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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293300 117383600 1 O5C13H16 A5B13C16 -179.65 7.35 -9.52 -0.96 0
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293301 117383614 2 NO2C6H8 AB2C6D8 -168.74 5.28 -9.29 -0.32 0
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293302 117383695 1 FO3C14H17 AB3C14D17 -143.88 2.99 -8.71 -0.04 0
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293303 117383701 1 FO3C14H17 AB3C14D17 -140.39 1.82 -9.15 -0.31 0
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293304 117383717 1 FO3C14H17 AB3C14D17 -151.19 3.11 -9.71 -0.24 0
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293305 117383769 1 FO3C14H17 AB3C14D17 -168.6 2.76 -9.05 -0.17 0
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293306 117383799 1 FO3C14H17 AB3C14D17 -176.63 7.78 -9.55 -0.55 0
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293307 117383898 2 O2C7H10 A2B7C10 -171.96 6.97 -8.54 -0.01 0
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293308 117383931 2 O2C7H10 A2B7C10 -153.26 2.76 -8.79 -0.02 0
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293309 117383986 2 O2C7H10 A2B7C10 -182.15 3.8 -9.12 -0.14 0
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293310 117384061 2 O2C7H10 A2B7C10 -169.38 5.81 -8.86 0.1 0
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293311 117384142 1 O2H16C17 A2B16C17 -37.49 4.95 -9.47 -0.4 0
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293312 117384146 1 N2O3C13H20 A2B3C13D20 -49.09 3.93 -8.6 0.07 0
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293313 117384153 1 N2O3C13H20 A2B3C13D20 -108.59 5.57 -8.82 -0.27 0
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293314 117384163 1 N2O3C13H20 A2B3C13D20 -94.94 3.95 -8.63 0.05 0
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293315 117384167 1 N2O3C13H20 A2B3C13D20 -121.96 4.97 -8.58 0.1 0
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293316 117384207 1 ON2C16H16 AB2C16D16 6.53 3.71 -9.24 -0.86 0
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293317 117384211 1 ON2C16H16 AB2C16D16 30.07 3.27 -9.33 -1.0 0
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293318 117384271 1 SO3C13H16 AB3C13D16 -103.87 7.41 -8.88 -0.59 0
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293319 117384272 1 SO3C13H16 AB3C13D16 -105.28 4.84 -9.14 -0.59 0
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293320 117384341 1 FON2C14H21 ABC2D14E21 -73.42 2.38 -8.6 0.3 0
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293321 117384361 1 FON2C14H21 ABC2D14E21 -73.14 2.77 -8.8 0.06 0
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293322 117384386 1 FON2C14H21 ABC2D14E21 -83.42 3.67 -8.68 -0.07 0
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293323 117384402 1 FON2C14H21 ABC2D14E21 -65.98 1.86 -8.68 0.1 0
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293324 117384415 1 FON2C14H21 ABC2D14E21 -75.91 1.65 -9.22 -0.1 0
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293325 117384418 1 FON2C14H21 ABC2D14E21 -58.72 0.42 -8.7 0.1 0
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293326 117384430 1 FON2C14H21 ABC2D14E21 -85.17 4.36 -8.54 0.18 0
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293327 117384562 1 ClO2F3H8C10 AB2C3D8E10 -231.01 4.03 -9.85 -0.97 0
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293328 117384637 1 ClN2O3H9C11 AB2C3D9E11 -45.19 6.37 -8.72 -1.98 0
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293329 117384654 1 ClFSO3C9H10 ABCD3E9F10 -157.27 5.02 -9.41 -1.03 0
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293330 117384671 1 ClO3C13H13 AB3C13D13 -95.82 4.59 -9.87 -1.32 0
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293331 117384754 1 ClN2O2C12H13 AB2C2D12E13 -18.78 2.59 -8.69 -0.44 0
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293332 117384761 1 ClN2O2C12H13 AB2C2D12E13 -10.9 1.12 -9.22 -0.99 0
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293333 117384897 1 ClO2C14H17 AB2C14D17 -44.55 2.38 -8.84 -0.22 0
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293334 117384950 1 ClOC15H21 ABC15D21 -58.19 3.36 -9.42 -0.17 0
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293335 117384967 1 ClN2C14H21 AB2C14D21 -6.57 1.73 -8.88 0.12 0
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293336 117385002 1 ClN2C14H21 AB2C14D21 17.46 1.51 -8.85 -0.04 0
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293337 117385007 1 ClN2C14H21 AB2C14D21 -2.43 3.19 -8.51 0.02 0
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293338 117385008 1 ClN2C14H21 AB2C14D21 2.41 3.46 -8.64 -0.06 0
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293339 117385014 1 ClN2C14H21 AB2C14D21 11.39 2.45 -8.9 -0.02 0
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293340 117385018 1 BNO6C10H12 ABC6D10E12 -286.6 4.51 -9.1 -0.65 0
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293341 117385021 1 BrF2O2H7C8 AB2C2D7E8 -158.19 1.51 -9.59 -0.92 0
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293342 117385055 1 BrOC12H13 ABC12D13 -14.45 3.45 -9.52 -0.25 0
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293343 117385099 1 FNO5H8C11 ABC5D8E11 -160.15 6.54 -9.51 -1.52 0
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293344 117385107 1 FNO5H8C11 ABC5D8E11 -156.96 6.99 -9.3 -1.52 0
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293345 117385175 1 F2O2N3H9C11 A2B2C3D9E11 -109.62 4.11 -9.11 -1.11 0
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293346 117385183 1 F2O2N3H9C11 A2B2C3D9E11 -106.59 9.92 -9.65 -1.37 0
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293347 117385201 1 FNO4C12H12 ABC4D12E12 -155.45 2.38 -9.02 -0.69 0
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293348 117385229 1 FN3O3C11H12 AB3C3D11E12 -69.26 5.56 -8.73 -0.81 0
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293349 117385233 1 FN3O3C11H12 AB3C3D11E12 -73.09 4.6 -9.32 -0.37 0