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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221168 85257113 1 ON2H18C19 AB2C18D19 56.66 3.56 -9.28 -0.64 0
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221169 85257120 1 SiO3C16H22 AB3C16D22 -148.03 3.42 -9.5 0.06 0
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221170 85257121 1 OC20H34 AB20C34 -64.61 2.01 -8.9 0.92 0
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221171 85257122 1 ClO4H11C15 AB4C11D15 -128.08 2.76 -9.49 -1.07 0
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221174 85257134 1 NO3C17H25 AB3C17D25 -19.61 2.72 -8.85 0.49 0
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221175 85257135 1 NO3C17H25 AB3C17D25 -133.46 7.06 -9.23 -0.65 0
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221177 85257140 1 ClNO3C14H26 ABC3D14E26 -203.41 2.8 -9.65 0.71 0
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221178 85257141 1 ClNOC17H22 ABCD17E22 -37.29 4.17 -9.66 -0.56 0
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221179 85257143 1 IO2C10H13 AB2C10D13 -52.73 2.66 -8.83 -0.72 0
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221180 85257149 1 O5C16H20 A5B16C20 -181.93 8.81 -9.45 -0.46 0
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221181 85257160 1 ClIOH6C9 ABCD6E9 7.68 5.21 -9.84 -1.39 0
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221182 85257165 1 NO6C14H15 AB6C14D15 -55.36 3.84 -10.21 -0.92 0
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221183 85257168 1 N3O4C14H19 A3B4C14D19 -138.03 2.47 -9.44 -0.33 0
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221184 85257169 1 O2N3H15C17 A2B3C15D17 47.29 4.36 -9.28 -0.81 0
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221186 85257180 1 O3Cl4C8H8 A3B4C8D8 -143.3 1.57 -10.52 -0.77 1
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221187 85257183 1 NC15H20 AB15C20 10.13 2.34 0.0 0.0 0
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221188 85257188 1 N2O5C14H18 A2B5C14D18 -191.42 9.05 -9.77 -0.87 0
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221189 85257189 1 N2O3H14C17 A2B3C14D17 -29.23 1.36 -8.91 -1.01 0
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221190 85257191 1 F3O3C14H21 A3B3C14D21 -301.18 3.29 -9.98 0.2 0
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221191 85257193 1 ON6H14C15 AB6C14D15 100.88 4.36 -9.14 -1.01 0
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221192 85257198 1 O4C17H26 A4B17C26 -198.16 2.77 -9.45 0.05 0
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221193 85257201 1 H18C23 A18B23 95.31 1.59 -8.22 -0.73 0
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221194 85257205 2 NC10H13 AB10C13 37.23 1.87 -8.21 0.26 0
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221195 85257207 1 OSiC19H22 ABC19D22 23.12 3.0 -9.28 -0.5 0
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221196 85257208 1 SiO2C17H30 AB2C17D30 -104.1 2.11 -8.78 0.72 0
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221197 85257219 1 NO5C15H21 AB5C15D21 -153.97 0.9 -8.91 0.03 0
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221200 85257234 2 ON2C8H8 AB2C8D8 123.03 10.16 -8.5 -1.1 0
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221202 85257239 2 NOC9H10 ABC9D10 -58.77 6.75 -8.9 -0.56 0
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221203 85257242 1 O4C17H28 A4B17C28 -210.83 1.91 -9.69 0.13 0
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221204 85257245 1 N2O3C16H28 A2B3C16D28 -171.27 1.67 -9.57 0.36 0
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221205 85257254 3 NO2C4H5 AB2C4D5 -209.33 2.52 -10.38 -1.03 1
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221206 85257258 1 O4N5C12H20 A4B5C12D20 -76.9 9.38 0.0 0.0 0
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221207 85257261 1 OSN5H11C14 ABC5D11E14 114.74 9.81 -8.16 -1.7 0
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221208 85257263 1 NO3C18H19 AB3C18D19 -49.4 2.33 -8.87 0.04 0
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221211 85257275 2 NO2C8H8 AB2C8D8 -124.55 3.64 -10.01 -0.44 0
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221212 85257278 1 PO4C15H23 AB4C15D23 -219.81 5.84 -8.78 0.42 0
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221213 85257280 1 O6C15H22 A6B15C22 -273.08 2.93 -10.19 -0.34 0
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221214 85257282 1 N2O3C17H18 A2B3C17D18 -55.57 9.08 -8.78 -0.44 0
