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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
49688 11533552 2 O2C17H18 A2B17C18 -144.6 3.36 -8.83 -0.61 0
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49689 11533553 1 ON6C31H36 AB6C31D36 113.05 8.98 -8.89 -0.55 0
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49690 11533556 1 ClO2N8C25H29 AB2C8D25E29 49.86 3.77 -8.5 -0.76 0
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49691 11533558 1 BrSO3N6C20H25 ABC3D6E20F25 -37.55 6.32 -8.52 -1.15 0
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49692 11533559 1 Cl2O2N4H26C27 A2B2C4D26E27 -1.16 1.25 -8.52 -0.96 0
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49693 11533567 1 OSN3C32H35 ABC3D32E35 24.88 6.47 -7.84 -0.39 0
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49694 11533572 1 SO3F4N4H22C23 AB3C4D4E22F23 -226.24 6.02 -9.05 -0.67 0
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49695 11533576 1 SO3N6C26H34 AB3C6D26E34 -26.19 6.09 -8.51 -0.82 0
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49696 11533583 1 F2O2N5H23C29 A2B2C5D23E29 -26.66 4.19 -9.47 -1.33 0
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49697 11533586 1 F2N3O3C29H35 A2B3C3D29E35 -155.61 8.01 -9.53 -0.32 0
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49698 11533587 1 O3N5C30H33 A3B5C30D33 -48.11 4.49 -8.27 -1.5 0
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49699 11533589 1 S2N3O4C26H29 A2B3C4D26E29 -97.3 4.92 -8.9 -0.54 0
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49700 11533590 1 NSO5C29H37 ABC5D29E37 -171.56 1.15 -9.1 -0.9 0
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49701 11533594 1 ClOSN7C25H30 ABCD7E25F30 81.17 2.74 -8.78 -0.84 0
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49702 11533595 1 BrFO2N5H23C24 ABC2D5E23F24 -31.57 3.11 -8.84 -0.74 0
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49703 11533597 1 F3O3N6H23C25 A3B3C6D23E25 -167.93 3.1 -9.1 -1.62 0
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49704 11533604 2 OC18H24 AB18C24 -75.66 4.01 -8.49 -0.14 0
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49705 11533605 1 ClSF3N4O4H16C21 ABC3D4E4F16G21 -225.46 3.65 -8.8 -1.78 0
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49706 11533609 1 BrCl2O2N5C20H20 AB2C2D5E20F20 45.7 7.39 -8.48 -1.27 0
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49707 11533612 1 O4N5C29H31 A4B5C29D31 -57.69 8.44 -8.32 -0.56 0
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49708 11533619 2 NOF3C13H14 ABC3D13E14 -373.97 6.21 -8.81 -1.32 0
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49709 11533620 1 O6N8C23H30 A6B8C23D30 -218.1 9.52 -9.35 -1.44 0
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49710 11533621 1 F3O3N4C27H29 A3B3C4D27E29 -229.89 5.65 -9.41 -0.8 0
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49711 11533623 2 NO3C15H15 AB3C15D15 -168.72 4.14 -8.7 -0.48 0
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49712 11533624 1 N4O7C26H34 A4B7C26D34 -282.71 2.2 -8.53 -0.53 0
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49713 11533634 1 ClFOSN6C25H28 ABCDE6F25G28 -10.47 4.21 -8.74 -0.42 0
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49714 11533650 1 ClNSO5C27H30 ABCD5E27F30 -180.35 6.79 -8.96 -0.86 0
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49715 11533651 1 BN4O5C28H33 AB4C5D28E33 -228.58 5.21 -9.45 -0.77 0
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49716 11533652 1 BrFNOSH19C28 ABCDEF19G28 37.03 3.73 -8.92 -1.03 0
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49717 11533653 1 O12H24C25 A12B24C25 -454.27 3.11 -8.93 -0.91 0
Show
49718 11533655 1 O4N6H20C29 A4B6C20D29 88.59 8.8 -9.21 -1.75 0
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49719 11533657 1 O9C28H36 A9B28C36 -197.36 10.79 -8.87 -0.72 0
