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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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431083 135171153 1 O2N4C25H30 A2B4C25D30 -3.18 1.95 -8.89 -0.62 0
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431084 135171154 1 ClN2C7H9 AB2C7D9 32.8 2.56 -8.39 -0.44 0
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431085 135171155 1 NF2O3C17H25 AB2C3D17E25 -229.05 4.44 -9.22 0.33 0
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431086 135171156 1 ClSN3O4C22H26 ABC3D4E22F26 -16.12 3.87 -8.58 -0.79 0
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431087 135171157 1 BrON2C4H7 ABC2D4E7 -14.58 3.82 -10.34 -0.68 0
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431088 135171158 1 ON4C12H22 AB4C12D22 -19.0 3.85 -8.57 -0.38 0
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431089 135171159 1 PSO3N4C19H19 ABC3D4E19F19 -59.56 4.6 -8.25 -0.84 0
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431090 135171160 1 O2N5C23H29 A2B5C23D29 27.94 3.66 -9.25 -0.71 0
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431091 135171161 1 O2N5C23H29 A2B5C23D29 28.78 2.91 -9.18 -0.73 0
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431095 135171165 1 FN4H7C8 AB4C7D8 43.29 3.76 -8.8 -0.94 0
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431096 135171166 1 BrFN4H6C8 ABC4D6E8 45.46 4.62 -8.77 -1.08 0
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431098 135171168 1 PSO2N5C19H20 ABC2D5E19F20 -21.61 4.76 -8.22 -0.77 0
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431099 135171169 2 NOC4H5 ABC4D5 -43.6 3.84 -10.16 -1.16 0
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431100 135171170 1 N2O2C15H24 A2B2C15D24 -74.79 0.38 -8.53 -0.16 0
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431101 135171171 1 O2N6C23H26 A2B6C23D26 86.68 2.67 -8.71 -0.87 0
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431102 135171172 1 N3O4C30H43 A3B4C30D43 -183.02 4.27 -8.74 0.21 0
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431103 135171173 1 BrSN2C6H9 ABC2D6E9 46.95 4.74 -9.55 -0.71 0
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431104 135171174 1 O2N4C25H28 A2B4C25D28 -3.12 2.43 -8.77 -0.69 0
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431105 135171175 1 OSN5C23H29 ABC5D23E29 47.02 6.54 -8.79 -0.48 0
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431106 135171176 1 ON3C16H23 AB3C16D23 -5.31 3.53 -8.81 -0.48 0
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431107 135171177 2 NC6H13 AB6C13 -39.55 2.48 -8.41 2.72 0
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431108 135171178 1 BrClO3C7H10 ABC3D7E10 -152.78 3.51 -11.05 -1.35 0
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431109 135171179 1 N2F3C11H13 A2B3C11D13 -136.26 3.38 -8.99 -0.79 0
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431110 135171180 1 O3N5C26H31 A3B5C26D31 -22.5 3.74 -8.57 -0.57 0
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431111 135171181 1 O4N5C26H29 A4B5C26D29 21.06 5.03 -8.77 -1.65 0
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431112 135171182 1 O2N5C24H27 A2B5C24D27 11.79 3.46 -9.23 -0.67 0
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431113 135171183 1 O2N5C23H31 A2B5C23D31 -4.57 6.41 -9.08 -0.59 0
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431114 135171184 1 O2N5C24H27 A2B5C24D27 11.36 2.52 -9.03 -0.63 0
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431115 135171185 1 O2N5C23H29 A2B5C23D29 16.58 1.69 -8.87 -0.8 0
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431116 135171186 2 ON2C12H15 AB2C12D15 -25.63 2.12 -8.67 -0.66 0
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431117 135171187 1 O2N5C26H27 A2B5C26D27 34.02 2.59 -9.15 -0.64 0
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431118 135171188 2 NC10H22 AB10C22 -83.47 3.07 -8.87 2.8 0
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431119 135171189 1 O2N5C26H27 A2B5C26D27 31.48 3.71 -9.14 -0.69 0
