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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179835 76539625 1 O3C19H24 A3B19C24 -136.23 5.58 -10.06 -0.9 0
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179836 76539626 1 O3C19H26 A3B19C26 -160.09 6.98 -9.98 0.36 0
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179837 76539708 1 SBr2H6C10 AB2C6D10 60.66 2.45 -9.1 -0.66 0
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179838 76540621 1 PtH14C15 AB14C15 124.82 2.43 -9.36 -1.38 0
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179839 76540686 1 FS2N3O3C25H28 AB2C3D3E25F28 -71.76 7.58 -8.14 -1.3 -2
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179840 76540687 1 FS2N3O3C25H26 AB2C3D3E25F26 -76.99 6.73 -8.83 -0.84 0
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179841 76540927 1 BrON7H14C18 ABC7D14E18 127.56 5.04 -9.36 -2.52 1
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179842 76541118 1 ClNO4H17C22 ABC4D17E22 -83.04 4.49 0.0 0.0 0
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179843 76541119 1 ClNSC5H8 ABCD5E8 -14.81 4.03 -9.84 -0.81 0
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179844 76541210 1 ClSN2O8C37H47 ABC2D8E37F47 -309.49 5.65 -8.99 -0.4 0
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179845 76541211 1 ClS2N3O8C42H59 AB2C3D8E42F59 -315.29 4.42 0.0 0.0 0
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179846 76541212 1 ClSN3O8C42H58 ABC3D8E42F58 -319.66 2.63 -8.94 -0.35 0
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179847 76541352 2 O4C12H23 A4B12C23 -435.46 6.47 -9.67 -0.14 0
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179848 76541937 1 P2S2O5C15H28 A2B2C5D15E28 -380.47 3.91 -8.93 -0.54 -1
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179849 76542297 1 Cl2N2O3C17H23 A2B2C3D17E23 -112.64 5.12 0.0 0.0 0
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179850 76542298 1 Cl2N2O3C17H24 A2B2C3D17E24 -141.74 8.71 -9.34 -0.51 -1
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179851 76542299 1 FN4O5C22H30 AB4C5D22E30 -190.83 11.01 0.0 0.0 0
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179852 76543100 2 FOC19H24 ABC19D24 -149.69 1.2 -8.2 -0.66 0
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179853 76543260 1 Cl2F3N3O5C26H28 A2B3C3D5E26F28 -287.87 2.04 -8.35 -1.45 0
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179854 76543377 1 NO4F6H21C22 AB4C6D21E22 -444.09 1.43 -9.45 -1.64 0
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179855 76543810 1 N2O5C12H18 A2B5C12D18 -196.81 3.82 -9.22 -1.13 0
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179856 76543876 1 O3N9H11C14 A3B9C11D14 108.89 6.25 -9.53 -1.97 1
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179857 76544577 1 O2N6C17H29 A2B6C17D29 -48.44 4.02 0.0 0.0 0
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179858 76544876 1 NSC13H15 ABC13D15 56.46 5.21 -8.9 -0.25 -1
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179859 76545104 1 ZnO2C5H7 AB2C5D7 -29.54 1.88 0.0 0.0 0
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179860 76545105 4 O2C7H12 A2B7C12 -436.92 2.92 -10.73 -0.15 0
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179861 76545403 1 NPSO8C13H16 ABCD8E13F16 -370.59 4.23 -8.98 -1.16 0
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179862 76545915 1 N4H12C13 A4B12C13 121.86 2.02 -9.15 -0.73 1
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179863 76546468 1 KN4O4C34H34 AB4C4D34E34 -32.47 6.54 0.0 0.0 0
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179864 76547503 2 ClFON2H11C13 ABCD2E11F13 -31.99 4.5 -9.59 -1.55 0
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179865 76547504 2 FON3C19H25 ABC3D19E25 -81.16 6.28 -8.5 -0.4 0
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179866 76547505 1 F2O2N4C33H34 A2B2C4D33E34 -39.24 2.18 -9.28 -0.7 0
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179867 76547506 1 ClNO3C6H14 ABC3D6E14 -162.92 6.27 -10.6 0.21 0
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179868 76547621 1 ClS2O3N6H25C27 AB2C3D6E25F27 28.65 2.27 -8.67 -1.05 0
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179869 76547837 1 ClO4N5C21H32 AB4C5D21E32 -200.61 3.41 -8.83 -0.51 0
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179870 76548128 1 ClN3O3H10C12 AB3C3D10E12 -33.97 3.66 -8.99 -2.33 0
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179871 76548436 1 C7H13 A7B13 25.9 0.5 0.0 0.0 0
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179872 76548505 1 O2N3C23H29 A2B3C23D29 -58.76 7.02 -8.29 -0.15 0
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179873 76548506 1 NO3C5H8 AB3C5D8 -105.82 2.39 0.0 0.0 0
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179874 76548776 1 NOC10H13 ABC10D13 0.15 3.26 -8.32 0.47 -2
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179875 76548888 1 NS2C5H7O8 AB2C5D7E8 -329.63 4.17 -10.27 -1.6 0
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179876 76548889 1 NS2C5O8H9 AB2C5D8E9 -342.03 3.74 -9.84 -0.7 0
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179877 76549004 2 ON4C11H13 AB4C11D13 4.78 5.19 -9.06 -1.05 0
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179878 76549076 2 ON3C11H13 AB3C11D13 -16.99 6.06 -8.42 -0.74 -1
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179879 76549417 1 OSnC8H18 ABC8D18 72.7 11.23 -4.61 -3.24 1
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179880 76549418 1 NaSBr2N5O7C18H19 ABC2D5E7F18G19 -327.67 12.25 0.0 0.0 0
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179881 76549419 1 NO2C14H17 AB2C14D17 -60.05 5.78 -9.7 0.03 0
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179882 76549420 1 O5N7H27C37 A5B7C27D37 38.24 7.28 -8.79 -1.71 0
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179883 76549421 1 O5N7H29C38 A5B7C29D38 21.92 5.44 -8.86 -1.95 0
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179884 76549422 1 O3C12H22 A3B12C22 -162.03 0.71 -10.08 0.1 0