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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232819 87577127 1 NSSiCl3C18H34 ABCD3E18F34 -163.9 2.7 -9.47 -0.65 0
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232820 87577128 2 SO3N5C25H26 AB3C5D25E26 39.73 8.68 -8.39 -1.36 0
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232821 87577129 1 ClS3O5N8C17H17 AB3C5D8E17F17 -24.46 7.57 -8.7 -1.1 0
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232823 87577132 1 NO2F3C10H10 AB2C3D10E10 -205.19 2.68 -10.01 -0.87 0
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232824 87577135 1 NSO4C10H19 ABC4D10E19 -197.4 5.63 -8.68 0.22 0
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232825 87577142 3 O2H6C7 A2B6C7 -33.81 7.07 -9.18 -1.32 0
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232826 87577143 1 NSO3H19C24 ABC3D19E24 -44.09 5.38 -9.5 -0.99 0
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232827 87577154 1 N3O5C15H17 A3B5C15D17 -126.62 11.28 -9.11 -1.18 0
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232828 87577156 1 FOSCl2N3H10C13 ABCD2E3F10G13 -43.92 6.65 -8.77 -0.93 0
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232829 87577157 2 O5C8H8 A5B8C8 -367.02 5.79 -11.22 -1.32 0
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232830 87577158 1 BrPN2O7H26C27 ABC2D7E26F27 -265.63 6.65 -9.52 -1.38 0
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232831 87577159 1 SN3O4H25C27 AB3C4D25E27 -72.89 7.95 -8.64 -1.33 0
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232832 87577161 1 PSiN5O7C27H38 ABC5D7E27F38 -309.56 5.5 -9.08 -0.9 0
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232834 87577171 1 O2N3C14H25 A2B3C14D25 -77.96 1.86 -8.79 -0.19 0
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232835 87577173 1 NOSC4H9 ABCD4E9 -0.84 6.51 -8.69 0.61 0
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232836 87577177 2 OF3N5H23C25 AB3C5D23E25 -116.34 5.02 -8.29 -1.01 0
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232837 87577178 1 NSeH5C9 ABC5D9 69.46 4.4 -8.85 -0.91 0
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232838 87577184 1 SO6C11H20 AB6C11D20 -259.4 2.2 -8.96 -1.07 0
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232839 87577185 1 SO6C11H22 AB6C11D22 -286.27 2.06 -9.04 0.45 0
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232840 87577188 1 BrClN2O3C26H30 ABC2D3E26F30 -129.02 2.31 -9.07 -2.06 0
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232841 87577195 1 SN2O5F6C20H24 AB2C5D6E20F24 -510.26 12.24 -9.35 -1.2 0
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232842 87577196 1 ON3C24H29 AB3C24D29 -11.28 3.56 -8.17 -0.02 0
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232843 87577197 1 FN3O3H22C23 AB3C3D22E23 -84.08 5.63 -9.33 -1.04 0
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232844 87577204 1 I2N2O2C13H22 A2B2C2D13E22 -78.91 3.08 -9.4 -1.02 -1
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232845 87577218 1 SO3F4N4H17C22 AB3C4D4E17F22 -173.19 10.75 0.0 0.0 0
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232847 87577222 1 N2O3H24C26 A2B3C24D26 -62.04 5.25 -8.56 -0.62 0
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232848 87577225 1 O6C13H24 A6B13C24 -305.09 1.69 -10.58 0.06 0
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232849 87577229 1 ClN3O6C23H30 AB3C6D23E30 -221.8 8.2 -10.19 -0.99 0
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232850 87577232 1 BrO2N4H7C8 AB2C4D7E8 -42.06 2.25 -10.36 -1.68 0
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232851 87577234 2 O2S2C8H9 A2B2C8D9 -129.43 0.16 -8.68 -1.64 0
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232852 87577235 1 OSN2C27H32 ABC2D27E32 6.23 4.94 -7.68 -0.41 0
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232853 87577238 1 ClS2F5N5O12C36H37 AB2C5D5E12F36G37 -605.32 7.61 -8.77 -1.52 0
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232854 87577249 1 NP2H29C35 AB2C29D35 126.39 3.1 -8.1 0.22 0
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232855 87577251 1 ClO3N4H15C16 AB3C4D15E16 -47.57 6.44 -8.8 -0.8 0
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232856 87577255 1 NO4C15H29 AB4C15D29 -222.34 3.87 -9.65 0.35 0
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232857 87577257 1 Cl2N2O3H14C15 A2B2C3D14E15 -37.22 4.92 -9.07 -1.63 0
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232858 87577261 1 OCl2N6C16H16 AB2C6D16E16 27.94 5.91 -8.91 -0.72 0
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232859 87577264 1 SO4C9H14 AB4C9D14 -172.97 1.92 -9.22 -0.7 0
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232860 87577267 1 ClOS2N4C14H15 ABC2D4E14F15 32.67 5.27 -8.69 -0.32 0
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232861 87577272 1 ClS2N3F5O11C32H37 AB2C3D5E11F32G37 -564.57 9.7 -9.06 -1.48 0
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232862 87577278 2 N2O3C16H20 A2B3C16D20 -190.45 10.68 -9.22 -0.22 0
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232863 87577281 2 SN3O6H27C28 AB3C6D27E28 -382.47 12.91 -8.33 -1.24 0
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232864 87577297 2 OC5H7 AB5C7 -62.84 5.59 -9.42 -0.2 0
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232865 87577302 2 NO2C6H12 AB2C6D12 -215.63 1.98 -9.71 0.36 0
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232866 87577304 1 N3O4H17C21 A3B4C17D21 -65.72 6.32 -8.64 -1.49 0
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232867 87577310 1 SN2O5F7C21H21 AB2C5D7E21F21 -533.94 5.82 -9.47 -1.01 0
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232868 87577313 1 F3N3O3C19H22 A3B3C3D19E22 -214.93 7.91 -9.58 -0.63 0
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232869 87577317 1 NO6C8H19 AB6C8D19 -271.57 2.81 -9.83 0.0 0
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232870 87577318 1 N3O5H17C22 A3B5C17D22 -24.12 7.26 -9.57 -1.39 0
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232871 87577325 1 SN3O6C22H23 AB3C6D22E23 -202.08 10.31 -8.93 -1.31 0