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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335788 127254650 1 FO2N4C21H23 AB2C4D21E23 -39.07 4.59 -8.88 -0.8 0
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335789 127254651 1 ON4C24H26 AB4C24D26 36.75 2.19 -8.81 -0.3 0
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335790 127254652 1 O3S3N6C14H20 A3B3C6D14E20 -31.77 10.21 -8.52 -1.81 0
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335791 127254653 1 ClO3N4H15C16 AB3C4D15E16 -41.96 5.0 -8.89 -1.16 0
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335792 127254654 1 O3N5C23H29 A3B5C23D29 -40.08 2.73 -8.38 -0.02 0
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335793 127254655 1 NO5C21H21 AB5C21D21 -123.65 4.3 -8.39 -0.82 0
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335794 127254656 1 ClN3O5C21H22 AB3C5D21E22 -179.38 3.66 -8.96 -0.6 0
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335795 127254657 1 ON5C19H23 AB5C19D23 34.39 5.34 -8.22 -1.1 0
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335796 127254658 1 N4O4H22C23 A4B4C22D23 -96.9 4.37 -9.5 -0.69 0
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335797 127254659 2 OSN2C9H9 ABC2D9E9 14.22 8.36 -8.58 -1.5 0
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335798 127254660 1 N3O3H23C25 A3B3C23D25 -36.1 1.28 -9.29 -1.08 0
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335799 127254661 1 N4O4C11H12 A4B4C11D12 -61.28 4.06 -8.72 -0.97 0
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335800 127254662 1 O2N3C20H23 A2B3C20D23 -58.33 5.41 -8.84 -0.86 0
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335801 127254663 1 O2N3H21C22 A2B3C21D22 -16.52 6.15 -8.43 -0.53 0
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335802 127254664 1 BrO3N4C29H35 AB3C4D29E35 -64.27 4.35 -8.8 -1.3 0
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335803 127254665 1 SO4N5H19C23 AB4C5D19E23 -72.26 8.14 -8.98 -1.34 0
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335804 127254666 1 BrN3O5H22C33 AB3C5D22E33 78.68 4.84 -8.75 -1.72 0
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335805 127254667 1 N3O3C22H23 A3B3C22D23 -23.09 4.19 -8.76 -0.89 0
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335806 127254668 1 N4O4C23H24 A4B4C23D24 -124.34 4.81 -9.69 -0.91 0
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335807 127254669 1 ON6C20H24 AB6C20D24 68.79 7.09 -8.7 -0.27 0
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335808 127254670 1 ON3C19H23 AB3C19D23 3.55 6.17 -8.16 -0.06 0
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335809 127254671 1 OSN6C10H14 ABC6D10E14 58.98 5.52 -9.46 -1.14 0
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335810 127254672 1 FO3N5H12C18 AB3C5D12E18 -58.92 8.7 -8.85 -1.49 0
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335812 127254674 1 O2F3N5C22H24 A2B3C5D22E24 -176.15 5.27 -9.18 -0.83 0
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335813 127254675 1 BrClN2O4H20C28 ABC2D4E20F28 -58.2 3.08 -8.82 -0.88 0
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335814 127254676 1 ON7C16H21 AB7C16D21 69.78 6.64 -9.16 -0.45 0
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335815 127254677 1 N4O5C25H26 A4B5C25D26 -166.09 4.12 -8.86 -0.97 0
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335816 127254678 1 SO2N7C20H23 AB2C7D20E23 56.02 6.83 -8.09 -0.8 0
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335817 127254679 1 N3O5C25H27 A3B5C25D27 -160.14 1.93 -8.91 -1.04 0
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335818 127254680 2 SN2O2C12H13 AB2C2D12E13 -89.88 1.53 -8.8 -1.41 0
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335819 127254681 1 ON7C19H25 AB7C19D25 62.23 5.81 -9.06 -0.47 0
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335820 127254682 1 ON5C22H29 AB5C22D29 11.03 8.68 -8.04 -1.0 0
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335821 127254683 1 N4O7C24H28 A4B7C24D28 -244.09 10.1 -8.84 -0.46 0
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335822 127254684 1 O2N5C17H19 A2B5C17D19 -3.53 6.01 -8.53 -0.05 0
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335823 127254685 1 ON4C19H22 AB4C19D22 10.53 1.79 -8.52 -0.21 0
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335824 127254686 1 N4O5C17H18 A4B5C17D18 -168.5 3.0 -8.68 -0.73 0
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335825 127254687 1 SO2N4C20H20 AB2C4D20E20 -27.64 4.07 -8.18 -1.29 0
