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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406127 135076602 1 ClN3C17H20 AB3C17D20 57.34 3.38 -8.67 -0.92 0
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406128 135076603 1 INOH18C19 ABCD18E19 21.81 4.99 -8.61 -1.11 0
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406129 135076604 1 BrNO2H22C23 ABC2D22E23 3.6 2.0 -8.9 -1.78 0
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406130 135076605 1 BrN2H11C12 AB2C11D12 59.93 6.45 -8.94 -0.57 0
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406131 135076606 1 F3O5C20H25 A3B5C20D25 -383.57 5.2 -10.29 -0.75 0
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406132 135076607 1 Si4C17H42 A4B17C42 -116.05 0.51 -7.19 0.33 0
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406133 135076608 1 IOSiC27H33 ABCD27E33 -11.27 3.24 -9.0 -0.77 0
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406134 135076609 1 NSSiF3O5C19H28 ABCD3E5F19G28 -390.83 7.19 -8.72 -1.27 0
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406135 135076610 1 NSiO4C18H29 ABC4D18E29 -191.28 4.33 -9.06 -0.26 0
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406136 135076611 1 NO6C26H33 AB6C26D33 -177.99 2.52 -8.37 -0.38 0
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406137 135076612 1 BrNOC13H16 ABCD13E16 -1.85 3.58 -7.9 0.27 0
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406138 135076619 1 BrO2H19C22 AB2C19D22 15.01 1.35 -8.25 -0.27 0
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406139 135076621 1 O3H16C21 A3B16C21 -33.47 4.47 -9.02 -0.78 0
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406140 135076671 1 NSiO2C16H25 ABC2D16E25 -92.03 4.05 -8.9 0.28 0
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406141 135076673 1 SN2O4C18H20 AB2C4D18E20 -104.12 7.39 -8.96 -0.77 0
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406142 135076676 1 BrSO2N3C10H10 ABC2D3E10F10 18.23 4.86 -8.92 -1.44 0
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406143 135076694 1 NNaO2C8H10 ABC2D8E10 -87.02 16.75 -8.65 -0.52 0
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406144 135076710 1 BrFNC12H13 ABCD12E13 -10.58 4.1 -8.29 0.08 0
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406145 135076714 1 BrNO3C23H26 ABC3D23E26 -91.41 7.94 -8.64 -0.71 0
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406146 135076715 1 ClOC13H17 ABC13D17 -48.69 4.22 -9.63 -0.49 0
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406147 135076716 1 NSF3O4H14C16 ABC3D4E14F16 -244.79 3.18 -8.48 -1.66 0
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406148 135076717 1 BrClSO3H12C14 ABCD3E12F14 -93.81 6.61 -8.94 -0.92 0
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406149 135076719 1 SF3O3C23H25 AB3C3D23E25 -248.7 3.13 -8.91 -1.46 0
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406150 135076720 1 ClNOH12C16 ABCD12E16 57.44 5.31 -9.0 -0.97 0
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406151 135076721 1 NO2F5C21H22 AB2C5D21E22 -289.01 4.25 -8.65 -1.2 0
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406152 135076722 1 NO3F5C14H14 AB3C5D14E14 -345.26 3.74 -9.74 -1.2 0
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406153 135076723 1 IO7H21C26 AB7C21D26 -163.4 7.52 -9.06 -1.06 0
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406154 135076724 1 ISSiO8C20H21 ABCD8E20F21 -287.43 4.84 -8.81 -1.02 0
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406155 135076725 1 BrO2C15H19 AB2C15D19 -44.42 2.47 -8.84 -0.24 0
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406156 135076726 1 NO3C11H13 AB3C11D13 -84.3 2.56 -10.08 -0.45 0
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406158 135076728 1 ClO3C20H29 AB3C20D29 -173.55 5.87 -9.77 -0.54 0
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406159 135076729 1 CrSH6O6C11 ABC6D6E11 -132.66 3.57 -8.47 -0.08 0
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406160 135076730 1 CrOSC6H6 ABCD6E6 151.57 3.14 -7.08 0.07 0
