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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399215 135038781 2 O2C6H7 A2B6C7 -151.43 4.66 -9.96 -0.85 0
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399216 135038806 4 OC2H4 AB2C4 -205.81 4.77 -10.61 0.61 0
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399217 135038830 1 ISN2C15H15 ABC2D15E15 70.98 3.56 -8.58 -1.08 0
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399218 135038832 1 NO2C13H27 AB2C13D27 -133.09 3.31 -8.67 2.06 0
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399219 135038836 1 BrNC17H32 ABC17D32 -47.73 3.2 -8.85 0.12 0
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399220 135038845 2 O3C7H10 A3B7C10 -268.32 2.42 -9.38 -0.7 0
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399221 135038849 1 SN3C8H19 AB3C8D19 0.0 5.44 -8.56 0.92 0
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399222 135038855 1 SN2O2C9H10 AB2C2D9E10 -57.63 3.13 -8.99 -1.05 0
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399223 135038876 1 BrClC17H20 ABC17D20 12.13 3.12 -9.07 -0.3 1
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399224 135038907 1 NC8H14 AB8C14 9.62 2.31 0.0 0.0 0
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399225 135038910 1 FNO3H10C13 ABC3D10E13 -117.97 6.88 -9.26 -0.87 0
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399226 135038921 2 LiH8C9 AB8C9 159.7 16.96 -5.18 -1.18 0
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399227 135038926 1 NOH13C17 ABC13D17 51.7 4.46 -8.71 -0.92 0
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399228 135038928 1 O2N3C12H15 A2B3C12D15 -34.62 6.16 -8.68 0.32 0
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399229 135038929 1 SN2H12C14 AB2C12D14 70.12 1.78 -8.55 -0.45 0
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399230 135038936 1 O2C14H25 A2B14C25 -100.41 3.32 0.0 0.0 0
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399231 135038961 6 OC2H4 AB2C4 -267.43 2.08 -9.84 0.75 0
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399232 135038962 2 C4H7 A4B7 -16.97 0.12 -10.6 3.82 0
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399233 135038968 1 FNSO4H8C11 ABCD4E8F11 -150.17 8.78 -9.63 -1.24 0
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399234 135038975 1 SN2O2C12H14 AB2C2D12E14 -27.52 3.39 -8.49 -0.33 0
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399235 135038978 1 O5C15H22 A5B15C22 -218.83 1.26 -9.7 -0.02 0
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399236 135038985 1 NOC12H19 ABC12D19 -74.4 4.77 -9.37 1.12 0
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399237 135038988 1 NPC3O3H4 ABC3D3E4 -122.87 5.96 -10.16 -0.3 0
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399238 135038990 1 ClO2C12H13 AB2C12D13 -17.98 2.66 -9.63 -0.07 0
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399239 135039036 1 NO2C17H23 AB2C17D23 -49.84 3.09 -9.08 0.47 0
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399240 135039044 1 O3H10C16 A3B10C16 -8.76 1.74 -9.46 -1.23 0
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399241 135039050 1 OSC17H22 ABC17D22 2.59 3.94 -8.61 -0.41 0
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399242 135039072 1 FO3H13C15 AB3C13D15 -119.31 2.93 -9.19 -0.36 -1
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399243 135039081 1 O5C14H23 A5B14C23 -145.3 4.6 0.0 0.0 0
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399244 135039102 1 O6C13H14 A6B13C14 -202.61 4.15 -9.65 -0.95 1
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399245 135039106 1 ON3C11H14 AB3C11D14 36.18 3.4 0.0 0.0 0
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399246 135039119 1 O4C13H20 A4B13C20 -109.58 4.75 -10.24 -1.26 0
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399247 135039126 1 ClNSO4C13H16 ABCD4E13F16 -101.21 4.73 -9.36 -0.87 0
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399248 135039134 1 NOC10H19 ABC10D19 -85.99 4.02 -9.51 1.36 0
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399249 135039145 1 NO6C9H17 AB6C9D17 -275.33 5.42 -10.07 0.69 0
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399251 135039171 1 O5C15H16 A5B15C16 -156.28 4.44 -9.16 -0.18 0
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399252 135039178 1 N2O2C15H18 A2B2C15D18 22.94 6.33 -8.75 -0.32 0