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49720 11533658 1 O2N6H28C31 A2B6C28D31 36.85 5.86 -9.13 -1.08 0
Show
49721 11533659 1 O2N6H28C31 A2B6C28D31 43.58 2.99 -8.93 -0.94 0
Show
49722 11533660 1 FN2O4C31H33 AB2C4D31E33 -127.2 6.13 -8.89 -0.56 0
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49723 11533664 1 ON4C33H48 AB4C33D48 5.7 7.59 -9.01 -0.31 0
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49724 11533665 1 ClS2N4O5H17C22 AB2C4D5E17F22 -95.74 5.57 -8.86 -1.93 0
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49725 11533666 1 ClSN4O4C25H29 ABC4D4E25F29 -83.19 4.57 -9.09 -0.98 0
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49726 11533667 1 BrF2N4O4C21H27 AB2C4D4E21F27 -253.75 12.48 -8.66 -0.26 0
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49728 11533670 1 BrSN2O5H21C23 ABC2D5E21F23 -123.75 3.41 -9.72 -1.05 0
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49729 11533671 1 F3N3O4H18C28 A3B3C4D18E28 -178.19 4.98 -9.12 -1.32 0
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49730 11533676 1 ON7C31H31 AB7C31D31 90.61 8.22 -8.62 -1.02 0
Show
49732 11533681 1 N3O3C29H43 A3B3C29D43 -122.42 3.04 -8.73 0.2 0
Show
49733 11533682 2 OF3C14H18 AB3C14D18 -387.26 0.88 -8.75 -0.12 0
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49734 11533684 1 SN4O5H26C27 AB4C5D26E27 -40.48 7.16 -8.82 -1.85 0
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49735 11533685 1 N4O5C29H34 A4B5C29D34 -185.61 6.34 -8.76 -0.33 0
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49736 11533686 1 N8C31H34 A8B31C34 156.39 1.93 -8.29 -0.85 0
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49737 11533687 1 SO3N4C29H34 AB3C4D29E34 -71.91 5.26 -7.98 -0.44 0
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49739 11533694 1 ClSN4O4C25H31 ABC4D4E25F31 -84.17 6.41 -8.99 -0.63 0
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49740 11533698 1 N2H34C35 A2B34C35 129.48 2.51 -8.89 -0.06 0
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49741 11533708 1 SO2N7C27H33 AB2C7D27E33 58.61 2.73 -8.46 -1.05 0
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49742 11533709 1 NSiO6C28H45 ABC6D28E45 -322.29 5.29 -8.72 0.19 0
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49743 11533712 1 OCl2F3N5H18C24 AB2C3D5E18F24 -95.9 3.44 -9.23 -1.1 0
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49744 11533716 1 SF3O3N6C23H23 AB3C3D6E23F23 -180.79 4.27 -8.27 -0.47 0
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49745 11533717 1 N4O7C27H28 A4B7C27D28 -141.92 6.51 -8.6 -1.49 0
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49746 11533719 1 F3O3N4C27H35 A3B3C4D27E35 -197.13 5.12 -7.97 -0.84 0
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49747 11533720 1 FN4O4C29H33 AB4C4D29E33 -151.17 7.35 -9.32 -0.22 0
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49748 11533722 2 FNOC16H19 ABCD16E19 -161.2 5.69 -9.42 -0.2 0
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49749 11533725 1 ClN6O7C22H25 AB6C7D22E25 -222.17 8.86 -9.34 -1.48 0
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49750 11533726 1 ClFN4O5C25H30 ABC4D5E25F30 -233.42 6.73 -8.91 -0.42 0
Show
49751 11533727 1 ClF3N8C24H28 AB3C8D24E28 -78.39 7.64 -8.94 -0.59 0
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49752 11533728 1 ClF2O3N4C26H31 AB2C3D4E26F31 -195.0 7.85 -9.1 -0.57 0
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49753 11533729 1 SF3O3N7C22H22 AB3C3D7E22F22 -166.5 5.83 -8.68 -0.72 0
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49754 11533730 1 SF3O3N7C22H22 AB3C3D7E22F22 -199.68 4.57 -8.57 -0.89 0
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49755 11533731 1 O2F3N5H26C28 A2B3C5D26E28 -137.2 9.93 -8.8 -1.18 0
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49756 11533732 1 FO4N7C26H28 AB4C7D26E28 -87.13 5.49 -8.85 -1.23 0
