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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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59137 24771166 1 O2N5C21H23 A2B5C21D23 15.98 2.73 -9.32 -1.13 0
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59138 24771171 3 ON3C12H15 AB3C12D15 -32.2 3.48 -8.12 0.24 0
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59139 24771180 1 N2O3C14H20 A2B3C14D20 -98.44 3.94 -8.8 -0.6 0
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59140 24771181 1 NO3C12H15 AB3C12D15 -108.79 1.71 -8.87 -0.67 0
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59141 24771192 1 ClNO8H28C29 ABC8D28E29 -260.59 5.43 -8.4 -1.97 0
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59142 24771196 1 ON3H9C11 AB3C9D11 32.79 6.08 -9.26 -0.7 0
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59143 24771198 1 ON3C15H15 AB3C15D15 30.21 6.41 -9.2 -0.68 0
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59144 24771201 2 O4C11H14 A4B11C14 -260.08 5.48 -9.54 -0.5 0
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59145 24771207 1 ON3H13C20 AB3C13D20 78.01 3.82 -8.38 -0.99 0
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59146 24771245 1 O2N3C19H23 A2B3C19D23 -25.3 3.92 -8.69 -0.61 0
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59147 24771246 1 ON2C21H24 AB2C21D24 -19.54 3.56 -8.21 -0.75 0
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59148 24771248 1 ON5C14H15 AB5C14D15 34.98 6.62 -9.12 -0.76 0
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59149 24771249 1 FON3H12C13 ABC3D12E13 -25.54 5.08 -9.31 -0.76 0
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59150 24771255 1 ON5H9C10 AB5C9D10 37.62 6.38 -9.16 -0.8 0
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59151 24771299 1 ClO2F3H14C21 AB2C3D14E21 -193.35 6.22 -9.72 -1.17 0
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59152 24771301 1 ClO2F3H14C21 AB2C3D14E21 -194.8 2.85 -9.78 -1.13 0
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59153 24771302 3 FOH5C7 ABC5D7 -229.93 4.58 -9.33 -1.07 0
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59154 24771303 1 ClO2N3C20H24 AB2C3D20E24 -45.14 4.7 -8.76 -0.69 0
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59155 24771308 1 O2N4C21H22 A2B4C21D22 34.64 4.86 -9.01 -0.95 0
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59156 24771312 1 PC5H9O10 AB5C9D10 -502.78 2.44 -11.6 -0.55 0
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59157 24771321 1 F2N7O10C37H43 A2B7C10D37E43 -423.38 2.89 -9.02 -0.88 0
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59158 24771363 1 Cl2O2N3C21H23 A2B2C3D21E23 -25.21 4.62 -9.05 -0.84 0
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59159 24771366 1 ClO2N3C21H26 AB2C3D21E26 -49.45 4.34 -8.7 -0.72 0
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59160 24771370 1 SN10O14C44H72 AB10C14D44E72 -672.56 6.32 -8.96 -0.19 0
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59161 24771375 2 NOC11H15 ABC11D15 -90.39 3.2 -9.13 -0.13 0
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59162 24775647 1 N3O3C28H33 A3B3C28D33 -59.73 5.04 -7.96 -0.24 0
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59163 24775652 1 N3O6C27H29 A3B6C27D29 -187.15 3.86 -8.47 -1.05 0
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59164 24775653 1 NSO2F7H20C24 ABC2D7E20F24 -382.38 3.08 -9.14 -0.57 0
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59165 24775656 1 NO3F10H21C27 AB3C10D21E27 -588.92 4.09 -9.19 -0.65 0
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59166 24775666 1 SN3O3C19H21 AB3C3D19E21 -47.49 5.33 -8.2 -0.87 0
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59167 24775672 2 OC7H8 AB7C8 -34.66 2.78 -9.71 0.02 0
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59168 24775674 3 OC5H6 AB5C6 -112.13 1.67 -9.59 0.14 0
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59169 24775676 1 NO2C25H31 AB2C25D31 -48.52 2.94 -8.36 0.31 0
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59170 24775677 1 NO2C25H31 AB2C25D31 -51.74 3.41 -8.42 0.36 0
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59171 24775679 1 NO6H31C34 AB6C31D34 -83.74 7.97 -8.96 -1.1 0
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59172 24775680 1 NaS2N3O6C52H56 AB2C3D6E52F56 -176.88 24.08 -7.27 -2.22 1
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59173 24775681 1 S2N3O6C52H58 A2B3C6D52E58 -149.91 7.03 0.0 0.0 0
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59174 24775682 1 NaS2N3O8C55H60 AB2C3D8E55F60 -255.66 17.25 -7.24 -1.7 1
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59175 24775683 1 S2N3O8C55H62 A2B3C8D55E62 -251.71 9.68 0.0 0.0 0
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59176 24775688 1 SiO2C12H24 AB2C12D24 -118.65 2.43 -8.81 0.73 0
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59177 24775689 1 FO2H11C12 AB2C11D12 -94.56 3.63 -9.89 -0.66 0
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59178 24775691 1 FO2H17C19 AB2C17D19 -67.39 3.56 -9.81 -0.71 0
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59179 24775693 1 FO2C9H11 AB2C9D11 -129.49 3.85 -10.62 -0.63 0
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59180 24775694 1 FO2C15H17 AB2C15D17 -107.96 3.61 -9.85 -0.68 0
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59181 24775696 1 FO2C13H13 AB2C13D13 -95.92 3.62 -9.91 -0.72 0
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59182 24775698 1 NO3C27H45 AB3C27D45 -171.52 6.01 -8.53 0.1 0
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59183 24775699 1 O18C47H72 A18B47C72 -800.71 6.82 -8.83 0.63 0
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59184 24775702 1 ON2C33H62 AB2C33D62 -154.72 5.06 -8.68 3.08 0
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59185 24775703 1 ON2C35H66 AB2C35D66 -164.64 4.0 -8.74 2.94 0
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59186 24775704 1 ON2C36H68 AB2C36D68 -166.41 2.14 -8.73 2.9 0