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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391815 135009803 1 CPPdH5 ABCD5 45.68 1.2 -7.39 2.41 1
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391816 135009821 1 BrN3O4C16H17 AB3C4D16E17 -71.4 2.33 0.0 0.0 0
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391817 135009826 1 N2P2O7C19H34 A2B2C7D19E34 -417.79 4.76 -9.54 -0.31 0
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391818 135009836 1 P2N3O6C19H43 A2B3C6D19E43 -403.37 3.18 -8.45 0.83 0
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391819 135009854 1 LiNF3H5C10 ABC3D5E10 -84.57 9.73 -7.54 -0.41 0
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391820 135009856 1 NF3O4H12C14 AB3C4D12E14 -265.68 3.33 -9.94 -1.54 0
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391821 135009891 1 NSO4C20H21 ABC4D20E21 -91.75 7.88 -9.14 -0.6 0
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391822 135009934 1 N5O8H33C40 A5B8C33D40 -155.65 4.99 -9.3 -0.88 0
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391823 135009946 1 NO2C7H13 AB2C7D13 -98.23 2.72 -10.19 0.46 0
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391824 135009953 1 BrN3O3H16C20 AB3C3D16E20 1.87 2.79 -8.74 -0.76 1
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391825 135009954 1 BrN3O3H17C20 AB3C3D17E20 0.78 4.36 0.0 0.0 0
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391826 135009992 1 NSO5C17H19 ABC5D17E19 -116.6 4.56 -8.38 0.01 0
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391827 135009996 1 O4C29H40 A4B29C40 -127.1 4.86 -8.99 -0.25 0
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391828 135010006 1 NOH27C29 ABC27D29 21.01 4.58 -9.21 -0.14 0
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391829 135010008 1 FN4O4C25H33 AB4C4D25E33 -110.35 5.04 -9.26 -1.15 0
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391830 135010017 1 O5N6C22H32 A5B6C22D32 -214.63 8.75 -9.71 -0.03 0
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391831 135010071 1 FO3C12H17 AB3C12D17 -170.51 2.19 -10.33 0.0 0
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391832 135010081 1 SN2O5C11H14 AB2C5D11E14 -143.9 4.86 -8.94 -0.5 0
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391833 135010098 1 O4H18C19 A4B18C19 -121.21 3.72 -9.49 -0.3 0
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391835 135010115 1 NO2H17C22 AB2C17D22 5.43 3.52 -8.31 -0.38 0
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391836 135010117 1 NO2C22H29 AB2C22D29 -68.0 5.07 -8.4 -0.13 0
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391837 135010120 1 O3N4H14C18 A3B4C14D18 18.95 4.14 -9.86 -2.06 0
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391838 135010125 1 PtP2H6 AB2C6 132.42 3.47 -9.94 -4.12 0
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391839 135010126 1 PdC2O2H6 AB2C2D6 -26.76 5.3 -8.24 0.88 0
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391840 135010127 1 BrNOH10C13 ABCD10E13 3.17 2.39 -8.17 -0.68 0
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391841 135010128 1 NF3O4C17H18 AB3C4D17E18 -305.37 7.14 -9.37 -0.48 0
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391842 135010132 1 NO2C7H11 AB2C7D11 -89.78 0.95 -9.18 -0.45 0
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391843 135010139 1 NO5Si6C31H49 AB5C6D31E49 -465.54 2.55 -8.54 0.16 0
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391844 135010143 2 O2Si2C11H14 A2B2C11D14 -299.37 3.03 -9.19 -1.04 0
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391845 135010209 1 NC20H23 AB20C23 48.26 1.56 -8.75 0.38 0
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391846 135010214 1 N2O3C24H28 A2B3C24D28 -66.84 5.94 -9.35 -0.34 0
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391848 135010236 1 IO2C7H11 AB2C7D11 -59.77 3.09 -9.76 -0.99 0
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391849 135010239 2 O2H12C13 A2B12C13 -29.85 0.73 -9.19 -1.57 0
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391850 135010251 1 NSiO2C26H45 ABC2D26E45 -139.88 4.16 -8.66 0.77 0
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391851 135010252 1 NSi2O4C24H41 AB2C4D24E41 -213.83 4.85 -8.76 -0.8 1
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391852 135010253 1 NSi2O4C24H40 AB2C4D24E40 -189.8 4.72 0.0 0.0 0
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391853 135010258 1 OSiC15H18 ABC15D18 -42.24 2.15 -8.51 -0.19 0
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391854 135010259 1 BO3C15H25 AB3C15D25 -226.08 4.02 -9.04 0.84 0
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391855 135010266 1 F3N4O4H19C21 A3B4C4D19E21 -214.42 5.44 -9.39 -0.87 0
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391856 135010269 1 SN2O2C11H14 AB2C2D11E14 -47.44 3.85 -9.01 -0.68 0
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391857 135010313 1 SiO5C28H38 AB5C28D38 -205.94 4.69 -8.94 0.19 -4
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391859 135010328 1 F3N4O6C16H23 A3B4C6D16E23 -392.46 5.26 -10.31 -0.53 0
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391860 135010330 1 SiS2O3C25H42 AB2C3D25E42 -171.35 2.96 -8.76 0.15 0
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391861 135010335 1 SN2O2H14C15 AB2C2D14E15 -9.82 3.57 -9.02 -0.72 0
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391862 135010338 2 NOC10H11 ABC10D11 2.61 3.73 -8.68 -0.21 0
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391863 135010339 1 ON3H17C19 AB3C17D19 56.65 2.22 -8.34 -0.44 0
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391865 135010357 12 H3C4 A3B4 137.58 1.67 -8.98 0.23 0
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391866 135010368 1 NH9C10 AB9C10 78.18 3.12 -8.59 -0.53 0
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391867 135010388 1 SiO2C17H32 AB2C17D32 -151.23 1.99 -9.23 0.64 0
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391868 135010390 1 OSiC15H28 ABC15D28 -88.79 3.02 -8.8 1.14 0