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335826 127254688 1 ON8C14H18 AB8C14D18 93.24 4.39 -9.53 -1.04 0
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335827 127254689 1 ON4C20H26 AB4C20D26 8.5 2.71 -8.39 -0.03 0
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335828 127254690 1 BrN3O3H22C32 AB3C3D22E32 93.98 1.76 -8.68 -1.06 0
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335829 127254691 1 FNO6H28C36 ABC6D28E36 -132.59 4.64 -8.35 -1.15 0
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335830 127254692 1 N3O4H17C18 A3B4C17D18 -76.67 3.81 -8.65 -0.76 0
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335831 127254693 1 OSN6H16C17 ABC6D16E17 98.49 4.2 -8.09 -1.44 0
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335832 127254694 1 FNCl2O3H20C33 ABC2D3E20F33 -29.08 3.5 -9.04 -1.39 0
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335833 127254695 1 F3N3O4H20C21 A3B3C4D20E21 -256.78 9.11 -8.96 -0.67 0
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335834 127254696 1 OF3N3C16H18 AB3C3D16E18 -158.57 7.52 -8.78 -1.0 0
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335835 127254697 1 O3N4C16H16 A3B4C16D16 -57.25 12.01 -9.1 -1.08 0
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335836 127254698 1 BrFNO3H23C34 ABCD3E23F34 36.15 3.93 -8.98 -1.42 0
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335837 127254699 1 OSN7C15H17 ABC7D15E17 100.1 3.51 -9.24 -1.26 0
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335839 127254701 1 SO3N5H21C24 AB3C5D21E24 -16.49 8.48 -8.42 -1.47 0
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335840 127254702 1 F3O3N4C19H21 A3B3C4D19E21 -255.76 6.69 -9.15 -0.75 0
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335841 127254703 1 BrN2O5H27C35 AB2C5D27E35 14.61 8.25 -8.58 -0.71 0
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335842 127254704 1 ClFN3O4C21H21 ABC3D4E21F21 -176.75 7.9 -9.01 -0.61 0
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335843 127254705 1 N2O5C24H24 A2B5C24D24 -117.78 3.8 -8.39 -0.82 0
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335844 127254706 1 N4O4C19H26 A4B4C19D26 -138.32 4.22 -8.27 0.1 0
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335845 127254707 1 NO2C25H29 AB2C25D29 -34.21 2.16 -9.04 -1.46 0
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335846 127254708 1 Cl2O3N4C18H20 A2B3C4D18E20 -11.23 16.41 -7.64 -1.32 1
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335847 127254709 1 ClO3N4C18H20 AB3C4D18E20 -33.3 7.41 0.0 0.0 0
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335848 127254710 1 ClN4O6C21H21 AB4C6D21E21 -137.16 6.83 -9.58 -1.29 0
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335849 127254711 1 ClO3N4C19H25 AB3C4D19E25 -117.0 4.76 -8.64 -0.05 0
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335850 127254712 1 N3O3C25H25 A3B3C25D25 -77.03 3.05 -8.09 -0.25 0
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335851 127254713 1 SO3N6C17H24 AB3C6D17E24 -42.77 5.54 -8.78 -0.8 0
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335852 127254714 1 O3N4C18H20 A3B4C18D20 -47.07 6.65 -8.51 -0.51 0
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335853 127254715 1 ON4C21H26 AB4C21D26 19.66 4.97 -8.58 0.07 0
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335854 127254716 1 ClNO3H30C37 ABC3D30E37 -4.53 6.15 -8.43 -1.3 0
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335855 127254717 1 OSN3C16H21 ABC3D16E21 -6.2 3.39 -8.53 -0.32 0
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335856 127254718 1 N3O3C13H19 A3B3C13D19 -85.86 10.41 -8.48 0.16 0
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335857 127254719 1 OF3N7H10C12 AB3C7D10E12 -72.82 1.94 -9.42 -1.17 0
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335858 127254720 1 O2N5C22H27 A2B5C22D27 16.28 6.15 -8.49 -0.41 0
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335859 127254721 1 BrNO3H22C33 ABC3D22E33 39.34 5.05 -8.46 -1.31 0
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335860 127254722 1 NO6C27H27 AB6C27D27 -130.23 4.43 -8.95 -0.74 0
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335861 127254723 1 NF3O5H24C36 AB3C5D24E36 -158.05 8.11 -8.52 -1.54 0
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335862 127254724 1 SO3N6C13H14 AB3C6D13E14 9.82 6.52 -8.99 -1.78 0
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335863 127254725 1 O3N5C23H23 A3B5C23D23 -26.81 6.07 -8.61 -1.11 0
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335864 127254726 1 O3N5C20H23 A3B5C20D23 -14.39 5.1 -8.32 -1.1 0