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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405117 135072641 1 NO5C15H25 AB5C15D25 -216.28 1.45 -9.13 0.43 0
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405118 135072642 1 FOSH11C14 ABCD11E14 -40.14 1.74 -9.07 -0.44 0
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405119 135072643 1 BrNO2C15H20 ABC2D15E20 -68.1 3.45 -9.81 -1.02 0
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405120 135072644 1 NOPCl2H16C20 ABCD2E16F20 -12.21 2.52 -9.6 -0.65 0
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405121 135072646 1 O2N3H21C24 A2B3C21D24 60.04 2.0 -9.02 -0.6 0
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405122 135072647 1 N2O3C12H14 A2B3C12D14 -42.44 1.69 -8.42 -0.72 0
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405123 135072648 1 NF3O4C10H12 AB3C4D10E12 -295.76 11.31 -9.86 -1.08 0
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405124 135072649 1 ON3H11C15 AB3C11D15 110.7 4.99 -9.41 -1.0 0
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405125 135072650 1 ClOSH11C16 ABCD11E16 33.24 4.21 -8.83 -1.61 0
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405126 135072652 2 NC11H12 AB11C12 77.05 1.87 -8.41 -0.3 0
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405127 135072654 1 NPO4C12H18 ABC4D12E18 -210.1 2.77 -9.56 -0.49 0
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405128 135072655 1 NSO2C14H21 ABC2D14E21 -31.92 4.53 -8.18 0.16 0
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405129 135072658 1 NSO2C23H27 ABC2D23E27 -11.11 5.57 -9.05 -0.43 0
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405130 135072659 1 ClNC12H12 ABC12D12 47.91 3.41 -8.43 -0.22 0
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405131 135072660 1 N4O4C19H20 A4B4C19D20 -28.78 10.15 -9.58 -1.19 0
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405132 135072661 1 NO3C21H23 AB3C21D23 -57.55 2.27 -8.76 -0.36 0
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405133 135072662 1 NC25H27 AB25C27 81.67 1.49 -9.06 0.25 0
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405134 135072663 1 NO2C19H21 AB2C19D21 -30.58 2.44 -9.39 0.05 0
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405135 135072665 1 NSO3C15H21 ABC3D15E21 -125.26 4.7 -9.86 -0.46 0
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405136 135072667 2 NO2C8H12 AB2C8D12 -115.18 2.24 -9.84 -1.09 1
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405137 135072668 1 N2O4C16H25 A2B4C16D25 -104.47 7.89 0.0 0.0 0
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405138 135072669 1 O8C23H28 A8B23C28 -292.77 2.83 -9.41 0.22 0
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405139 135072670 1 O8C17H24 A8B17C24 -321.13 1.08 -10.24 0.25 0
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405140 135072772 1 OSN2H14C16 ABC2D14E16 73.62 6.11 -8.23 -0.26 0
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405141 135072773 1 NOSiC15H27 ABCD15E27 -100.62 2.38 -8.3 0.38 0
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405142 135072776 1 O3C16H22 A3B16C22 -134.81 4.12 -9.43 -0.37 0
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405143 135072777 1 PO4C19H23 AB4C19D23 -191.9 0.78 -9.19 -0.02 0
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405144 135072779 1 ClN2O4C16H17 AB2C4D16E17 -110.14 2.09 -10.06 -1.12 1
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405145 135072780 1 ClN2O4C16H18 AB2C4D16E18 -111.31 4.57 0.0 0.0 0
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405146 135072781 2 NO2H7C9 AB2C7D9 -48.25 3.71 -9.44 -1.08 1
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405147 135072782 1 N2O4H15C18 A2B4C15D18 -46.84 4.84 0.0 0.0 0
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405148 135072783 1 NSO3C18H27 ABC3D18E27 -133.21 5.28 -10.11 -0.47 0
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405149 135072786 1 SiN2C19H26 AB2C19D26 15.01 3.81 -8.52 -0.08 0
