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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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26158 639231 1 NO4H15C20 AB4C15D20 -64.41 1.13 -8.33 -0.79 0
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26159 639237 1 N3O3C12H19 A3B3C12D19 -45.31 6.74 -8.71 -0.11 0
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26160 639240 1 NS2H15C16 AB2C15D16 67.37 1.36 -8.68 -0.86 0
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26161 639296 1 N4H6C9 A4B6C9 104.93 0.38 -9.63 -1.45 0
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26162 639322 1 O3C20H34 A3B20C34 -146.84 1.28 -9.14 1.07 0
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26163 639419 1 N3H9C11 A3B9C11 78.53 4.96 -8.55 -0.48 0
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26164 639506 1 NH11C13 AB11C13 70.11 1.49 -8.96 -0.63 0
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26165 639744 1 N3O6C18H19 A3B6C18D19 -139.9 12.15 -9.24 -1.41 0
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26166 639747 4 HOC2 ABC2 -122.02 6.07 -10.33 -1.83 0
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26167 639787 1 NO6C15H19 AB6C15D19 -255.73 4.23 -8.9 -0.72 0
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26168 639788 1 SO7C19H24 AB7C19D24 -293.02 4.1 -8.94 0.19 0
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26169 639827 1 N7O17C52H69 A7B17C52D69 -727.8 14.69 -8.98 -0.54 1
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26170 639862 1 SN2O2C19H19 AB2C2D19E19 -11.79 4.24 0.0 0.0 0
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26171 640003 2 C7H8 A7B8 24.87 0.56 -8.7 0.46 0
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26172 640043 1 N3O6H13C18 A3B6C13D18 -41.03 12.82 -9.39 -2.0 0
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26173 640044 1 NSO2H11C13 ABC2D11E13 -26.93 4.52 -8.75 -0.9 0
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26174 640059 1 N6O7C21H38 A6B7C21D38 -362.88 4.16 -10.02 0.24 0
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26175 640096 2 O2H6C7 A2B6C7 -128.02 4.07 -8.88 -0.52 0
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26176 640097 1 SO6H16C22 AB6C16D22 -157.31 9.69 -8.67 -1.07 0
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26177 640098 1 O3C16H16 A3B16C16 -81.79 6.68 -8.7 -0.8 0
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26178 640123 2 O2H10C11 A2B10C11 -98.54 5.01 -9.26 -0.2 0
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26179 640149 1 BrO3H15C16 AB3C15D16 -55.11 5.34 -8.95 -0.54 0
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26180 640151 2 O2C5H7 A2B5C7 -141.81 2.15 -8.67 -0.08 0
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26181 640208 1 NO4C12H21 AB4C12D21 -201.5 3.68 -9.21 0.46 0
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26182 640212 1 SO4C17H20 AB4C17D20 -134.72 6.57 -8.6 -0.64 0
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26183 640217 1 ClN4H13C19 AB4C13D19 119.41 9.79 -8.04 -0.72 0
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26184 640592 1 BrH9C11 AB9C11 31.53 2.86 -8.94 -0.67 0
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26185 640593 1 BrH9C11 AB9C11 32.3 2.21 -8.93 -0.65 0
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26186 640595 1 BrOH13C17 ABC13D17 27.45 3.05 -8.75 -0.74 0
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26187 640635 1 SO3H12C18 AB3C12D18 -19.3 1.67 -8.48 -1.14 0
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26188 640647 2 OH5C7 AB5C7 -36.36 0.81 -8.55 -0.69 0
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26189 640648 2 OH7C8 AB7C8 -27.77 1.56 -8.29 -0.47 0
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26190 640687 1 OC11H12 AB11C12 -30.78 3.06 -9.42 0.17 0
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26191 640688 1 OC11H12 AB11C12 -29.98 3.64 -9.63 -0.42 0
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26192 640689 1 OC12H14 AB12C14 -34.26 3.54 -9.62 -0.41 0
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26193 640713 1 OSN2Cl3H5C9 ABC2D3E5F9 -1.26 4.35 -9.49 -1.3 0
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26194 640714 1 NSSiC12H13 ABCD12E13 54.84 2.06 -8.94 -0.83 0
