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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413161 135086106 1 F3N4H10C13 A3B4C10D13 -28.88 3.66 0.0 0.0 1
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413162 135086107 1 FN4H12C13 AB4C12D13 76.89 3.21 0.0 0.0 0
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413163 135086108 2 SO2C13H14 AB2C13D14 -104.66 1.84 -8.49 -0.62 0
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413164 135086109 1 S2O4C17H20 A2B4C17D20 -139.95 2.7 -8.93 -0.72 0
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413165 135086110 2 SO2C9H11 AB2C9D11 -150.92 3.38 -8.98 -0.73 0
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413166 135086111 1 S2O5C18H22 A2B5C18D22 -183.89 3.95 -8.99 -0.57 0
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413167 135086112 1 S2O3C15H16 A2B3C15D16 -83.09 4.81 -8.89 -0.48 0
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413168 135086113 1 O4C13H20 A4B13C20 -189.74 5.33 -10.34 0.35 0
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413169 135086114 2 O2C7H8 A2B7C8 -99.36 4.14 -8.37 -0.08 0
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413170 135086115 1 INOC13H14 ABCD13E14 48.39 4.54 -9.51 -1.1 0
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413171 135086116 1 BaO2C11H14 AB2C11D14 -314.34 1.8 -8.99 -1.21 0
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413172 135086117 2 OC6H10 AB6C10 -81.28 3.08 -9.92 0.22 0
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413173 135086118 1 NOC9H11 ABC9D11 -5.11 2.89 -9.33 -0.32 0
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413174 135086119 1 ON6C9H16 AB6C9D16 26.03 5.88 -9.28 -0.38 0
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413175 135086120 1 ON2S2C12H22 AB2C2D12E22 -15.98 3.79 -8.52 -0.85 0
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413176 135086121 1 N3O3C8H11 A3B3C8D11 -123.01 5.37 -10.0 -0.57 0
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413177 135086122 1 ClSC11H13 ABC11D13 16.52 1.37 -8.71 -0.27 0
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413178 135086123 1 O2C15H16 A2B15C16 -27.73 6.26 -10.0 -0.71 0
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413179 135086124 1 SiN2O3C14H26 AB2C3D14E26 -152.28 1.86 -8.91 -0.71 1
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413180 135086125 1 SiN2O3C14H27 AB2C3D14E27 -140.25 5.78 0.0 0.0 0
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413181 135086127 1 ClN2O2C14H19 AB2C2D14E19 -76.3 2.16 -9.07 -0.29 0
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413182 135086128 1 ClFN2O2C13H16 ABC2D2E13F16 -109.98 3.63 -9.03 -0.57 0
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413183 135086129 1 SN2C18H22 AB2C18D22 63.72 1.61 -8.31 -0.62 0
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413184 135086130 1 N2O4C15H26 A2B4C15D26 -165.84 3.18 -9.64 -0.11 0
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413185 135086131 1 NSO2C20H27 ABC2D20E27 -20.86 4.96 -9.84 -0.35 0
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413186 135086132 1 NSO2C24H27 ABC2D24E27 15.14 5.3 -8.98 -0.41 0
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413187 135086133 1 NOSC8H9 ABCD8E9 40.62 0.92 -9.18 -0.55 0
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413188 135086134 1 SN2O4C19H22 AB2C4D19E22 -44.48 5.44 -9.17 -1.7 0
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413189 135086135 1 SN2O5C19H22 AB2C5D19E22 -75.28 6.78 -8.78 -1.69 0
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413190 135086136 1 NC17H17 AB17C17 91.61 1.42 -8.56 0.29 0
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413191 135086137 1 N2O4H16C19 A2B4C16D19 -64.01 4.66 -8.69 -0.64 0
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413192 135086138 1 SN3O6H23C26 AB3C6D23E26 -119.12 10.29 -8.54 -0.99 0
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413193 135086139 1 ClNSO2H16C18 ABCD2E16F18 22.46 8.85 -8.48 -0.75 0