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405150 135072787 2 NO2C8H12 AB2C8D12 -118.93 2.11 -9.53 -1.11 1
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405151 135072788 1 N2O4C16H25 A2B4C16D25 -106.94 2.88 0.0 0.0 0
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405152 135072789 1 C15H16 A15B16 82.01 1.48 -9.3 0.31 0
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405153 135072790 1 C13H18 A13B18 54.06 1.41 -9.15 1.4 0
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405154 135072791 1 NSO5C15H19 ABC5D15E19 -160.49 4.63 -9.45 -0.76 0
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405155 135072792 1 NO2H25C27 AB2C25D27 42.7 2.84 -9.05 -0.31 0
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405156 135072793 1 ClSeN2O5C9H11 ABC2D5E9F11 -208.7 3.74 -9.67 -1.38 0
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405157 135072794 2 OC9H13 AB9C13 -46.77 3.13 -9.29 0.4 0
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405158 135072795 1 NSO2C18H19 ABC2D18E19 -50.06 3.99 -9.45 -0.46 0
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405159 135072796 1 SeSiN3O5C22H31 ABC3D5E22F31 -219.64 9.47 -8.7 -1.06 0
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405160 135072798 1 NO5C22H25 AB5C22D25 -183.76 3.42 -9.5 -0.22 0
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405161 135072799 2 OH7C9 AB7C9 -19.27 4.91 -9.18 -1.09 0
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405162 135072801 1 ClO2H13C18 AB2C13D18 -29.79 6.54 -9.15 -1.2 0
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405163 135072802 1 NSO4C22H25 ABC4D22E25 -64.11 8.48 -8.93 -0.76 0
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405164 135072803 1 BrNO4C17H20 ABC4D17E20 -136.93 1.24 -8.13 -1.26 0
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405165 135072804 1 BrNO2C13H16 ABC2D13E16 -61.52 3.24 -9.2 -1.11 0
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405166 135072805 1 BrNO2C18H18 ABC2D18E18 -34.14 3.78 -9.38 -1.17 0
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405167 135072806 1 NO5C22H25 AB5C22D25 -182.55 5.09 -9.01 -0.37 0
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405168 135072852 1 O6C19H24 A6B19C24 -203.96 2.83 -9.08 -0.07 0
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405169 135072903 1 OH12C13 AB12C13 41.74 4.35 -9.3 -0.66 0
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405170 135072904 1 N2O2F3H17C21 A2B2C3D17E21 -159.55 4.44 -9.01 -0.7 0
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405171 135072905 1 BrSeN2O5C9H11 ABC2D5E9F11 -197.06 6.33 -9.52 -1.25 0
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405172 135072906 1 OC12H22 AB12C22 -41.13 2.13 -9.61 1.42 0
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405173 135072908 1 NPSO5C20H26 ABCD5E20F26 -230.85 4.45 -9.51 -0.63 0
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405174 135072909 1 NO2C13H15 AB2C13D15 -15.79 3.71 -9.29 -0.07 0
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405175 135072910 1 NO2C13H15 AB2C13D15 -15.67 3.28 -9.39 -0.1 0
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405176 135072912 1 NSO4C23H27 ABC4D23E27 -68.83 8.22 -8.92 -0.85 0
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405177 135072913 1 NO2C13H15 AB2C13D15 -16.17 4.52 -9.6 -0.14 0
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405178 135072914 1 OSH12C16 ABC12D16 86.47 2.86 -9.1 -0.86 0
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405179 135072915 1 NF3O7H38C42 AB3C7D38E42 -283.58 5.84 -9.33 -0.83 0
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405180 135072916 1 SSiO3C36H50 ABC3D36E50 -151.23 4.49 -8.6 -0.2 0
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405181 135072917 1 NCl3O7H34C36 AB3C7D34E36 -178.57 5.37 -9.54 -0.53 0
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405182 135072918 1 SeN3C8H9 AB3C8D9 98.7 5.09 -8.58 -0.63 0