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406161 135076731 1 SCl4H10C12 AB4C10D12 12.02 3.29 -8.82 -0.62 0
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406162 135076732 1 OC13H16 AB13C16 20.47 2.22 -8.57 0.07 0
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406163 135076733 2 FO2C8H8 AB2C8D8 -226.03 1.85 -10.06 -1.18 0
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406164 135076734 2 FO2C10H12 AB2C10D12 -261.72 3.58 -9.85 -1.18 0
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406165 135076735 1 Br2N2O7H16C19 A2B2C7D16E19 -234.64 8.25 -9.96 -1.25 0
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406166 135076736 1 P3O17C47H57 A3B17C47D57 -773.0 8.01 -9.3 -0.41 0
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406167 135076737 1 ClNSiO3C15H18 ABCD3E15F18 -125.94 7.58 -9.18 -1.02 0
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406168 135076738 2 NO2C7H8 AB2C7D8 -95.14 4.34 -9.23 -0.49 0
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406169 135076739 1 BrNSO2C10H12 ABCD2E10F12 -46.39 1.83 -8.65 -0.48 0
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406170 135076740 1 NO3C17H23 AB3C17D23 -79.65 4.09 -9.12 0.49 0
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406171 135076741 1 MgNSBr2O5C15H15 ABCD2E5F15G15 -182.96 3.84 -9.03 -1.74 0
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406173 135076743 1 NO3C15H15 AB3C15D15 -35.49 1.96 -8.74 -0.92 0
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406174 135076744 2 OC9H9 AB9C9 -0.77 1.94 -8.64 -0.04 0
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406175 135076762 1 BrFN2O2C31H32 ABC2D2E31F32 -71.98 5.24 -8.72 -1.23 0
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406176 135076775 1 Cl2H10C13 A2B10C13 22.65 3.16 -9.68 -0.28 0
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406177 135076777 1 BrNO2C22H22 ABC2D22E22 -38.36 3.0 -8.46 -1.14 0
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406178 135076778 1 NO3C10H13 AB3C10D13 -81.13 2.69 -9.22 0.15 0
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406179 135076781 1 NO2C15H17 AB2C15D17 -37.07 3.51 -7.79 0.26 0
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406180 135076805 1 N3O4C17H17 A3B4C17D17 -11.59 2.22 -9.3 -2.0 0
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406181 135076806 1 NO4C13H13 AB4C13D13 -99.25 5.46 -10.33 -1.06 0
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406182 135076820 1 NSO3F9H10C16 ABC3D9E10F16 -510.09 1.36 -9.51 -1.82 -1
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406183 135076822 1 BClF3H4C8 ABC3D4E8 -150.55 13.09 0.0 0.0 0
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406184 135076843 1 SN2F3O5H29C34 AB2C3D5E29F34 -202.43 4.73 -8.44 -1.82 0
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406185 135076847 1 BrNOF3C12H13 ABCD3E12F13 -191.36 5.72 -9.95 -0.67 0
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406186 135076848 1 NOC11H15 ABC11D15 -13.38 1.73 -9.11 -0.2 0
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406187 135076849 1 NO3C14H15 AB3C14D15 -66.88 2.94 -8.55 -0.28 0
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406188 135076850 1 NOH21C23 ABC21D23 65.93 3.46 -8.76 -0.41 0
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406189 135076851 1 NF6H11C23 AB6C11D23 -168.92 6.67 -9.47 -1.45 0
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406190 135076852 1 FH17C22 AB17C22 57.02 2.96 -8.63 -0.49 0
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406191 135076853 1 SO3F9H19C23 AB3C9D19E23 -556.98 3.3 -10.09 -1.84 0
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406192 135076854 1 SO3F5H19C21 AB3C5D19E21 -323.96 3.58 -9.57 -1.56 0
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406193 135076855 1 S2C11H18 A2B11C18 8.66 3.36 -8.55 0.23 0
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406194 135076856 1 NSO5C19H23 ABC5D19E23 -194.87 3.31 -8.9 -0.61 0
