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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412755 135085672 1 BBrO2C8H14 ABC2D8E14 -154.74 3.49 -9.51 0.24 0
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412756 135085673 1 O3C11H16 A3B11C16 -145.31 4.06 -10.22 -0.25 0
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412757 135085674 1 O2C13H26 A2B13C26 -134.24 4.16 -9.68 1.23 0
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412758 135085675 1 NOSiC15H25 ABCD15E25 -74.18 1.93 -8.88 0.12 0
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412759 135085676 1 IF4H5C9 AB4C5D9 -149.66 2.59 -9.82 -1.81 0
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412760 135085677 1 N3C13H17 A3B13C17 65.14 3.19 -8.71 -0.28 0
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412761 135085678 1 ClFOC13H14 ABCD13E14 -76.59 3.22 -9.32 -0.77 0
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412762 135085680 1 O5C6H12 A5B6C12 -238.01 1.89 -10.49 0.94 0
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412763 135085682 1 IZnC10H19 ABC10D19 71.45 12.61 -5.4 -3.32 0
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412764 135085685 1 O2C11H18 A2B11C18 -93.74 0.86 -9.83 0.96 0
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412765 135085692 1 OF2H14C15 AB2C14D15 -58.89 2.47 -8.76 0.19 0
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412766 135085693 1 LiOC9H9 ABC9D9 14.89 6.97 -7.55 1.03 0
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412767 135085694 1 NO2C12H13 AB2C12D13 -41.0 3.03 -9.68 -0.6 0
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412768 135085695 1 O3C11H12 A3B11C12 -86.35 1.23 -8.45 -0.2 -1
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412769 135085696 1 CoO6H7C8 AB6C7D8 -175.98 7.89 -10.39 -5.2 0
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412770 135085697 1 SeO2N3C9H9 AB2C3D9E9 26.89 4.52 -9.04 -1.38 0
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412771 135085698 1 OSiC15H30 ABC15D30 -104.46 1.44 -8.74 0.54 0
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412772 135085699 1 NSO2C8H15 ABC2D8E15 -112.47 2.48 -8.84 0.21 0
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412773 135085700 1 IOC14H15 ABC14D15 -1.89 1.03 -8.86 -0.8 0
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412774 135085701 1 O3C8H14 A3B8C14 -129.82 0.23 -10.21 0.09 0
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412775 135085702 1 NC8H15 AB8C15 -1.28 1.37 -8.5 1.31 0
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412776 135085703 1 IZnC8H15 ABC8D15 -16.1 1.54 -9.07 -0.7 0
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412777 135085704 1 BrOZnH5C9 ABCD5E9 79.82 4.08 -9.95 -1.54 0
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412778 135085705 1 BrFNOH11C12 ABCDE11F12 -17.16 4.96 -9.51 -0.46 0
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412779 135085706 1 ION2C13H13 ABC2D13E13 22.78 2.51 -9.48 -0.97 0
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412780 135085707 1 SO2H12C14 AB2C12D14 22.0 3.6 -8.8 -1.4 0
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412781 135085708 1 BrMgH9C10 ABC9D10 76.5 4.11 -9.17 -0.81 0
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412782 135085709 1 ZnC16H26 AB16C26 27.29 1.54 -9.1 -0.98 0
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412783 135085712 1 LiNO2C9H16 ABC2D9E16 -109.91 8.53 -7.53 1.5 0
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412784 135085713 1 LiOH11C14 ABC11D14 44.13 6.92 -7.68 0.06 0
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412785 135085714 1 FO5C6H11 AB5C6D11 -283.16 1.61 -10.62 0.78 0
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412786 135085715 1 OC13H14 AB13C14 39.22 1.62 -8.52 0.09 0
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412787 135085716 1 O4C11H20 A4B11C20 -218.32 2.01 -10.57 0.68 0
