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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396737 135029116 1 NOC18H21 ABC18D21 -5.53 1.56 -8.78 0.12 0
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396738 135029117 1 NOC19H23 ABC19D23 -17.82 2.47 -9.04 0.2 0
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396739 135029118 1 NO2C16H21 AB2C16D21 -82.36 2.07 -8.22 0.46 0
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396740 135029119 2 NC12H12 AB12C12 104.81 0.81 -8.03 0.27 0
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396741 135029120 1 NOC18H19 ABC18D19 10.95 2.77 -8.4 0.06 1
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396742 135029121 1 N2C23H29 A2B23C29 41.42 1.85 0.0 0.0 0
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396743 135029126 1 ClO3H11C16 AB3C11D16 -57.32 5.57 -9.62 -1.34 0
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396744 135029128 1 SiO3C16H18 AB3C16D18 -96.31 2.78 -9.81 -0.66 0
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396745 135029139 1 SH22C27 AB22C27 99.03 1.76 -8.74 -0.27 0
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396746 135029140 1 NO2F3H16C19 AB2C3D16E19 -200.28 6.73 -9.49 -1.24 0
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396747 135029141 1 FNO2H16C18 ABC2D16E18 -84.52 4.38 -9.0 -0.95 0
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396748 135029142 1 NC21H21 AB21C21 74.88 2.13 -9.28 -0.07 0
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396749 135029143 1 NH16C21 AB16C21 142.23 4.24 0.0 0.0 0
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396750 135029144 1 NC21H21 AB21C21 65.02 2.79 -9.26 -0.27 0
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396751 135029146 1 O8C29H30 A8B29C30 -280.99 5.46 -9.55 -0.96 0
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396752 135029147 1 F3O3C16H19 A3B3C16D19 -284.53 3.51 -9.67 -0.55 0
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396753 135029148 3 NOC4H5 ABC4D5 -74.14 3.01 -9.11 -0.97 0
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396754 135029151 1 ClS2N3H14C18 AB2C3D14E18 107.84 5.41 -8.76 -1.22 0
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396755 135029152 1 ClOSH7C11 ABCD7E11 3.12 3.62 -9.17 -1.33 0
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396756 135029153 1 O4C19H20 A4B19C20 -121.99 4.45 -8.28 -0.47 0
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396757 135029154 1 ClN4O4H9C19 AB4C4D9E19 111.23 5.91 -10.19 -1.96 -3
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396758 135029156 1 PN2C9O11H12 AB2C9D11E12 -394.85 3.55 0.0 0.0 0
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396759 135029157 1 PN2C9O11H15 AB2C9D11E15 -556.95 3.65 -10.25 -0.75 1
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396760 135029158 1 O2C5H9 A2B5C9 -80.58 1.49 0.0 0.0 0
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396761 135029160 1 N2O2H16C21 A2B2C16D21 18.13 2.43 -9.14 -0.89 0
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396762 135029161 2 O2C5H9 A2B5C9 -187.3 5.15 -9.91 0.94 0
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396763 135029163 1 NO3H13C19 AB3C13D19 -4.55 7.07 -8.84 -1.1 0
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396764 135029164 1 ClON2H9C15 ABC2D9E15 22.49 4.69 -9.11 -1.29 0
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396765 135029165 1 NOC8H13 ABC8D13 -38.8 2.55 -9.41 0.54 1
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396766 135029166 1 O6H23C28 A6B23C28 -161.91 1.72 0.0 0.0 0
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396767 135029170 1 N2O2H12C15 A2B2C12D15 12.24 4.75 -9.06 -0.81 0
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396768 135029171 1 OH12C16 AB12C16 107.2 4.46 -9.04 -0.77 0
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396769 135029172 1 O5C22H28 A5B22C28 -195.98 4.87 -9.84 -0.67 0
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396770 135029173 1 NO6C15H17 AB6C15D17 -151.12 4.06 -9.8 -0.89 0
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396771 135029176 6 H6C7 A6B7 91.7 0.82 -8.16 -0.66 0
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396772 135029179 1 NO3H19C29 AB3C19D29 -6.36 2.53 -8.8 -0.83 0
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396773 135029180 1 NO4H19C29 AB4C19D29 -38.91 3.18 -8.59 -0.76 0
