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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53127 14709628 1 NO2C16H23 AB2C16D23 -58.87 3.17 -9.3 -0.1 0
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53128 14709629 1 NOC18H19 ABC18D19 -7.61 2.64 -8.73 -0.05 0
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53129 14709630 1 NOH15C20 ABC15D20 39.65 2.75 -8.67 -0.17 0
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53130 14709632 1 NSH13C15 ABC13D15 68.19 4.23 -8.47 -0.72 0
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53131 14709633 1 NSH15C16 ABC15D16 64.04 4.07 -8.43 -0.69 0
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53132 14709634 1 NSH11C14 ABC11D14 70.22 3.93 -8.51 -0.74 0
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53133 14709635 1 NSH13C15 ABC13D15 65.4 3.79 -8.48 -0.73 0
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53134 14709636 1 NC16H17 AB16C17 44.63 2.06 -8.2 0.41 0
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53135 14709638 1 NOC19H23 ABC19D23 -7.89 0.6 -8.01 0.07 0
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53136 14709639 1 NSC19H23 ABC19D23 31.45 0.76 -8.1 0.06 0
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53137 14709640 1 NC18H19 AB18C19 39.64 1.79 -8.01 0.16 0
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53138 14709641 1 NOC18H19 ABC18D19 1.81 1.09 -8.14 0.04 0
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53139 14709643 1 NH13C15 AB13C15 69.09 2.81 -8.93 -0.49 0
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53140 14709644 1 NC18H19 AB18C19 54.39 2.9 -8.91 -0.48 0
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53141 14709646 1 NH13C15 AB13C15 68.25 1.76 -9.21 -0.38 0
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53142 14709648 1 NOC19H21 ABC19D21 -15.55 1.6 -8.18 0.08 0
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53143 14709649 1 Cl3H7C8 A3B7C8 16.23 2.59 -9.28 -0.36 0
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53144 14709650 1 CMgBr2H2 ABC2D2 16.83 0.69 -7.8 -1.61 0
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53145 14709653 1 BF4C12H15 AB4C12D15 -296.18 1.81 -9.24 -0.13 0
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53146 14709655 2 C6H7 A6B7 37.59 0.82 -8.28 0.25 1
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53147 14709658 1 O2H11C12 A2B11C12 -26.11 1.89 0.0 0.0 -2
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53148 14709660 2 BF4H6C7 AB4C6D7 -576.19 6.17 -11.84 -3.25 0
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53149 14709661 1 NOSiC13H21 ABCD13E21 -44.1 1.41 -8.11 0.21 0
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53150 14709664 1 N6C11H18 A6B11C18 71.08 7.67 -9.02 -0.66 0
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53151 14709665 1 ON6C8H10 AB6C8D10 30.01 8.7 -9.46 -0.79 0
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53152 14709669 1 NO2C29H29 AB2C29D29 13.71 5.37 -8.14 -0.08 0
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53153 14709672 1 NO2F3H28C30 AB2C3D28E30 -142.68 7.17 -8.38 -0.25 0
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53154 14709674 1 N2O3C33H36 A2B3C33D36 -18.91 6.4 -8.39 -0.11 0
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53155 14709676 1 NOSC9H11 ABCD9E11 15.04 0.64 -8.66 -0.46 0
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53156 14709677 1 NSC11H11 ABC11D11 47.14 0.98 -8.45 -0.42 0
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53157 14709678 1 NSC12H13 ABC12D13 36.7 1.71 -8.27 -0.33 0
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53158 14709679 1 NSC13H15 ABC13D15 29.81 1.58 -8.29 -0.31 0
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53159 14709680 1 NSC13H13 ABC13D13 65.65 0.34 -8.64 -0.48 0
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53160 14709681 1 NOSC10H13 ABCD10E13 12.39 2.65 -8.73 -0.37 0