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412788 135085717 1 OSe2H4C6 AB2C4D6 -5.52 3.14 -8.49 -1.02 0
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412789 135085718 1 NSO4C9H13 ABC4D9E13 -157.11 5.2 -8.41 -0.6 0
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412790 135085719 1 OS2H12C14 AB2C12D14 62.99 1.98 -8.85 -0.74 0
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412791 135085720 3 FNH2C3 ABC2D3 -71.04 3.04 -9.82 -1.34 0
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412792 135085721 1 NSO2C10H13 ABC2D10E13 -64.98 6.44 -9.12 0.08 0
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412793 135085722 1 NO2H9C11 AB2C9D11 -11.75 4.0 -10.04 -1.04 0
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412794 135085723 1 BCl2N2C5H9 AB2C2D5E9 -60.48 8.68 -9.46 -0.19 0
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412795 135085724 1 BrSiO2C10H21 ABC2D10E21 -168.48 2.07 -8.94 -0.45 0
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412796 135085725 1 NOC14H27 ABC14D27 -85.22 0.96 -9.47 1.29 0
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412797 135085726 1 NOC8H9 ABC8D9 5.26 2.34 -9.38 -0.34 0
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412798 135085727 1 BrO4C12H19 AB4C12D19 -180.89 3.33 -10.42 -0.43 0
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412799 135085728 1 NO2Cl3C6H6 AB2C3D6E6 -59.78 3.33 -10.24 -0.84 0
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412800 135085729 1 BrClOC13H14 ABCD13E14 0.63 1.11 -9.55 -0.38 0
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412801 135085730 1 BrNO2C11H14 ABC2D11E14 -37.34 3.06 -9.65 -0.88 0
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412802 135085731 1 O2C13H18 A2B13C18 -90.26 5.08 -9.86 -0.05 0
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412803 135085732 1 SO2C12H14 AB2C12D14 -3.65 1.56 -8.04 -0.23 0
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412804 135085733 1 O2C15H18 A2B15C18 -66.37 1.08 -9.74 -0.35 0
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412805 135085734 1 OCl2H8C9 AB2C8D9 -17.68 1.58 -9.19 -0.27 0
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412806 135085735 1 OC9H14 AB9C14 -22.75 4.79 -9.8 -0.34 0
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412807 135085736 1 LiOC8H13 ABC8D13 -78.85 5.38 -7.68 2.57 0
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412808 135085737 1 O2F3H3C8 A2B3C3D8 -165.94 2.87 -10.12 -1.53 0
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412809 135085738 1 ILiZnCl2C3H6 ABCD2E3F6 -109.22 3.34 -9.55 -2.57 0
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412810 135085739 1 O2C11H22 A2B11C22 -105.77 1.66 -10.07 1.75 0
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412811 135085740 1 NOSC12H17 ABCD12E17 -17.48 3.29 -8.23 0.07 0
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412812 135085741 1 NSO2C9H9 ABC2D9E9 -29.83 5.57 -9.2 -0.98 0
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412813 135085742 1 O4C13H22 A4B13C22 -214.57 1.58 -10.66 0.78 0
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412814 135085743 1 NO2C12H15 AB2C12D15 -54.38 3.87 -9.57 -0.27 0
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412815 135085744 1 OC14H24 AB14C24 -77.97 3.13 -9.4 0.24 0
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412816 135085745 1 NO2C13H17 AB2C13D17 -60.86 3.76 -9.58 -0.19 0
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412817 135085746 1 OCl2N2H8C9 AB2C2D8E9 -13.72 2.02 -9.32 -1.13 0
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412818 135085747 1 BrIOH8C12 ABCD8E12 23.03 1.74 -9.14 -1.08 0
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412819 135085748 1 BSN3C10H12 ABC3D10E12 100.44 3.32 -7.1 -0.11 0
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412820 135085749 1 BrO2H11C12 AB2C11D12 -24.07 1.92 -9.37 -0.28 0
