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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214800 85083665 1 NSiO8C32H57 ABC8D32E57 -455.53 2.11 -8.74 -0.14 0
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214801 85083666 1 SCl3N4O5H25C26 AB3C4D5E25F26 -153.74 6.54 -8.58 -1.54 0
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214802 85083668 1 P3N6O13C17H23 A3B6C13D17E23 -662.26 6.21 -8.6 -0.66 0
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214803 85083670 1 O13C30H44 A13B30C44 -577.56 6.38 -9.03 -0.34 0
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214804 85083671 1 N4O7C34H36 A4B7C34D36 -195.05 8.44 -8.7 -1.06 0
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214805 85083672 1 O7N8C29H40 A7B8C29D40 -299.85 1.86 -8.93 0.08 0
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214806 85083673 1 O11C32H52 A11B32C52 -554.31 2.62 -9.63 0.68 0
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214807 85083675 1 S2O7C33H40 A2B7C33D40 -257.08 9.26 -9.44 -0.72 1
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214808 85083678 1 PSiO2C35H66 ABC2D35E66 -205.07 11.9 0.0 0.0 0
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214809 85083679 1 O7N8C29H42 A7B8C29D42 -293.21 5.8 -9.45 -0.24 0
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214810 85083680 1 FO3N8C33H39 AB3C8D33E39 -98.92 8.33 -8.19 -0.47 0
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214811 85083682 1 O4N6C35H46 A4B6C35D46 -141.28 3.27 -9.05 -0.61 0
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214812 85083684 1 PSiO8C31H55 ABC8D31E55 -488.36 3.33 -8.69 0.13 0
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214813 85083685 1 SO4N6C32H50 AB4C6D32E50 -179.89 5.12 -8.98 0.04 0
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214814 85083686 1 ClO5N6C31H47 AB5C6D31E47 -254.71 6.34 -8.78 -0.28 0
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214815 85083687 1 O5N6C31H46 A5B6C31D46 -213.96 3.27 -9.0 -0.05 0
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214816 85083688 1 INO4C30H50 ABC4D30E50 -114.2 16.27 -8.54 -0.28 1
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214817 85083693 1 OS2N3H22C25 AB2C3D22E25 81.4 3.31 0.0 0.0 0
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214818 85083694 1 BBrN3O5C30H43 ABC3D5E30F43 -299.31 6.38 -9.45 0.26 0
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214819 85083695 1 N6O14C23H32 A6B14C23D32 -474.29 8.62 -9.52 -0.18 0
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214820 85083696 2 FO3N4C14H17 AB3C4D14E17 -298.64 3.98 -8.95 -0.58 0
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214821 85083697 11 OC3H4 AB3C4 -506.47 2.85 -9.86 -0.33 0
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214822 85083698 1 N8O9C26H48 A8B9C26D48 -444.92 6.84 -9.51 -0.41 0
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214823 85083700 1 O4N6C35H48 A4B6C35D48 -143.32 3.55 -9.18 0.25 0
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214824 85083702 1 Si2O5C36H48 A2B5C36D48 -249.43 3.38 -8.68 -0.69 0
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214825 85083704 1 ClSN2O9C29H29 ABC2D9E29F29 -329.57 7.78 -8.23 -1.33 0
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214826 85083705 1 CuINOSiZnC23H27 ABCDEFG23H27 142.56 3.33 -7.51 -1.44 0
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214827 85083706 1 PF2O6N7C27H34 AB2C6D7E27F34 -339.1 1.35 -9.19 -0.92 0
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214828 85083707 1 N7O8C29H43 A7B8C29D43 -335.98 8.94 -9.06 -0.15 0
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214829 85083710 1 N4O4F7C28H29 A4B4C7D28E29 -500.07 5.2 -9.53 -1.38 0
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214830 85083714 1 PN2O7C32H63 AB2C7D32E63 -454.31 11.99 -9.64 0.03 0
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214831 85083717 1 O4C41H62 A4B41C62 -175.6 4.5 -9.52 -0.21 1
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214832 85083719 1 PSiO2C36H60 ABC2D36E60 -177.53 13.79 0.0 0.0 0
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214833 85083720 1 O7N9C28H45 A7B9C28D45 -310.76 9.14 -8.78 -0.1 0
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214834 85083721 1 F2N3O3C37H47 A2B3C3D37E47 -190.87 3.17 -9.47 -0.48 0
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214835 85083722 1 N5O5C35H49 A5B5C35D49 -205.64 5.83 -9.41 0.09 0
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214836 85083723 1 ClSN3O6H30C32 ABC3D6E30F32 -165.56 5.97 -8.8 -1.29 0
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214838 85083725 1 O15C29H32 A15B29C32 -600.37 5.63 -9.63 -1.14 0
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214839 85083727 2 SN2O4C14H18 AB2C4D14E18 -274.68 3.24 -9.11 -0.89 0
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214840 85083728 1 N6O6C33H44 A6B6C33D44 -248.72 6.03 -9.08 -0.09 0
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214841 85083729 4 O2C9H15 A2B9C15 -431.28 6.65 -9.04 1.17 0
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214842 85083731 1 SSiO4C37H52 ABC4D37E52 -186.67 6.38 -8.4 -0.27 0
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214843 85083733 1 SN3O8C31H47 AB3C8D31E47 -334.58 5.84 -8.84 -1.73 -1
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214844 85083734 1 FNiN3O4H31C34 ABC3D4E31F34 -32.95 5.82 0.0 0.0 0
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214845 85083735 1 FN3O4H32C34 AB3C4D32E34 -106.37 7.67 -8.85 -0.86 0
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214846 85083736 1 BrO4N5C31H36 AB4C5D31E36 -35.83 7.55 -8.25 -0.72 0
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214847 85083737 2 O4C19H19 A4B19C19 -179.15 4.88 -8.43 -0.78 0
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214848 85083739 1 SN2O5C37H38 AB2C5D37E38 -88.84 3.1 -8.5 -0.2 0
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214849 85083740 1 O7C37H66 A7B37C66 -419.31 2.84 -9.26 -0.32 0
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214850 85083742 1 Cl2N4O4C33H36 A2B4C4D33E36 -38.19 7.86 -9.11 -1.08 0