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53161 14709682 1 NOSC11H15 ABCD11E15 4.23 2.2 -8.61 -0.39 0
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53162 14709683 1 NSC12H13 ABC12D13 37.97 0.72 -8.44 -0.31 0
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53163 14709685 1 NSC14H15 ABC14D15 56.42 1.04 -8.64 -0.37 0
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53164 14709686 1 NSC15H17 ABC15D17 49.32 1.45 -8.32 -0.21 0
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53165 14709687 1 SO3C9H18 AB3C9D18 -162.13 2.82 -8.87 0.56 0
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53166 14709688 1 SO2C7H12 AB2C7D12 -106.05 3.17 -9.28 0.07 0
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53167 14709689 1 SN2O2C13H16 AB2C2D13E16 -33.37 3.62 -8.91 -0.94 0
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53168 14709691 1 OSN4C12H12 ABC4D12E12 50.87 1.78 -9.03 -1.43 0
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53169 14709692 1 ClS2H11C13 AB2C11D13 27.58 1.63 -8.4 -0.81 0
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53170 14709694 1 O3N4H14C16 A3B4C14D16 0.88 4.73 -8.47 -1.32 0
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53171 14709696 1 ClO2N4H11C15 AB2C4D11E15 30.72 6.34 -9.03 -1.44 0
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53172 14709697 1 ClO2N4H11C15 AB2C4D11E15 30.48 7.51 -9.26 -1.46 0
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53173 14709698 1 O4N5H11C15 A4B5C11D15 37.7 10.79 -9.63 -1.5 0
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53174 14709699 1 O4N5H11C15 A4B5C11D15 33.86 8.98 -9.8 -1.64 0
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53175 14709702 1 ClO2N4H11C15 AB2C4D11E15 14.61 8.71 -8.92 -1.32 0
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53176 14709703 1 ClO2N4H11C15 AB2C4D11E15 14.56 9.41 -9.08 -1.4 0
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53177 14709704 1 O4N5H11C15 A4B5C11D15 21.17 13.07 -9.44 -1.54 0
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53178 14709705 1 O4N5H11C15 A4B5C11D15 18.17 12.75 -9.54 -1.72 0
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53179 14709706 3 ON2C6H12 AB2C6D12 -118.53 6.36 -8.23 1.05 0
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53180 14709707 3 ON2C7H14 AB2C7D14 -130.34 5.9 -8.0 0.97 0
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53181 14709710 2 NO2C6H12 AB2C6D12 -168.47 4.33 -9.29 0.88 0
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53182 14709712 2 N2O2C9H18 A2B2C9D18 -177.21 7.1 -8.89 1.07 0
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53183 14709715 1 ClOH3N4C6 ABC3D4E6 42.58 2.54 -9.81 -1.92 0
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53184 14709716 1 O3N4C8H8 A3B4C8D8 -42.48 2.43 -9.36 -1.84 0
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53185 14709717 1 ClOC4N4H5 ABC4D4E5 -6.83 3.11 -9.39 -0.9 0
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53186 14709718 2 OC2N2H3 AB2C2D3 -42.18 0.12 -8.87 -1.06 0
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53187 14709721 1 OH5N5C6 AB5C5D6 46.39 4.7 -9.0 -1.73 0
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53188 14709723 1 O2N5C8H9 A2B5C8D9 -0.76 4.8 -8.94 -1.79 0
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53189 14709724 1 OC4N5H7 AB4C5D7 -0.7 3.81 -9.12 -0.7 0
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53190 14709726 1 O2N5C6H11 A2B5C6D11 -48.14 3.61 -9.19 -0.77 0
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53191 14709731 1 SN3O5H15C16 AB3C5D15E16 -123.58 6.67 -10.16 -2.1 0
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53192 14709732 1 SN3O5H17C21 AB3C5D17E21 -88.31 4.98 -9.63 -1.98 0
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53193 14709733 1 O2N5C8H9 A2B5C8D9 -0.32 4.25 -8.96 -1.8 0