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412821 135085750 1 SF3O3C10H15 AB3C3D10E15 -292.45 3.44 -9.52 -1.33 0
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412822 135085751 1 LiS3H5C7 AB3C5D7 49.15 7.34 -8.12 -0.7 0
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412823 135085752 1 OZnC9H12 ABC9D12 -9.59 3.4 -8.43 -1.17 0
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412824 135085753 1 BrSiC14H25 ABC14D25 -15.62 2.48 -9.5 -0.31 0
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412825 135085754 1 IZnC10H13 ABC10D13 14.34 1.29 -9.25 -0.81 0
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412826 135085755 1 IZnC7H13 ABC7D13 12.55 2.51 -9.35 -1.65 0
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412827 135085756 1 ClMgO2C9H9 ABC2D9E9 -67.4 4.22 -8.48 -0.42 0
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412828 135085757 1 NOC8H17 ABC8D17 -33.97 1.0 -9.23 1.13 0
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412829 135085758 1 ClOH13C15 ABC13D15 -9.69 4.43 -9.61 -0.58 0
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412830 135085759 1 NO2C12H19 AB2C12D19 -76.02 2.78 -10.97 -0.98 0
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412831 135085760 1 ClNS2O3H8C10 ABC2D3E8F10 -77.42 3.63 -9.56 -1.78 0
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412832 135085761 1 O4C13H20 A4B13C20 -174.3 4.35 -8.74 -0.02 0
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412833 135085762 1 BrOH9C10 ABC9D10 40.96 4.8 -8.94 -0.27 0
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412834 135085763 1 OS2H12C14 AB2C12D14 54.2 4.07 -8.7 -1.46 0
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412835 135085764 2 OC6H6 AB6C6 -10.85 1.26 -9.93 -0.68 0
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412836 135085765 1 CrO6H10C11 AB6C10D11 -218.8 2.8 -8.4 -0.4 0
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412837 135085766 1 CrOC6H10 ABC6D10 124.59 1.41 -6.89 0.89 0
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412838 135085767 1 O4C13H14 A4B13C14 -141.4 5.83 -9.18 -1.07 0
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412839 135085768 1 NSO2C12H17 ABC2D12E17 -60.38 4.6 -10.29 -0.61 0
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412840 135085769 1 FS2C12H15 AB2C12D15 -22.22 2.62 -8.62 -0.12 0
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412841 135085770 1 LiOH11C14 ABC11D14 44.11 6.94 -7.66 0.05 0
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412842 135085771 2 NOH5C6 ABC5D6 15.84 5.02 -10.38 -1.12 0
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412843 135085772 1 NBr2O4H5C9 AB2C4D5E9 -20.95 5.67 -9.66 -1.71 0
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412844 135085773 1 NOC12H17 ABC12D17 -22.26 4.14 -9.2 -0.63 0
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412845 135085774 1 F3C13H23 A3B13C23 -201.9 3.21 -10.89 0.1 0
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412846 135085775 1 NSSiO2C10H23 ABCD2E10F23 -128.77 4.16 -9.66 0.4 0
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412847 135085776 1 SN2O3C10H10 AB2C3D10E10 58.62 4.4 -9.44 -1.88 0
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412848 135085777 1 NOC8H15 ABC8D15 -28.18 0.75 -9.23 1.23 0
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412849 135085778 1 ClNC15H16 ABC15D16 31.61 1.59 -8.18 -0.19 0
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412850 135085779 1 BrClOC14H16 ABCD14E16 -10.0 2.42 -9.5 -0.37 0
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412851 135085780 1 BrO2C13H15 AB2C13D15 -25.12 1.16 -8.96 -0.26 0
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412852 135085781 1 NOCl2C9H9 ABC2D9E9 -15.69 2.1 -9.9 -1.09 0
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412854 135085783 1 F3H4C7 A3B4C7 -74.88 1.72 0.0 0.0 0
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412855 135085784 1 O3C14H20 A3B14C20 -129.03 4.09 -9.82 -0.3 0