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413194 135086140 1 NSO3C19H19 ABC3D19E19 -8.14 8.34 -8.14 -0.7 0
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413195 135086141 1 NSSiO3C29H37 ABCD3E29F37 -110.78 5.43 -9.01 -0.6 0
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413196 135086142 1 NO2C6H11 AB2C6D11 -48.79 3.29 -9.39 0.51 0
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413197 135086143 2 OC7H7 AB7C7 -7.63 1.72 -9.47 -0.36 0
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413198 135086144 1 NO6H17C19 AB6C17D19 -150.29 4.91 -9.66 -1.1 0
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413199 135086145 1 ClNO4H14C17 ABC4D14E17 -74.19 4.55 -9.43 -0.87 0
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413200 135086146 1 NSO2C17H27 ABC2D17E27 -85.0 6.39 -9.61 -0.37 0
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413201 135086147 1 NO2H19C23 AB2C19D23 12.86 3.53 -9.39 -0.43 0
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413202 135086148 1 NO3C16H21 AB3C16D21 -117.98 1.61 -9.57 0.06 0
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413203 135086149 1 NSO4H15C20 ABC4D15E20 10.09 6.01 -9.3 -0.52 0
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413204 135086150 1 IO4H9C12 AB4C9D12 -117.8 6.12 -9.37 -1.43 0
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413205 135086151 1 AgO2C6H7 AB2C6D7 -11.99 2.16 -8.43 -2.99 0
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413206 135086152 2 NOH8C9 ABC8D9 -0.43 4.44 -8.91 -0.63 0
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413207 135086153 2 NOH8C10 ABC8D10 2.51 4.13 -8.93 -0.86 0
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413208 135086154 1 BrClO5C13H20 ABC5D13E20 -252.12 4.32 -10.58 -0.75 0
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413209 135086155 2 OC7H12 AB7C12 -112.95 1.91 -9.32 0.44 0
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413210 135086156 1 SiO2C23H28 AB2C23D28 -54.17 1.9 -9.04 -0.05 0
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413211 135086157 1 O3C13H20 A3B13C20 -130.5 2.91 -9.25 0.48 0
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413212 135086158 1 NO4C17H27 AB4C17D27 -202.77 1.42 -9.31 0.43 0
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413213 135086159 1 O7C20H22 A7B20C22 -211.52 1.23 -8.27 -0.42 0
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413214 135086160 1 NO6C18H21 AB6C18D21 -195.01 5.85 -7.99 -0.12 0
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413215 135086161 1 OF3H13C17 AB3C13D17 -135.25 2.79 -9.57 -1.16 0
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413216 135086162 1 BrSO2N3H10C11 ABC2D3E10F11 -15.23 6.96 -8.94 -1.22 0
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413217 135086163 1 NS2O3H23C26 AB2C3D23E26 55.4 7.73 -8.09 -0.52 0
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413218 135086164 1 OSeC21H22 ABC21D22 28.75 3.16 -8.61 -0.57 0
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413219 135086165 1 SiO3C26H28 AB3C26D28 -52.25 1.23 -8.74 0.08 0
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413220 135086166 1 SiO2C19H22 AB2C19D22 -37.66 3.77 -8.81 0.21 0
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413221 135086167 1 PO2C19H31 AB2C19D31 -157.43 5.43 -9.26 0.2 0
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413222 135086168 3 OC4H6 AB4C6 -111.44 2.69 -10.06 0.23 0
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413223 135086169 1 O3C7H12 A3B7C12 -132.68 4.13 -9.09 0.91 0
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413224 135086170 1 FOH11C15 ABC11D15 -24.26 1.31 -8.61 -0.47 0
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413225 135086171 1 NO2C19H19 AB2C19D19 -22.67 4.05 -8.79 -0.24 0
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413226 135086173 1 NO3C17H21 AB3C17D21 -120.1 2.4 -9.71 -0.24 0
