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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48164 10537630 1 FO3H11C13 AB3C11D13 -118.02 3.4 -9.73 -0.59 0
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48165 10537631 1 FO3H11C13 AB3C11D13 -117.56 2.53 -9.7 -0.62 0
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48166 10537634 1 O4C13H14 A4B13C14 -103.65 4.91 -9.7 -0.03 0
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48167 10537636 1 O4C13H14 A4B13C14 -133.32 4.14 -9.54 -0.55 0
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48168 10537650 1 O3C14H18 A3B14C18 -126.79 2.92 -10.35 -0.9 0
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48169 10537651 1 O3C14H18 A3B14C18 -54.8 2.19 -9.23 -0.19 0
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48170 10537657 2 SO2C4H5 AB2C4D5 -171.55 7.01 -9.77 -1.85 0
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48171 10537676 1 SiO2C12H24 AB2C12D24 -144.73 2.66 -8.7 0.61 0
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48172 10537685 1 SC15H22 AB15C22 -26.66 1.97 -8.31 0.31 0
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48173 10537692 1 PCl2C10H13 AB2C10D13 10.27 3.84 -8.84 -0.87 0
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48174 10537694 1 BrO2C9H15 AB2C9D15 -100.31 4.03 -10.49 -0.83 0
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48175 10537696 1 NO5H9C11 AB5C9D11 -92.92 3.88 -9.75 -1.58 0
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48176 10537702 1 NO4C12H13 AB4C12D13 -139.3 5.34 -10.08 -1.23 0
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48177 10537711 1 NSO3H9C11 ABC3D9E11 -75.41 5.93 -9.32 -1.4 0
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48178 10537747 2 FO2C5H7 AB2C5D7 -275.97 2.91 -10.66 0.07 0
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48179 10537748 1 O7C9H16 A7B9C16 -294.48 5.53 -10.2 0.33 0
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48180 10537751 1 O5C12H12 A5B12C12 -160.87 2.99 -8.88 -0.48 0
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48181 10537753 1 N2O4C11H12 A2B4C11D12 -120.21 9.42 -8.67 -0.67 0
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48182 10537754 1 N2O4C11H12 A2B4C11D12 -66.58 6.34 -9.1 -0.49 0
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48183 10537758 1 FOSN4H5C9 ABCD4E5F9 74.25 5.33 -9.22 -1.91 0
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48184 10537761 1 O4C13H16 A4B13C16 -143.3 1.59 -10.18 -0.78 0
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48185 10537765 1 O4C13H16 A4B13C16 -168.45 5.9 -9.62 -0.03 0
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48186 10537773 1 ON2H12C15 AB2C12D15 24.3 3.02 -9.17 -1.07 0
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48187 10537780 1 O3C14H20 A3B14C20 -118.99 0.6 -9.03 0.59 0
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48188 10537781 1 O3C14H20 A3B14C20 -131.06 4.32 -9.76 0.51 0
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48189 10537782 1 O3C14H20 A3B14C20 -138.15 3.9 -10.11 0.25 0
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48190 10537792 1 N2O2C13H20 A2B2C13D20 -33.67 3.14 -8.44 0.33 0
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48191 10537819 1 ClN2O2H9C11 AB2C2D9E11 23.55 4.99 -9.6 -1.65 0
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48192 10537820 1 ClO2C13H13 AB2C13D13 -54.26 0.76 -9.34 -1.14 0
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48193 10537821 1 BrC12H13 AB12C13 24.14 2.24 -8.97 -0.1 0
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48194 10537822 1 NO6H7C10 AB6C7D10 -123.27 7.11 -10.68 -1.98 0
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48195 10537823 1 O4N5H7C8 A4B5C7D8 -80.33 6.36 -10.55 -2.36 0
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48196 10537828 1 O3N5C9H11 A3B5C9D11 -62.98 10.54 -9.27 -0.25 0