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406195 135076857 1 NSO5C22H29 ABC5D22E29 -209.87 5.84 -9.09 -0.74 0
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406196 135076858 1 BrNSO3C11H12 ABCD3E11F12 -59.27 8.05 -9.21 -0.89 0
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406197 135076859 1 NO2C17H19 AB2C17D19 -49.29 6.16 -8.89 -0.69 0
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406198 135076860 1 NO2H21C22 AB2C21D22 -13.39 5.85 -8.9 -0.71 0
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406199 135076861 1 IS2O9H15C22 AB2C9D15E22 -232.53 3.19 -8.87 -1.01 0
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406200 135076862 1 IO3C22H23 AB3C22D23 -65.61 1.91 -9.15 -0.98 0
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406201 135076863 1 BrOC20H21 ABC20D21 19.6 1.11 -9.06 -0.22 0
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406202 135076864 1 BrO2C13H15 AB2C13D15 -25.78 3.43 -8.94 -0.18 0
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406203 135076865 1 SO4C17H18 AB4C17D18 -98.97 5.57 -9.55 -0.71 0
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406204 135076866 1 SF3O4C12H13 AB3C4D12E13 -298.32 4.13 -10.45 -1.29 0
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406205 135076867 1 O2C15H28 A2B15C28 -100.87 1.2 -9.87 0.96 0
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406206 135076868 1 N2C11H18 A2B11C18 59.96 2.9 -8.26 -0.04 0
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406207 135076869 1 MoO6H10C17 AB6C10D17 -20.91 3.63 -7.69 -0.56 0
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406208 135076870 1 MoOH10C12 ABC10D12 175.31 5.53 -6.84 0.07 0
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406209 135076871 1 PCl2N2O6C13H15 AB2C2D6E13F15 -211.38 7.94 -9.64 -1.6 0
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406210 135076872 1 BrNOPC24H25 ABCDE24F25 -33.09 3.25 -9.1 -0.38 0
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406211 135076873 1 NPO2C25H28 ABC2D25E28 -76.59 4.61 -8.91 -0.07 0
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406212 135076874 1 SO3C23H30 AB3C23D30 -124.94 5.26 -8.97 -0.35 0
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406213 135076875 1 OSN2C8H8 ABC2D8E8 33.86 5.99 -8.79 -1.2 0
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406214 135076897 1 SN2F3O3H5C10 AB2C3D3E5F10 -209.03 9.37 -10.26 -1.77 0
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406215 135076898 1 BKF3C11H13 ABC3D11E13 -300.63 11.2 -9.06 -0.01 0
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406216 135076907 1 B2O5C22H36 A2B5C22D36 -381.08 3.33 -9.15 0.44 0
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406217 135076913 1 SiO3C20H34 AB3C20D34 -183.45 2.5 -9.0 0.16 0
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406218 135076928 1 ISN2O3H19C21 ABC2D3E19F21 8.6 5.55 -9.25 -0.82 0
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406219 135076934 1 BrSiO3C20H31 ABC3D20E31 -176.8 4.12 -8.73 -0.42 0
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406221 135076960 1 FOH9C10 ABC9D10 -8.54 4.0 -8.94 -0.27 0
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406222 135076963 1 CrNO6H23C30 ABC6D23E30 156.79 1.02 -7.25 -0.21 0
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406223 135076972 1 CrNO7H15C20 ABC7D15E20 -7.18 2.16 -7.0 -0.36 0
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406224 135076973 1 CrNO2C15H15 ABC2D15E15 152.98 3.34 -7.15 -0.1 0
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406225 135076974 1 CrO6C13H14 AB6C13D14 22.79 1.53 -6.88 0.35 0
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406226 135076975 1 PO4C14H21 AB4C14D21 -212.41 3.83 -9.05 -0.01 0
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406227 135076976 1 BrNSi2C24H46 ABC2D24E46 -139.65 2.44 -8.37 -0.02 0
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406228 135076977 1 NSO2C25H25 ABC2D25E25 23.91 5.33 -8.34 -0.57 0
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406229 135076978 1 ClLiNOC8H13 ABCDE8F13 -34.11 13.47 -6.62 1.0 0