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413227 135086174 1 BrSO2H13C15 ABC2D13E15 -18.98 8.3 -9.39 -0.57 0
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413228 135086175 2 NO2C9H12 AB2C9D12 -135.21 1.32 -9.64 -0.67 0
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413229 135086176 1 NO2F3C13H14 AB2C3D13E14 -183.94 2.66 -9.33 -0.84 0
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413230 135086177 1 BO2C21H31 AB2C21D31 -168.31 3.2 -9.03 0.58 1
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413231 135086178 1 NC15H18 AB15C18 19.08 3.71 0.0 0.0 0
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413232 135086179 1 OC21H24 AB21C24 -2.23 2.8 -9.31 -0.52 0
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413233 135086180 1 SiC29H44 AB29C44 -27.77 0.78 -8.97 0.46 0
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413234 135086181 1 O4C15H18 A4B15C18 -153.02 3.27 -8.95 0.12 0
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413235 135086182 1 N3O3C13H15 A3B3C13D15 -20.26 2.83 -9.23 -0.36 0
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413236 135086183 1 BrO2N3C12H12 AB2C3D12E12 24.45 1.62 -9.95 -0.74 0
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413237 135086184 1 O2N3C13H15 A2B3C13D15 11.3 2.06 -9.67 -0.4 1
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413238 135086185 1 NC9H12 AB9C12 18.93 1.77 0.0 0.0 0
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413239 135086186 1 NOH19C20 ABC19D20 36.76 0.44 -8.41 -0.47 0
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413240 135086187 1 NOF4H11C15 ABC4D11E15 -176.47 4.71 -9.0 -0.94 1
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413241 135086188 1 ClN4H10C12 AB4C10D12 121.11 1.55 0.0 0.0 1
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413242 135086189 1 F3N4H10C13 A3B4C10D13 -32.12 3.58 0.0 0.0 1
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413243 135086190 1 FN4H12C13 AB4C12D13 74.92 4.32 0.0 0.0 0
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413244 135086191 1 SO4C9H10 AB4C9D10 -121.27 4.66 -9.44 -1.16 0
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413245 135086192 1 OCl3C12H21 AB3C12D21 -106.74 3.18 -10.61 -0.84 0
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413246 135086193 1 OCl3C7H11 AB3C7D11 -80.39 3.27 -10.47 -0.81 0
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413247 135086194 1 ClSO3H13C15 ABC3D13E15 -71.74 7.82 -9.54 -0.72 0
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413248 135086195 1 ClNO3H14C19 ABC3D14E19 -48.58 2.35 -8.96 -1.18 0
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413249 135086196 1 NSO3H11C17 ABC3D11E17 22.94 4.18 -8.86 -0.93 0
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413250 135086197 1 ClN2O3C13H15 AB2C3D13E15 -96.54 4.55 -8.86 -0.7 0
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413251 135086198 1 BrN2O3C13H15 AB2C3D13E15 -85.51 3.73 -8.96 -0.76 0
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413252 135086199 1 O2N4H20C23 A2B4C20D23 33.42 4.53 -8.53 -1.01 0
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413253 135086200 1 ON3H17C20 AB3C17D20 43.58 5.15 -8.15 -0.54 0
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413254 135086201 3 NOH7C10 ABC7D10 118.58 8.29 -8.72 -1.44 0
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413255 135086202 1 ON2C15H20 AB2C15D20 -2.74 3.51 -8.41 -0.36 0
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413256 135086203 2 NC10H11 AB10C11 67.23 3.91 -8.33 -0.19 0
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413257 135086204 1 N2O3H12C13 A2B3C12D13 10.99 8.51 -9.01 -1.31 0
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413258 135086205 1 NO3C16H17 AB3C16D17 -75.06 3.93 -8.62 -0.69 0
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413259 135086206 1 SN2O4H18C19 AB2C4D18E19 -40.74 4.17 -8.25 -0.75 0
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413260 135086207 1 N2O2C15H18 A2B2C15D18 -1.54 0.6 -8.02 -0.2 0