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405183 135072919 1 ClSeN3H6C7 ABC3D6E7 99.15 2.31 -8.83 -0.96 0
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405184 135072920 1 NCl4O5C23H25 AB4C5D23E25 -219.81 2.57 -8.21 -0.56 0
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405185 135072923 1 SiO2C22H28 AB2C22D28 -94.69 2.38 -8.82 -0.39 0
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405186 135072924 1 SiO2C26H36 AB2C26D36 -107.63 2.3 -8.49 -0.45 0
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405187 135072925 1 O7C29H36 A7B29C36 -197.24 9.06 -9.17 -1.92 0
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405188 135072926 1 NSO5C17H23 ABC5D17E23 -182.29 5.94 -9.74 -0.47 0
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405189 135072927 1 ON2C15H16 AB2C15D16 7.18 2.34 -8.02 -0.03 -1
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405190 135072928 1 ON4H5C8 AB4C5D8 75.0 6.38 0.0 0.0 0
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405191 135072929 1 ON4H6C8 AB4C6D8 55.18 5.4 -9.45 -1.68 0
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405192 135072930 1 O4C13H20 A4B13C20 -173.95 2.67 -10.25 0.13 0
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405193 135072931 1 BNO4C12H12 ABC4D12E12 -173.03 5.82 -10.04 -1.4 0
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405194 135072932 1 NSO4C18H21 ABC4D18E21 -146.42 8.77 -8.67 -0.78 0
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405195 135072933 1 NO2F3C17H22 AB2C3D17E22 -207.99 5.76 -8.85 -0.8 0
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405196 135072934 1 NO2F3C19H24 AB2C3D19E24 -201.78 6.37 -8.71 -0.14 0
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405197 135072935 2 NOC8H11 ABC8D11 -56.35 3.54 -8.88 -0.39 0
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405198 135072937 1 NO4C18H19 AB4C18D19 -127.64 3.98 -9.23 -0.94 0
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405199 135072938 1 PO4C9H19 AB4C9D19 -252.98 3.53 -9.93 0.67 0
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405200 135072939 1 NC30H35 AB30C35 63.17 1.7 -8.95 0.3 0
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405201 135072940 1 PO4C15H31 AB4C15D31 -285.96 4.31 -10.15 0.53 0
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405202 135073026 1 NSO3C13H19 ABC3D13E19 -104.65 5.3 -9.67 -0.56 0
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405203 135073027 1 NSO3C14H21 ABC3D14E21 -103.95 5.54 -9.49 -0.25 0
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405204 135073034 1 SiO2C21H26 AB2C21D26 -66.34 0.84 -8.44 -0.72 0
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405205 135073035 1 NO5C21H27 AB5C21D27 -196.21 2.26 -8.27 0.17 0
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405206 135073037 1 NOC21H21 ABC21D21 51.85 2.06 -8.42 -0.17 0
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405207 135073038 1 NOC17H21 ABC17D21 2.99 1.27 -8.33 0.07 0
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405208 135073039 1 SN2O3H18C23 AB2C3D18E23 6.8 5.09 -9.66 -0.82 0
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405209 135073041 1 NPO5C20H30 ABC5D20E30 -270.89 2.04 -9.19 -0.05 0
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405210 135073042 1 NPO5C18H28 ABC5D18E28 -265.53 3.15 -9.65 -0.02 0
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405211 135073043 1 OC16H22 AB16C22 -4.83 2.33 -9.24 0.5 0
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405212 135073044 1 NOC26H27 ABC26D27 31.56 5.37 -8.29 -0.25 0
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405213 135073046 1 ClNOSC17H18 ABCDE17F18 -8.64 4.83 -8.65 -0.24 0
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405214 135073049 1 NBr2O2H17C18 AB2C2D17E18 -26.89 6.44 -9.24 -1.21 0
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405215 135073050 1 NO5C22H25 AB5C22D25 -172.72 5.68 -8.98 0.03 0
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405216 135073051 1 NO5C24H29 AB5C24D29 -191.64 3.44 -9.48 0.03 0