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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39903 8143175 1 O3N5C19H28 A3B5C19D28 -91.6 8.75 0.0 0.0 0
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39904 8143176 1 O3N5C19H27 A3B5C19D27 -106.42 8.87 -8.93 -0.36 0
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39905 8143177 1 ON2C22H28 AB2C22D28 0.2 5.28 -9.1 0.17 0
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39906 8143178 1 ON2C22H28 AB2C22D28 -7.23 3.62 -9.16 0.11 0
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39907 8143180 1 O3N5C23H27 A3B5C23D27 -70.92 8.17 -9.19 -0.59 0
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39908 8143181 1 ClNF3O3H17C18 ABC3D3E17F18 -253.9 1.49 -8.84 -0.41 0
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39909 8143182 1 ClNF3O3H17C18 ABC3D3E17F18 -253.74 3.85 -9.04 -0.37 0
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39910 8143185 1 ON3C15H25 AB3C15D25 -38.06 3.9 -9.07 0.62 1
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39911 8143191 1 O3N5C19H28 A3B5C19D28 -79.24 6.43 0.0 0.0 1
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39912 8143194 1 O3N5C20H30 A3B5C20D30 -97.5 12.0 0.0 0.0 0
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39913 8143195 1 O3N5C20H29 A3B5C20D29 -118.4 6.27 -9.21 -0.61 0
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39914 8143197 1 FO2N4C22H25 AB2C4D22E25 -78.47 8.06 -9.29 -0.97 0
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39915 8143200 1 PN2O3C22H27 AB2C3D22E27 -154.57 3.87 -8.79 0.02 1
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39916 8143201 1 N4O4C19H21 A4B4C19D21 -2.33 3.19 0.0 0.0 0
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39917 8143202 1 N4O4C19H20 A4B4C19D20 -18.84 6.51 -9.34 -1.5 1
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39918 8143209 1 ClO2N3C19H21 AB2C3D19E21 -6.23 8.72 0.0 0.0 0
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39919 8143210 1 ClO2N3C19H20 AB2C3D19E20 -20.15 5.78 -9.23 -0.74 0
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39920 8143213 1 N5O5H11C15 A5B5C11D15 34.9 9.2 -9.46 -2.1 1
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39921 8143214 1 O2N3C20H24 A2B3C20D24 -6.85 8.85 0.0 0.0 0
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39922 8143215 1 O2N3C20H23 A2B3C20D23 -21.25 8.43 -9.04 -0.44 1
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39923 8143216 1 O3N5C22H30 A3B5C22D30 -45.95 5.34 0.0 0.0 0
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39924 8143217 1 O3N5C22H29 A3B5C22D29 -63.36 11.17 -8.97 -0.4 1
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39925 8143219 1 ClO2N4C22H22 AB2C4D22E22 24.33 10.0 0.0 0.0 0
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39926 8143220 1 ClO2N4H21C22 AB2C4D21E22 8.24 6.42 -9.4 -1.18 0
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39927 8143221 1 N2O3C11H16 A2B3C11D16 -116.43 6.15 -10.11 -1.1 0
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39928 8143223 1 SO3N4C20H20 AB3C4D20E20 18.23 8.46 -9.3 -1.33 0
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39929 8143224 2 NO2C12H16 AB2C12D16 -119.29 3.71 -8.16 -0.55 -1
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39930 8143225 1 N2O3H19C20 A2B3C19D20 -35.53 9.58 0.0 0.0 1
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39931 8143226 1 O3N4C22H23 A3B4C22D23 24.45 8.57 0.0 0.0 0
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39932 8143227 1 O3N4C22H22 A3B4C22D22 12.53 9.94 -9.2 -1.0 0
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39933 8143228 1 ON2C25H30 AB2C25D30 -6.2 2.15 -8.17 -0.18 1
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39934 8143229 1 O4N5C21H24 A4B5C21D24 -78.39 5.26 0.0 0.0 0
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39935 8143230 1 O4N5C21H23 A4B5C21D23 -101.8 2.21 -9.06 -0.76 1
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39936 8143231 1 O3N4C17H21 A3B4C17D21 -11.18 7.77 0.0 0.0 0
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39937 8143232 1 O3N4C17H20 A3B4C17D20 -27.51 6.63 -9.11 -0.54 0
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39938 8143233 1 SN2C24H26 AB2C24D26 59.77 2.83 -8.18 -0.22 0
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39939 8143234 2 ON3C5H6 AB3C5D6 52.77 6.85 -9.01 -0.73 0
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39940 8143235 1 OSCl2N2H14C20 ABC2D2E14F20 44.17 0.89 -8.73 -1.74 0
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39941 8143237 1 O4N5C18H25 A4B5C18D25 -135.79 8.83 -8.91 -0.34 0
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39942 8143238 1 OSCl2N2H12C19 ABC2D2E12F19 53.66 0.56 -8.69 -1.74 1
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39943 8143239 1 O3N6C20H27 A3B6C20D27 -35.75 12.13 0.0 0.0 1
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39944 8143241 1 O4N5C19H28 A4B5C19D28 -124.47 7.25 0.0 0.0 0
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39945 8143242 1 O4N5C19H27 A4B5C19D27 -147.77 8.2 -8.91 -0.35 0
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39946 8143244 1 SN3O3H19C20 AB3C3D19E20 -31.32 5.93 -9.22 -1.35 1
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39947 8143245 1 FO3N4C22H26 AB3C4D22E26 -97.77 5.66 0.0 0.0 0
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39948 8143247 1 SN3H21C25 AB3C21D25 120.52 2.87 -8.33 -1.09 0
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39949 8143248 1 ClSN4H11C16 ABC4D11E16 134.07 4.43 -8.53 -1.08 0
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39950 8143250 1 O3N5C23H29 A3B5C23D29 -56.75 7.78 -8.28 -0.89 1
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39951 8143252 1 O4N5C19H28 A4B5C19D28 -123.32 9.14 0.0 0.0 1
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39952 8143257 1 N4O4C23H25 A4B4C23D25 -50.43 5.86 0.0 0.0 0