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49757 11533733 1 O2F3N7C25H34 A2B3C7D25E34 -187.63 1.67 -8.61 -0.96 0
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49758 11533734 1 F3N3O3C28H38 A3B3C3D28E38 -256.15 6.52 -8.57 -0.85 0
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49759 11533735 1 NSO5C30H35 ABC5D30E35 -161.92 7.98 -9.36 -0.85 0
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49760 11533736 1 NSO5C30H35 ABC5D30E35 -180.7 4.18 -8.33 -1.37 0
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49761 11533737 1 O2N7C29H43 A2B7C29D43 -30.57 5.4 -8.47 -0.18 0
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49762 11533739 1 ClFO3N5H25C27 ABC3D5E25F27 -62.49 3.41 -8.51 -1.04 0
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49763 11533741 1 SF6H8O8C20 AB6C8D8E20 -556.42 3.08 -10.27 -2.17 0
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49764 11533745 1 FN4O6C26H39 AB4C6D26E39 -292.33 3.93 -9.24 0.17 0
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49765 11533767 1 SN3O3C28H29 AB3C3D28E29 -35.41 6.84 -9.07 -0.74 0
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49766 11533775 1 N4O4C31H32 A4B4C31D32 -72.87 5.31 -9.09 -1.22 0
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49767 11533776 1 ClBr2O3H17C22 AB2C3D17E22 -62.64 4.67 -9.54 -0.84 0
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49768 11533777 1 FSO3N4C28H33 ABC3D4E28F33 -69.45 7.97 -8.6 -0.54 0
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49769 11533782 1 BrO4N6H21C23 AB4C6D21E23 -33.93 5.51 -9.99 -1.43 0
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49770 11533784 1 NSF3O5C26H30 ABC3D5E26F30 -313.76 7.75 -9.37 -0.44 0
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49771 11533793 1 NSCl2O5C25H29 ABC2D5E25F29 -214.23 7.21 -9.81 -1.6 0
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49772 11533794 1 BrFNO2C29H33 ABCD2E29F33 -75.42 12.21 -7.9 -0.49 1
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49773 11533795 1 FNO2C29H33 ABC2D29E33 -35.35 3.48 0.0 0.0 0
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49774 11533811 1 N3O4C32H37 A3B4C32D37 -136.07 7.8 -8.78 -0.98 0
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49775 11533813 1 S2N3O5C26H29 A2B3C5D26E29 -51.36 9.6 -8.42 -1.43 0
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49776 11533814 1 BrClO2N4H24C25 ABC2D4E24F25 39.13 3.44 -8.73 -0.86 0
Show
49777 11533815 1 NSi2O4C29H45 AB2C4D29E45 -221.8 2.58 -8.18 0.08 0
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49778 11533816 1 BrFO3N7H19C22 ABC3D7E19F22 58.68 7.24 -9.2 -1.34 0
Show
49779 11533817 1 BrNO4H22C29 ABC4D22E29 -31.51 3.23 -8.66 -1.19 0
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49780 11533818 1 SO3N4F6H14C22 AB3C4D6E14F22 -310.88 5.08 -9.24 -2.44 0
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49781 11533819 1 BrNO5C27H30 ABC5D27E30 -162.4 5.72 -8.21 -0.54 0
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49782 11533820 1 O5F6H22C26 A5B6C22D26 -457.38 4.42 -9.54 -0.63 0
Show
49784 11533823 1 BrNS2O3H22C25 ABC2D3E22F25 -28.22 8.99 -8.5 -1.57 0
Show
49785 11533824 2 FO2N3C13H15 AB2C3D13E15 -209.72 4.96 -9.22 -0.73 0
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49786 11533825 1 SN2F4O4C25H28 AB2C4D4E25F28 -322.01 6.37 -8.76 -1.55 0
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49787 11533827 2 FN2O2C14H17 AB2C2D14E17 -232.01 10.75 -9.92 -0.82 0
Show
49788 11533828 1 O3N8C28H32 A3B8C28D32 -10.86 1.42 -8.25 -0.4 0
Show
49789 11533830 1 O7C31H44 A7B31C44 -292.39 1.75 -8.69 0.01 0
Show
49790 11533831 1 ClO4N6H21C27 AB4C6D21E27 -72.59 4.04 -8.93 -1.09 0
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49791 11533832 1 ClFO3N6C26H30 ABC3D6E26F30 -97.11 4.53 -8.38 -0.97 0