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431120 135171190 1 SN2O4C19H30 AB2C4D19E30 -193.23 4.64 -9.16 -0.03 0
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431121 135171191 1 FON4C23H27 ABC4D23E27 -32.24 2.66 -8.91 -0.85 0
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431122 135171192 1 NSO3C17H21 ABC3D17E21 -110.6 7.48 -8.95 -0.33 0
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431123 135171193 1 NSO5C17H25 ABC5D17E25 -228.49 4.23 -9.43 0.2 0
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431124 135171194 1 S2F3O4N5C22H22 A2B3C4D5E22F22 -247.41 6.17 -8.47 -1.32 0
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431125 135171195 1 NOSC12H13 ABCD12E13 -3.16 6.74 -8.89 -0.33 0
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431126 135171196 2 SN3O3C23H26 AB3C3D23E26 -133.26 7.82 -8.7 -0.48 0
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431127 135171197 1 FON4C23H27 ABC4D23E27 -26.33 4.27 -8.99 -0.79 0
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431128 135171198 1 SN3O5C28H35 AB3C5D28E35 -182.64 7.31 -8.83 -0.49 0
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431129 135171199 1 NSO5C17H21 ABC5D17E21 -194.07 7.73 -9.76 -0.55 0
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431130 135171200 1 NSO5C17H23 ABC5D17E23 -215.68 5.64 -9.67 -0.06 0
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431131 135171201 1 O3N4C28H30 A3B4C28D30 -18.97 2.88 -8.26 -0.7 0
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431132 135171202 1 O3N4C28H30 A3B4C28D30 -20.36 7.6 -8.34 -0.86 0
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431133 135171203 1 OSN3C26H29 ABC3D26E29 22.25 3.4 -8.53 -0.52 0
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431134 135171204 1 OSN3C26H29 ABC3D26E29 19.9 3.76 -8.72 -0.52 0
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431135 135171205 1 O2N4C27H28 A2B4C27D28 18.12 3.69 -8.45 -0.57 0
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431136 135171206 1 O2N4C27H28 A2B4C27D28 19.52 5.6 -8.69 -0.84 0
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431137 135171207 1 FON4C23H27 ABC4D23E27 -28.08 6.51 -9.05 -0.39 0
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431138 135171208 1 FON4C23H27 ABC4D23E27 -31.11 3.37 -8.95 -0.65 0
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431139 135171209 1 N3C38H49 A3B38C49 35.98 4.9 -7.95 0.04 0
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431140 135171210 1 SF3O3N5H18C21 AB3C3D5E18F21 -146.93 4.08 -9.4 -1.74 0
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431141 135171211 1 ON3C26H31 AB3C26D31 5.63 5.07 -8.69 -0.17 0
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431142 135171212 1 NS2O6C15H21 AB2C6D15E21 -258.79 6.94 -9.53 -0.44 0
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431143 135171213 1 SN3O3C23H31 AB3C3D23E31 -102.6 5.89 -9.09 -0.07 0
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431144 135171214 1 ClON5C22H26 ABC5D22E26 28.02 6.11 -8.57 -0.73 0
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431145 135171215 1 ON4C25H32 AB4C25D32 3.23 3.03 -9.05 -0.68 0
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431146 135171216 1 ON5C25H29 AB5C25D29 40.46 2.61 -8.13 -0.66 0
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431147 135171217 1 ClO2N6C37H41 AB2C6D37E41 -4.8 7.25 -8.44 -0.65 0
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431148 135171218 1 ClON5C22H24 ABC5D22E24 39.55 2.94 -8.76 -1.08 0
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431149 135171219 1 O2N5C26H27 A2B5C26D27 34.44 8.83 -9.26 -0.88 0
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431150 135171220 1 O2N5C26H27 A2B5C26D27 33.11 4.9 -8.99 -1.26 0
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431151 135171221 1 O2N7C26H29 A2B7C26D29 111.38 8.31 -8.65 -0.69 0
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431152 135171222 1 F3N3O3C22H28 A3B3C3D22E28 -294.63 3.75 -8.93 -0.53 0
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431153 135171223 1 OF3N3C17H20 AB3C3D17E20 -177.77 2.44 -8.91 -0.64 0
