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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317794 126645774 1 O3N4C20H22 A3B4C20D22 -18.44 4.61 -8.91 -0.54 0
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317795 126645781 1 ClF3O3N4H14C18 AB3C3D4E14F18 -183.29 5.97 -8.93 -1.18 0
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317797 126645787 1 N3O5C16H21 A3B5C16D21 -152.31 2.92 -8.77 -0.66 0
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317800 126645795 2 NO2H11C12 AB2C11D12 -64.21 3.36 -9.01 -0.91 0
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317801 126645802 1 SN2F3O6H13C17 AB2C3D6E13F17 -300.84 5.95 -9.48 -1.36 0
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317802 126645805 1 N2O6H14C19 A2B6C14D19 -179.5 6.96 -9.42 -1.57 0
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317803 126645806 1 ClF3O3N4H16C19 AB3C3D4E16F19 -186.0 1.78 -8.72 -1.1 0
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317804 126645807 1 SN3O6C18H19 AB3C6D18E19 -146.97 6.41 -9.34 -1.18 0
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317805 126645811 1 SN2F3O5H17C18 AB2C3D5E17F18 -278.78 4.85 -8.95 -1.19 0
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317806 126645820 1 NSF4O5C28H29 ABC4D5E28F29 -366.06 2.86 -9.26 -1.0 0
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317807 126645822 1 ClNSF4O4C30H34 ABCD4E4F30G34 -340.37 8.0 -8.86 -1.01 0
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317809 126645826 1 ClNSF5O5C30H31 ABCD5E5F30G31 -413.75 7.06 -8.97 -0.99 0
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317810 126645842 1 FNO5H16C18 ABC5D16E18 -192.99 3.49 -8.96 -1.16 0
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317811 126645853 1 N2F3O4H15C17 A2B3C4D15E17 -237.59 5.44 -8.94 -0.57 0
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317812 126645892 1 N2O4C7H12 A2B4C7D12 -194.65 4.13 -10.04 0.51 0
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317813 126645924 1 NSF5O5H32C34 ABC5D5E32F34 -366.93 3.5 -9.41 -1.2 0
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317815 126645938 1 NSF4O5C27H27 ABC4D5E27F27 -357.63 5.75 -9.53 -1.18 0
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317816 126646010 1 SN2C12H14 AB2C12D14 45.31 6.08 -8.66 -0.51 0
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317817 126646079 1 SN2O3F5C24H29 AB2C3D5E24F29 -329.07 3.59 -9.32 -0.65 0
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317818 126646093 2 ClNO2H8C9 ABC2D8E9 -104.46 2.67 -9.05 -0.8 0
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317819 126646158 1 ClNSO4F5H27C28 ABCD4E5F27G28 -354.91 2.94 -9.25 -1.18 0
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317820 126646199 1 SN4O7C18H26 AB4C7D18E26 -265.9 4.16 -9.15 -0.14 0
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317823 126646236 1 ClNO2C6H12 ABC2D6E12 -116.66 4.36 -10.06 1.21 0
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317824 126646239 1 ClNSO3F4C28H30 ABCD3E4F28G30 -286.41 8.04 -9.23 -0.88 0
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317826 126646241 1 NO4H15C16 AB4C15D16 -123.76 3.83 -9.9 -1.5 0
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317827 126646243 1 NSO3F4C26H27 ABC3D4E26F27 -268.74 9.07 -9.19 -0.69 0
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317828 126646248 1 ClNO2F9H29C34 ABC2D9E29F34 -478.56 5.41 -9.41 -0.7 0
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317829 126646253 1 ClF3N3O3C31H35 AB3C3D3E31F35 -202.37 5.92 -9.1 -0.89 0
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317830 126646271 1 NSF5O5H26C27 ABC5D5E26F27 -395.03 7.32 -9.52 -1.19 0
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317831 126646273 1 SN2F4O4C30H34 AB2C4D4E30F34 -324.12 7.92 -9.33 -0.76 0
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317832 126646275 1 ClNSF4O4C31H36 ABCD4E4F31G36 -351.88 2.74 -9.18 -0.85 0
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317833 126646283 1 SN2F3O3C26H35 AB2C3D3E26F35 -259.3 9.26 -9.16 -0.57 0
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317834 126646292 1 FN2O5H19C23 AB2C5D19E23 -157.19 9.84 -9.48 -1.47 0