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48197 10537839 1 NO3C13H19 AB3C13D19 -132.51 8.78 -9.18 -0.27 0
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48198 10537845 1 NO3C13H19 AB3C13D19 -70.55 1.59 -8.52 -0.03 0
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48199 10537854 1 NO2C14H23 AB2C14D23 -91.04 4.08 -10.36 0.46 0
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48200 10537859 1 NC17H19 AB17C19 48.68 1.92 -9.19 0.15 0
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48201 10537876 1 O7C9H18 A7B9C18 -330.71 1.22 -10.51 0.68 0
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48202 10537878 1 O5C12H14 A5B12C14 -82.35 5.8 -9.98 0.16 0
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48203 10537879 1 O5C12H14 A5B12C14 -193.54 1.99 -9.83 -0.21 0
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48204 10537885 2 NOH5C7 ABC5D7 -23.88 7.73 -9.33 -1.01 0
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48205 10537902 1 OSN4C10H14 ABC4D10E14 12.28 5.08 -8.8 -0.49 0
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48206 10537910 1 OC17H18 AB17C18 0.55 3.66 -9.03 -0.22 0
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48207 10537920 1 SiO3C12H18 AB3C12D18 -125.12 3.56 -10.02 -0.42 0
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48208 10537929 1 OC16H30 AB16C30 -76.95 1.59 -9.64 1.12 0
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48209 10537942 1 FNO3C12H14 ABC3D12E14 -147.31 5.73 -8.57 -0.64 0
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48210 10537947 1 NO4C12H17 AB4C12D17 -179.44 4.9 -8.8 0.72 0
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48211 10537989 1 N2O5C10H12 A2B5C10D12 -120.38 4.05 -9.4 -1.2 0
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48212 10537990 1 N4O4C9H12 A4B4C9D12 -46.37 6.42 -9.83 -1.13 0
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48213 10538006 1 O2F3C11H19 A2B3C11D19 -294.34 3.29 -11.23 0.31 1
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48214 10538008 1 ON4C13H13 AB4C13D13 94.62 2.06 0.0 0.0 0
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48215 10538028 1 O2N4C11H20 A2B4C11D20 -83.05 1.3 -8.72 0.47 0
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48216 10538039 1 O2C15H28 A2B15C28 -136.2 5.54 -10.34 1.02 0
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48217 10538046 1 N2C15H32 A2B15C32 -39.1 2.27 -8.49 2.77 0
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48219 10538092 1 BrNC11H16 ABC11D16 9.45 3.73 -9.75 0.08 0
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48220 10538093 1 N2O6C9H10 A2B6C9D10 -46.18 3.82 -10.06 -1.33 0
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48221 10538097 1 N2O5C10H14 A2B5C10D14 -157.57 2.34 -10.0 -0.7 0
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48222 10538104 1 O3H14C15 A3B14C15 -31.57 3.67 -8.64 -1.26 0
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48223 10538105 1 N2O4C11H18 A2B4C11D18 -154.73 4.3 -9.48 -0.57 0
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48224 10538113 1 O4C13H22 A4B13C22 -203.28 1.57 -9.8 0.88 0
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48225 10538115 1 O4C13H22 A4B13C22 -214.93 5.41 -10.83 0.22 0
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48226 10538123 2 OC8H9 AB8C9 -7.41 5.24 -9.83 0.34 0
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48227 10538128 1 ON2C15H18 AB2C15D18 1.48 2.65 -9.41 0.2 0
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48228 10538129 1 ON2C15H18 AB2C15D18 -21.76 6.09 -7.89 0.17 0
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48229 10538150 1 SiN2C14H18 AB2C14D18 18.64 1.96 -8.86 -0.54 0
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48230 10538151 1 O2C15H30 A2B15C30 -149.28 3.6 -9.74 1.95 0
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48231 10538152 1 O2S3C8H18 A2B3C8D18 -99.1 4.4 -8.1 -1.23 0