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53194 14709734 1 O2N5C9H11 A2B5C9D11 -0.47 4.18 -8.64 -1.57 0
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53195 14709735 1 O2N5C10H13 A2B5C10D13 -6.97 3.78 -8.72 -1.66 0
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53196 14709736 1 O2N5H13C14 A2B5C13D14 24.23 4.94 -8.84 -1.67 0
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53197 14709743 1 NPO2C14H30 ABC2D14E30 -161.59 1.48 -8.31 1.37 0
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53198 14709747 1 NPO3C10H22 ABC3D10E22 -220.38 2.57 -8.68 0.89 0
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53199 14709748 1 NPO3C14H30 ABC3D14E30 -239.03 1.06 -8.82 0.96 0
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53200 14709750 1 NPO3C16H34 ABC3D16E34 -254.61 1.67 -8.59 1.12 0
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53201 14709751 1 NPCl2C6H12 ABC2D6E12 -69.66 3.28 -8.97 0.16 0
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53202 14709752 1 NPCl2C8H14 ABC2D8E14 -69.05 3.08 -9.06 0.17 0
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53203 14709760 1 SnC9H18 AB9C18 12.39 2.21 -8.35 0.64 0
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53204 14709764 1 O4H18C19 A4B18C19 -105.77 3.07 -8.7 -0.69 0
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53205 14709770 1 ClO4H19C20 AB4C19D20 -122.5 2.92 -8.94 -0.92 0
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53206 14709773 1 O4C21H22 A4B21C22 -121.93 1.4 -8.72 -0.67 0
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53207 14709776 2 O3C11H11 A3B11C11 -193.84 4.58 -8.89 -1.01 0
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53208 14709778 4 OC5H5 AB5C5 -104.24 3.52 -8.64 -0.6 0
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53209 14709779 1 O4H18C19 A4B18C19 -98.1 2.64 -8.66 -0.69 0
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53210 14709789 1 OSC13H20 ABC13D20 -13.5 2.35 -8.93 0.17 0
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53211 14709790 1 OSC13H20 ABC13D20 -24.51 1.86 -8.5 0.11 0
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53212 14709791 1 OSC13H20 ABC13D20 -24.62 1.95 -8.55 0.1 0
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53213 14709793 1 OSC13H20 ABC13D20 -18.14 2.83 -8.41 0.38 0
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53214 14709794 1 SO2C13H20 AB2C13D20 -48.88 3.52 -8.21 0.32 0
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53215 14709795 1 SO2C13H20 AB2C13D20 -52.26 5.64 -8.59 -0.01 0
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53216 14709805 1 SO3C15H24 AB3C15D24 -92.93 3.8 -8.29 0.32 0
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53217 14709806 1 SO3C15H24 AB3C15D24 -87.49 4.01 -8.09 0.4 0
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53218 14709808 1 SO3C15H24 AB3C15D24 -83.5 5.53 -8.16 0.65 0
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53219 14709811 2 O2C14H15 A2B14C15 -112.67 7.41 -8.97 -1.04 0
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53220 14709812 1 O4H24C25 A4B24C25 -95.7 7.18 -8.98 -1.07 0
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53221 14709813 1 O4H24C25 A4B24C25 -95.05 7.02 -8.95 -1.05 0
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53222 14709815 1 NO4C25H31 AB4C25D31 -129.97 7.93 -9.47 -0.84 0
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53223 14709816 1 NO4C25H31 AB4C25D31 -128.48 8.26 -9.43 -0.8 0
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53224 14709818 1 NO3C29H31 AB3C29D31 -61.2 7.49 -9.39 -1.07 0
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53225 14709820 1 NO4C29H31 AB4C29D31 -97.59 9.23 -8.93 -1.03 0
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53226 14709821 1 NO4C29H31 AB4C29D31 -95.22 6.46 -8.9 -0.93 0