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399253 135039180 3 OC3H4 AB3C4 -96.23 2.67 -10.62 0.25 0
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399254 135039184 1 OSC13H26 ABC13D26 -105.13 1.74 -8.7 0.47 0
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399255 135039186 1 NSO3C12H17 ABC3D12E17 -102.34 5.47 -9.81 -0.55 0
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399256 135039190 2 NOH6C7 ABC6D7 2.18 3.02 -8.56 -0.78 0
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399257 135039202 1 N2C15H22 A2B15C22 13.88 1.52 -8.72 -0.12 0
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399258 135039204 1 OSiC12H26 ABC12D26 -92.88 1.46 -8.84 0.93 0
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399260 135039219 1 O5C14H20 A5B14C20 -201.98 2.19 -9.36 0.31 0
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399261 135039225 1 ClN2O2C14H17 AB2C2D14E17 -5.99 5.79 -8.84 -0.46 0
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399262 135039227 1 IN2O2H13C14 AB2C2D13E14 9.58 5.48 -8.66 -1.05 0
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399263 135039234 1 O3C11H14 A3B11C14 -85.53 2.44 -8.39 0.06 0
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399264 135039235 1 O3C17H26 A3B17C26 -124.94 2.21 -9.66 0.04 0
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399265 135039237 1 O2C13H14 A2B13C14 -68.37 5.22 -9.36 -0.49 -1
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399266 135039247 1 O2H13C14 A2B13C14 1.53 1.44 0.0 0.0 0
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399267 135039259 1 O3C14H16 A3B14C16 -81.9 2.89 -9.38 1.02 0
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399268 135039264 1 NSO6C23H23 ABC6D23E23 -188.46 5.57 -9.22 -1.42 0
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399269 135039267 1 NO3C13H15 AB3C13D15 -108.7 4.32 -9.66 0.08 0
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399270 135039287 1 NOSSiC10H21 ABCDE10F21 -101.45 5.54 -8.55 -0.27 0
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399271 135039288 1 ClNO3C13H14 ABC3D13E14 -118.24 4.26 -9.57 -0.32 0
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399272 135039289 2 NO3C12H14 AB3C12D14 -150.9 5.9 -9.51 -0.55 0
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399273 135039292 1 NC18H23 AB18C23 30.0 1.38 -8.66 0.38 0
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399274 135039308 1 O2C15H24 A2B15C24 -110.09 3.84 -9.32 0.25 0
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399275 135039314 1 NOH7C10 ABC7D10 37.77 3.6 -9.72 -1.12 0
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399276 135039328 1 BrNCl2O2C9H16 ABC2D2E9F16 -91.52 4.81 -9.66 -0.43 0
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399277 135039340 1 OC17H24 AB17C24 -25.39 1.75 -9.51 0.22 0
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399278 135039348 1 CsO2C7H11 AB2C7D11 -85.66 4.2 -7.05 0.68 0
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399279 135039365 1 ClNSH14C16 ABCD14E16 45.81 3.32 -8.45 -0.37 0
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399280 135039388 1 NSC17H17 ABC17D17 52.74 1.43 -8.42 -0.01 0
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399281 135039389 1 NO2C10H17 AB2C10D17 -65.9 2.92 -9.9 0.7 0
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399282 135039393 2 O3C7H10 A3B7C10 -234.61 2.13 -9.63 -0.72 0
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399283 135039396 1 ON2H12C15 AB2C12D15 70.71 6.12 -8.92 -1.01 -1
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399284 135039399 1 NC16H16 AB16C16 75.68 1.67 0.0 0.0 0
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399285 135039401 1 NOC13H21 ABC13D21 -42.73 0.99 -8.13 0.52 0
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399286 135039402 1 O3C13H16 A3B13C16 -118.76 4.15 -9.62 0.04 0
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399287 135039407 1 O4C9H14 A4B9C14 -175.35 3.06 -9.84 0.06 0
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399288 135039425 1 CsOC6H11 ABC6D11 -59.1 12.94 -6.07 -0.26 0
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399289 135039426 1 OC6H12 AB6C12 -54.73 2.34 -9.8 1.06 0
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399290 135039433 1 SiO4C13H28 AB4C13D28 -246.31 3.07 -8.96 0.43 0
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399291 135039437 1 IO3C7H11 AB3C7D11 -105.18 2.84 -10.11 -1.2 -1