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317835 126646336 1 ClNSF4O4C28H30 ABCD4E4F28G30 -330.54 4.49 -9.16 -0.93 0
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317836 126646339 1 ClSN2F3O3C26H34 ABC2D3E3F26G34 -268.96 6.54 -9.29 -0.76 0
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317839 126646360 1 NSF4O4C27H29 ABC4D4E27F29 -323.85 4.92 -9.19 -0.69 0
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317841 126646380 1 ClNSO4F5C31H35 ABCD4E5F31G35 -399.68 6.05 -9.06 -0.82 0
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317842 126646385 1 NSO4F5C28H30 ABC4D5E28F30 -365.62 5.81 -9.42 -1.01 0
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317843 126646386 1 SN2O3F5C25H31 AB2C3D5E25F31 -354.21 3.7 -9.33 -0.82 0
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317844 126646394 1 ClNSF3O4C30H35 ABCD3E4F30G35 -289.43 11.96 -9.04 -1.03 0
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317845 126646417 1 N3O4F5H12C18 A3B4C5D12E18 -311.59 6.42 -9.87 -1.46 0
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317846 126646431 1 ClSN2O3F6C25H29 ABC2D3E6F25G29 -418.56 7.09 -9.49 -1.09 0
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317847 126646433 1 SN2O3F4C22H26 AB2C3D4E22F26 -270.63 5.85 -9.26 -0.77 0
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317848 126646435 1 NSF4O4C27H29 ABC4D4E27F29 -312.96 6.98 -9.21 -1.05 0
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317849 126646437 1 ClSN2O3F4C23H27 ABC2D3E4F23G27 -289.6 5.4 -9.23 -1.1 0
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317850 126646478 1 NSO4F5H24C26 ABC4D5E24F26 -328.71 10.07 -9.7 -1.13 0
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317851 126646481 1 ClNPF3O3H32C33 ABCD3E3F32G33 -248.54 4.7 -9.13 -0.94 0
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317853 126646501 1 ClNSF4O4C30H34 ABCD4E4F30G34 -340.31 8.76 -8.9 -0.78 0
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317854 126646504 1 ClSN2F4O4C29H31 ABC2D4E4F29G31 -333.7 8.56 -9.25 -1.22 0
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317855 126646509 1 SF3O5N6H25C29 AB3C5D6E25F29 -216.96 2.6 -8.52 -1.23 0
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317856 126646511 1 NSF4O5C28H29 ABC4D5E28F29 -349.54 4.31 -9.33 -1.06 0
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317857 126646518 1 NSO4F5C27H28 ABC4D5E27F28 -360.51 8.61 -9.31 -0.93 0
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317858 126646519 1 SN2O4F5C28H29 AB2C4D5E28F29 -360.71 7.18 -9.51 -1.08 0
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317860 126646533 1 NSF3O4C28H32 ABC3D4E28F32 -271.81 7.52 -9.12 -0.87 0
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317861 126646534 1 ClNSF4O5C28H28 ABCD4E5F28G28 -374.93 4.39 -9.5 -1.03 0
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317862 126646538 1 ClSN2F4O4C31H35 ABC2D4E4F31G35 -335.58 5.2 -9.15 -0.9 0
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317863 126646562 1 NaSO2C8H15 ABC2D8E15 -156.13 7.65 -8.81 0.41 0
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317864 126646572 1 ClFNO8H25C27 ABCD8E25F27 -327.7 5.46 -9.4 -1.43 0
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317865 126646577 1 SF3O5N6H29C31 AB3C5D6E29F31 -234.75 2.48 -9.0 -1.07 0
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317866 126646616 1 SN2F3O3C24H31 AB2C3D3E24F31 -255.19 6.85 -9.16 -0.46 0
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317867 126646643 2 O3C50H76 A3B50C76 -242.44 4.89 -7.65 -0.56 0
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317868 126646645 1 NSO4F6C28H29 ABC4D6E28F29 -421.54 6.64 -9.26 -1.02 0
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317869 126646648 1 NSF4O4C34H35 ABC4D4E34F35 -295.46 6.63 -9.24 -0.7 0
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317871 126646678 1 O3F5N6H9C17 A3B5C6D9E17 -190.28 7.56 -9.91 -1.48 0
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317872 126646689 1 NO3F5C30H30 AB3C5D30E30 -325.16 5.69 -9.27 -0.93 0
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317873 126646698 1 NF3O3H26C27 AB3C3D26E27 -219.84 7.17 -9.17 -0.64 0