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396774 135029181 1 NSO3H15C26 ABC3D15E26 4.34 1.72 -8.75 -0.91 0
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396775 135029182 1 SiO2C46H46 AB2C46D46 -31.59 1.28 -8.23 -1.1 0
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396776 135029183 6 H9C13 A9B13 287.13 0.95 -8.31 -0.95 0
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396777 135029186 1 BrSC8H11 ABC8D11 0.27 1.51 -9.08 -0.3 0
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396778 135029192 1 SN3O4C25H31 AB3C4D25E31 -108.47 3.38 -7.94 -0.59 0
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396779 135029205 1 NO3C22H33 AB3C22D33 -137.03 4.0 -9.58 -0.07 0
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396780 135029207 1 O4H14C17 A4B14C17 -89.97 6.37 -9.29 -1.07 0
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396781 135029211 2 OSH6C9 ABC6D9 7.72 3.99 -8.62 -1.23 0
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396782 135029213 1 BrF2O3H7C11 AB2C3D7E11 -170.23 0.48 -9.78 -1.37 0
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396783 135029214 1 BrSF2O4C13H13 ABC2D4E13F13 -251.66 1.81 -9.42 -0.86 0
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396784 135029218 1 OSF3H9C16 ABC3D9E16 -132.22 3.94 -9.18 -1.26 0
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396785 135029219 1 ON2H12C18 AB2C12D18 50.95 1.56 -8.68 -1.04 0
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396786 135029222 1 FO3H15C18 AB3C15D18 -106.21 2.1 -9.3 -0.65 0
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396787 135029223 1 FO3H13C17 AB3C13D17 -101.46 1.48 -9.21 -0.63 0
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396788 135029225 1 H21C23 A21B23 98.15 0.46 0.0 0.0 1
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396789 135029226 1 H21C23 A21B23 98.22 0.47 0.0 0.0 1
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396790 135029227 1 NH23C28 AB23C28 156.06 1.7 -8.27 -0.37 0
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396791 135029228 1 NO2H22C28 AB2C22D28 131.99 1.78 0.0 0.0 0
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396792 135029229 1 O2C17H18 A2B17C18 -49.31 3.94 -8.74 -0.03 0
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396793 135029231 1 BrOC13H13 ABC13D13 25.02 3.77 -9.81 -1.04 0
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396794 135029232 1 N2H12C15 A2B12C15 95.13 2.81 -7.8 -0.68 1
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396795 135029233 1 N2H13C15 A2B13C15 82.8 1.41 0.0 0.0 0
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396796 135029234 1 O2N3H27C29 A2B3C27D29 0.03 3.08 -8.16 -0.85 0
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396797 135029235 1 ClNOH24C30 ABCD24E30 52.91 0.79 -8.44 -0.12 0
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396798 135029236 1 NOC29H31 ABC29D31 11.77 1.51 -8.31 0.05 0
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396800 135029239 1 SiO2C15H22 AB2C15D22 -107.5 1.35 -8.71 -0.42 0
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396801 135029240 1 OH18C22 AB18C22 34.37 1.84 -8.84 -0.42 1
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396802 135029241 1 CuOC5H8 ABC5D8 33.68 0.76 0.0 0.0 0
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396803 135029242 1 NO2H11C15 AB2C11D15 4.98 3.95 -9.79 -1.18 0
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396805 135029246 1 O3C17H26 A3B17C26 -130.75 4.73 -9.98 -0.43 0
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396806 135029251 1 PN6O7C8H15 AB6C7D8E15 -304.38 3.48 -9.81 -0.22 1
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396807 135029255 1 NO3C7H14 AB3C7D14 -116.02 3.87 0.0 0.0 0
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396808 135029257 1 O5H12C17 A5B12C17 -77.48 5.7 -9.77 -0.93 0
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396809 135029260 1 O3H16C22 A3B16C22 -25.72 4.95 -9.34 -1.02 0
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396810 135029261 1 BrO3H11C16 AB3C11D16 -45.19 5.58 -9.68 -1.35 0
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396811 135029263 1 SO3H12C18 AB3C12D18 -31.06 4.02 -8.71 -1.25 0
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396812 135029266 1 PO5C13H19 AB5C13D19 -268.16 2.15 -9.29 0.03 0
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396813 135029267 1 NSBr2O2C16H19 ABC2D2E16F19 -80.45 7.56 -9.41 -0.6 0