SN3O3C18H19 AB3C3D18E19 -55.47 4.15 -8.92 -0.95 0
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314764 126623028 1 BrN3O3C10H10 AB3C3D10E10 -78.93 9.78 -9.81 -0.96 0
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314765 126623029 1 O3F4N8H26C27 A3B4C8D26E27 -198.01 7.01 -9.08 -0.93 0
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314766 126623033 1 F3O3N4C12H13 A3B3C4D12E13 -219.11 4.3 -9.03 -0.18 0
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314767 126623034 1 BrFO5N7H25C27 ABC5D7E25F27 -117.7 6.08 -9.23 -1.08 0
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314768 126623035 1 O3N4C21H24 A3B4C21D24 -64.81 5.74 -8.87 -0.83 0
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314769 126623036 1 N3O3H13C18 A3B3C13D18 -7.56 6.39 -9.46 -1.3 0
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314770 126623037 1 ClOF2N2C11H19 ABC2D2E11F19 -192.25 2.11 -9.28 0.92 0
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314771 126623038 1 OF2N2C11H18 AB2C2D11E18 -158.97 1.04 -9.38 0.82 0
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314772 126623039 1 BrN3O3C14H16 AB3C3D14E16 -102.94 2.9 -9.6 -0.81 0
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314773 126623040 1 BrFO4N6H26C28 ABC4D6E26F28 -111.87 11.18 -8.63 -0.87 0
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314774 126623042 1 BrFO3N6H24C27 ABC3D6E24F27 -52.32 5.81 -9.14 -1.01 0
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314775 126623043 1 BrFO3N7H25C27 ABC3D7E25F27 -59.36 7.23 -9.09 -0.98 0
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314776 126623044 1 BrClON3C10H13 ABCD3E10F13 -48.91 7.79 -9.65 -0.83 0