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431154 135171224 1 SF3O3N6H17C20 AB3C3D6E17F20 -132.13 4.68 -9.58 -1.88 0
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431155 135171225 1 ClSF3N3O3H15C18 ABC3D3E3F15G18 -198.86 5.14 -9.39 -1.55 0
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431156 135171226 1 FON4C23H25 ABC4D23E25 -13.17 3.02 -8.58 -0.72 0
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431157 135171227 1 SO2N3C23H27 AB2C3D23E27 -7.1 3.62 -8.6 -0.64 0
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431158 135171228 1 PSO2N5C21H24 ABC2D5E21F24 -35.58 5.75 -8.2 -0.78 0
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431159 135171229 1 O2N3C23H33 A2B3C23D33 -71.34 2.2 -8.71 -0.28 0
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431160 135171230 1 BrN2O2H5C6 AB2C2D5E6 -41.37 5.19 -10.74 -1.86 0
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431161 135171231 1 OF2N3C23H29 AB2C3D23E29 -105.5 0.76 -8.73 -0.11 0
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431162 135171232 2 NOC8H10 ABC8D10 -57.82 2.65 -8.71 -0.4 0
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431163 135171233 1 O2N5C21H27 A2B5C21D27 6.84 3.27 -9.18 -0.73 1
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431164 135171234 1 NS2O6C18H32 AB2C6D18E32 -189.7 7.14 0.0 0.0 0
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431165 135171235 2 ON3C12H14 AB3C12D14 60.6 3.68 -9.49 -1.27 0
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431166 135171236 2 ON3C12H14 AB3C12D14 59.22 4.94 -9.18 -1.27 0
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431167 135171237 1 OF3N3C17H20 AB3C3D17E20 -170.74 3.93 -8.99 -0.79 0
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431168 135171238 1 N2S2O7C20H34 A2B2C7D20E34 -329.46 5.48 -9.24 -0.53 0
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431169 135171239 1 O2N5C21H27 A2B5C21D27 6.89 4.65 -9.0 -0.39 0
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431170 135171240 1 O2F3N3C23H24 A2B3C3D23E24 -179.9 3.02 -8.91 -0.56 0
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431171 135171241 1 SO2N6C24H28 AB2C6D24E28 -3.68 8.29 -8.07 -1.06 0
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431172 135171242 1 OF3N3C24H26 AB3C3D24E26 -146.05 6.39 -8.72 -0.24 0
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431173 135171243 1 O2F3N3C23H24 A2B3C3D23E24 -175.67 5.12 -8.83 -0.43 0
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431174 135171244 1 PSO3N4H17C18 ABC3D4E17F18 -61.28 4.86 -8.44 -0.85 0
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431175 135171245 2 ON2C13H17 AB2C13D17 -34.82 3.63 -8.57 -0.52 0
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431176 135171246 2 ON2C13H17 AB2C13D17 -36.63 1.76 -8.6 -0.72 0
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431177 135171247 1 ClO4N5C33H38 AB4C5D33E38 -74.73 5.08 -8.97 -0.91 0
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431178 135171248 1 ClO3N7C35H36 AB3C7D35E36 -21.47 9.45 -8.67 -0.96 0
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431179 135171249 1 FN4C30H37 AB4C30D37 29.06 2.94 -8.04 -0.4 0
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431180 135171250 1 ClN4O4C17H19 AB4C4D17E19 -99.82 5.53 -8.77 -1.48 0
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431181 135171251 1 IN2C15H23 AB2C15D23 14.42 3.06 -8.79 -0.78 0
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431182 135171252 1 ON4C24H30 AB4C24D30 1.46 5.99 -8.52 -0.3 0
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431183 135171253 1 O3N4C28H36 A3B4C28D36 -95.49 1.85 -9.22 -0.65 0
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431184 135171254 1 IN2C17H17 AB2C17D17 73.13 3.7 -8.22 -1.11 0
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431185 135171255 1 ClN5O5C39H42 AB5C5D39E42 -106.71 4.71 -8.58 -1.04 0
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431186 135171256 1 ON6C20H26 AB6C20D26 26.38 4.59 -9.23 -0.79 0