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221215 85257293 1 OC21H30 AB21C30 -76.17 4.13 -8.84 0.79 0
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221216 85261529 1 SiO2C35H58 AB2C35D58 -210.73 3.04 -9.11 0.44 0
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221217 85261530 2 ClSN2O3C9H18 ABC2D3E9F18 -321.21 30.86 -7.8 -1.82 0
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221218 85261531 1 N5O6H25C29 A5B6C25D29 -6.27 9.11 -9.13 -1.92 0
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221219 85261532 1 SF3N3O5C25H28 AB3C3D5E25F28 -230.14 7.14 -9.12 -1.44 1
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221221 85261534 1 N5O6C28H37 A5B6C28D37 -234.73 2.48 -9.11 -0.15 0
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221222 85261554 1 SN4O6C26H44 AB4C6D26E44 -303.07 4.72 -9.46 -0.48 0
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221223 85261557 1 BrPN2O5C24H34 ABC2D5E24F34 -279.05 6.8 -9.17 -0.3 0
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221224 85261566 1 BrSi2O3C26H45 AB2C3D26E45 -228.7 5.41 -8.33 0.0 2
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221225 85261586 1 ON2C31H56 AB2C31D56 73.17 2.93 -1.95 -0.71 0
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221226 85261588 1 SiN3O8C25H45 AB3C8D25E45 -425.86 4.03 -8.88 -0.33 0
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221227 85261589 1 NO2Si2C32H57 AB2C2D32E57 -246.97 1.13 -8.7 0.29 0
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221228 85261592 1 PS2N6O7C19H25 AB2C6D7E19F25 -294.2 8.75 -9.79 -1.52 0
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221229 85261598 1 O7C32H48 A7B32C48 -279.9 3.7 -8.41 0.22 0
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221230 85261599 1 N2O6C31H48 A2B6C31D48 -324.12 3.75 -8.68 -0.07 0
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221231 85261606 1 NPO3H32C35 ABC3D32E35 -30.96 6.44 -9.07 -0.22 0
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221232 85261609 1 ClNO7C28H48 ABC7D28E48 -357.7 11.11 -7.95 0.13 0
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221233 85261613 1 Cl2N3O5C27H29 A2B3C5D27E29 -196.17 4.39 -8.62 -1.47 0
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221234 85261617 1 SN2O4H28C33 AB2C4D28E33 -18.2 4.64 -8.71 -0.81 0
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221235 85261618 1 O7C33H38 A7B33C38 -222.93 1.79 -8.99 0.07 0
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221236 85261622 1 N2O3C36H38 A2B3C36D38 -37.68 4.19 -9.19 0.15 0
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221237 85261623 2 NO2C17H23 AB2C17D23 -136.65 3.03 -8.68 -0.32 0
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221238 85261629 1 BrN4H31C32 AB4C31D32 149.83 3.54 -8.61 -0.19 0
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221239 85261630 1 N5O6C29H33 A5B6C29D33 -178.39 6.32 -9.11 -0.34 0
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221240 85261631 1 N5O6C29H33 A5B6C29D33 -154.91 5.33 -9.4 -0.51 0
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221241 85261636 1 N3O6C30H49 A3B6C30D49 -338.31 5.39 -9.35 0.35 0
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221242 85261637 1 HgCl2O2C18H28 AB2C2D18E28 -57.28 5.82 -9.35 -0.62 0
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221243 85261639 1 SN2O6C30H32 AB2C6D30E32 -193.39 3.67 -8.74 -0.66 0
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221244 85261642 1 Si2O7C28H44 A2B7C28D44 -365.7 6.27 -9.3 -0.22 0
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221245 85261652 1 O7H30C34 A7B30C34 -173.58 9.16 -8.81 -1.24 0
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221246 85261655 1 O5N6C24H38 A5B6C24D38 -208.04 4.7 -9.33 -0.06 0
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221247 85261656 1 O5C36H38 A5B36C38 -74.85 4.22 -8.68 0.06 0
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221248 85261683 1 ClSO5N6H21C25 ABC5D6E21F25 -57.76 8.69 -9.51 -1.22 0
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221249 85261691 1 NSSiO5C30H39 ABCD5E30F39 -212.84 2.13 -9.01 -0.5 0
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221250 85261695 1 O5N6C18H24 A5B6C18D24 -183.09 5.73 -9.1 -0.46 0
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221251 85261701 1 NSCl3O6C23H30 ABC3D6E23F30 -271.6 6.83 -9.97 -0.69 0
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221252 85261702 1 SiO3C35H58 AB3C35D58 -245.63 2.24 -8.72 0.17 0