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317875 126646733 1 ClNO7H15C19 ABC7D15E19 -86.12 6.89 0.0 0.0 0
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317877 126646792 1 FO6N8C38H45 AB6C8D38E45 -146.8 10.05 -8.81 -1.29 0
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317879 126646799 1 N5O5C31H31 A5B5C31D31 -50.64 3.84 -9.38 -1.51 0
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317880 126647089 1 ISN3H18C19 ABC3D18E19 92.95 2.79 -8.64 -1.05 0
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317881 126647115 1 O7N8C49H52 A7B8C49D52 -162.64 4.69 -8.65 -0.8 0
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317882 126647119 1 SN2F5C17H17 AB2C5D17E17 -219.93 1.1 -8.42 -0.57 -1
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317883 126647121 1 O5N6C27H31 A5B6C27D31 -19.49 39.29 0.0 0.0 0
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317884 126647134 1 O5C22H26 A5B22C26 -199.56 3.78 -9.38 -0.1 0
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317885 126647166 1 O5N7C39H41 A5B7C39D41 -44.19 10.06 -8.73 -0.99 0
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317886 126647194 2 O3N4C24H25 A3B4C24D25 -59.49 2.48 -8.75 -0.96 0
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317887 126647195 1 INO5H20C21 ABC5D20E21 -162.2 3.64 -9.27 -1.16 0
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317888 126647196 1 INO5H20C21 ABC5D20E21 -160.01 7.61 -9.4 -1.57 0
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317890 126647208 1 INO5C24H26 ABC5D24E26 -171.95 5.18 -9.33 -1.2 0
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317891 126647218 1 Cl2O6N8C53H54 A2B6C8D53E54 -106.39 6.19 -8.93 -1.29 0
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317892 126647222 1 N5O5C29H35 A5B5C29D35 -102.04 7.22 -9.27 -0.88 0
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317893 126647224 1 ClO3N7C33H40 AB3C7D33E40 -87.0 2.7 -8.54 -0.44 0
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317896 126647231 1 SO2N3C8H9 AB2C3D8E9 -61.65 7.86 -9.59 -1.33 0
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317897 126647232 1 FCl2O6N8C47H49 AB2C6D8E47F49 -178.72 8.81 -8.99 -1.27 0
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317898 126647233 1 FO6N8C47H47 AB6C8D47E47 -92.62 4.27 -8.72 -1.21 0
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317899 126647236 1 FO6N8C47H47 AB6C8D47E47 -88.39 3.74 -8.91 -1.16 0
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317900 126647274 1 O3C20H32 A3B20C32 -116.62 1.57 -8.99 -0.31 0
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317901 126647280 1 ClSN2F4H9C10 ABC2D4E9F10 -180.14 5.82 -9.17 -0.88 0
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317903 126647349 1 SO2N7C15H19 AB2C7D15E19 15.62 11.72 -8.17 -0.16 0
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317904 126647350 1 SO2N6C18H18 AB2C6D18E18 43.82 6.29 -8.51 -1.32 0
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317905 126647491 1 BrOF3N7H21C27 ABC3D7E21F27 -25.25 7.76 -9.03 -1.23 0
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317906 126647539 2 ClNC3H7 ABC3D7 4.2 3.99 -9.66 -0.28 0
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317907 126647546 1 O5C43H64 A5B43C64 -278.78 8.2 -8.75 -0.98 0
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317909 126647587 1 FNPO4C15H23 ABCD4E15F23 -277.22 5.96 -9.23 -0.11 0
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317910 126647588 1 FNPO4C13H19 ABCD4E13F19 -273.52 3.92 -9.42 -0.3 0
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317911 126647590 1 FNPO4C15H23 ABCD4E15F23 -279.38 3.26 -9.07 -0.06 1
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317912 126647594 1 NPO3C9H19 ABC3D9E19 -167.19 2.64 0.0 0.0 0
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317913 126647598 1 BrClFPN3O9C21H25 ABCDE3F9G21H25 -476.83 5.17 -10.01 -1.48 0
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317914 126647599 1 O3N4H12C13 A3B4C12D13 4.72 5.93 -9.53 -1.29 0
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317918 126647641 1 BrClPN3O8C15H21 ABCD3E8F15G21 -363.63 8.11 0.0 0.0 0