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26195 640756 2 OC8H9 AB8C9 34.64 0.49 -8.21 -0.62 0
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26196 640804 1 BrClNO2H11C12 ABCD2E11F12 -37.39 6.15 -8.99 -0.85 0
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26197 640805 1 ClNO6C10H14 ABC6D10E14 -216.67 1.53 -9.8 -1.46 0
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26198 640823 1 Cl2O2H3N3C4 A2B2C3D3E4 24.56 4.64 -10.09 -1.62 0
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26199 640972 1 NOC11H11 ABC11D11 4.54 2.78 -8.73 -0.57 0
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26200 640987 1 N2O3H16C19 A2B3C16D19 -15.89 12.37 -7.94 -1.58 0
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26201 641041 1 OCl2C4H8 AB2C4D8 -81.67 1.65 -10.77 0.34 0
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26202 641064 1 FN2O5H23C24 AB2C5D23E24 -183.36 7.54 -9.61 -1.0 0
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26203 641065 1 FN2O4C11H15 AB2C4D11E15 -195.86 6.05 -9.83 -0.33 0
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26204 641066 1 FN2O4C12H17 AB2C4D12E17 -204.44 6.03 -9.3 -0.07 0
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26205 641068 1 ClSN2O3H15C18 ABC2D3E15F18 -42.49 2.87 -8.96 -1.1 0
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26206 641070 1 ClSN2O3H15C18 ABC2D3E15F18 -49.98 4.07 -8.93 -1.12 0
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26207 641093 1 N2O2H8C9 A2B2C8D9 -20.96 4.66 -8.91 -0.86 0
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26208 641097 1 NH11C13 AB11C13 70.22 2.5 -9.06 -0.67 0
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26209 641099 1 N3H17C20 A3B17C20 150.1 2.75 -9.66 -0.01 0
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26210 641100 1 NC6H13 AB6C13 -21.52 1.9 -8.85 3.31 0
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26211 641102 1 NC7H15 AB7C15 -27.85 1.93 -8.79 3.28 0
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26212 641103 1 NO2C8H15 AB2C8D15 -100.93 3.17 -8.84 0.72 0
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26213 641104 1 NOC7H15 ABC7D15 -63.71 2.95 -8.69 2.41 0
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26214 641123 1 NCl2O2H9C10 AB2C2D9E10 -49.83 6.16 -8.7 -1.94 0
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26215 641125 1 O2Cl3C6H7 A2B3C6D7 -89.75 6.17 -10.19 -0.92 0
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26216 641127 1 O2Cl3C7H9 A2B3C7D9 -93.77 5.64 -9.65 -0.91 0
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26217 641129 1 O2Cl3C7H7 A2B3C7D7 -91.25 4.63 -9.87 -0.98 0
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26218 641147 2 ClOC3H4 ABC3D4 -101.49 1.23 -10.02 -0.86 0
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26219 641162 1 ClH7C10 AB7C10 66.52 2.75 -8.34 -1.12 0
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26220 641249 1 C3O4H8 A3B4C8 -193.36 1.53 -10.76 1.5 0
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26221 641319 1 F2O2H10C11 A2B2C10D11 -146.67 1.96 -9.85 -1.02 0
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26222 641338 1 ClNSO4C11H18 ABCD4E11F18 -190.48 8.55 -10.08 -0.87 0
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26223 641387 2 SSeC3N3H4 ABC3D3E4 135.16 6.23 -8.89 -2.19 0
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26224 641407 1 O2C11H14 A2B11C14 -79.82 1.87 -9.46 0.34 0
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26225 641408 2 O2C7H8 A2B7C8 -134.25 3.03 -9.66 0.07 0
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26226 641415 1 O3C13H18 A3B13C18 -121.62 3.54 -9.22 0.5 0
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26227 641417 1 O3H14C16 A3B14C16 2.89 3.6 -9.8 -0.85 0
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26228 641436 2 OC5H7 AB5C7 -74.91 1.56 -8.82 0.41 0
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26229 641490 1 OBr2S2C6H6 AB2C2D6E6 5.05 4.5 -8.38 -0.52 0
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26230 641516 1 NOC8H17 ABC8D17 -74.19 2.83 -8.9 2.39 0
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26231 641518 1 NO2C6H11 AB2C6D11 -105.05 6.05 -10.2 0.94 0
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26232 641519 1 NOC8H17 ABC8D17 -73.68 2.4 -8.82 2.41 0