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48232 10538156 1 SiO2C13H26 AB2C13D26 -153.28 1.83 -8.82 1.05 0
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48233 10538159 1 ClN2O3C10H11 AB2C3D10E11 -42.19 10.5 -8.55 -1.96 0
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48234 10538164 1 ClSN4C9H11 ABC4D9E11 44.4 6.91 -8.7 -0.57 0
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48235 10538169 1 BrO2C10H11 AB2C10D11 -68.59 2.39 -9.7 -0.92 0
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48236 10538172 1 N3O5C9H13 A3B5C9D13 -178.22 1.32 -10.19 -0.68 0
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48237 10538175 3 NOH3C4 ABC3D4 10.57 0.94 -9.05 -1.3 0
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48238 10538177 1 NOF3C12H12 ABC3D12E12 -182.67 7.41 -9.19 -0.4 0
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48239 10538181 1 NO5C11H17 AB5C11D17 -232.43 1.53 -10.01 0.1 0
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48240 10538184 1 NO3H13C14 AB3C13D14 -94.59 3.26 -8.99 -1.25 0
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48241 10538186 1 LiNO2C14H22 ABC2D14E22 11.72 34.78 -5.07 -2.69 0
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48242 10538190 1 NSO2H9C13 ABC2D9E13 26.17 4.91 -9.19 -0.87 0
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48243 10538191 1 OSN3H9C12 ABC3D9E12 104.35 4.72 -8.64 -1.43 0
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48244 10538197 1 NO2C15H17 AB2C15D17 -67.57 6.44 -8.55 -0.18 0
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48245 10538211 3 NC5H7 AB5C7 45.11 2.25 -8.33 0.37 0
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48247 10538242 2 ON2C6H6 AB2C6D6 75.08 4.53 -9.14 -1.14 0
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48248 10538271 1 O4C13H24 A4B13C24 -230.61 3.36 -10.53 0.9 0
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48249 10538279 2 OC8H10 AB8C10 -35.01 4.1 -9.06 0.62 0
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48250 10538293 1 SiO3C12H24 AB3C12D24 -213.7 4.19 -9.01 0.64 0
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48251 10538316 1 N3O5C9H15 A3B5C9D15 -163.4 5.1 -9.78 -0.03 0
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48252 10538337 1 NO2C15H19 AB2C15D19 -57.97 2.41 -8.98 0.21 0
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48253 10538338 1 ON3C14H19 AB3C14D19 -16.08 3.26 -8.84 0.43 0
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48254 10538340 1 SO2N3C10H19 AB2C3D10E19 -37.39 2.22 -8.6 -0.44 0
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48255 10538362 1 PO4C11H19 AB4C11D19 -229.56 5.49 -9.18 0.38 0
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48256 10538364 1 FSO4C10H11 ABC4D10E11 -204.33 5.61 -10.66 -1.09 0
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48257 10538390 2 NOC7H9 ABC7D9 -51.44 2.31 -9.12 0.31 0
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48258 10538392 2 NOC7H9 ABC7D9 0.27 10.14 -8.88 -0.87 0
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48259 10538402 2 OC8H11 AB8C11 -99.56 3.31 -8.61 0.37 0
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48260 10538414 1 ClIO2C4H4 ABC2D4E4 -59.11 2.39 -9.98 -1.2 0
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48261 10538415 1 SiO2C13H30 AB2C13D30 -195.39 0.53 -8.8 1.34 0
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48262 10538452 1 NSO2C13H13 ABC2D13E13 -47.34 5.14 -9.09 -0.87 0
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48263 10538456 1 NO2C15H21 AB2C15D21 -87.84 2.67 -9.54 0.24 0
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48264 10538459 1 NO2C15H21 AB2C15D21 -58.99 5.42 -9.7 0.02 0
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48265 10538473 1 NOSiC14H21 ABCD14E21 -73.89 3.62 -9.4 0.05 0