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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396249 135027868 1 SCl2N2C20H20 AB2C2D20E20 53.45 4.17 -8.06 -0.39 0
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396250 135027869 3 OH6C7 AB6C7 -54.43 1.36 -8.65 -0.12 0
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396251 135027872 1 ClSiH20C21 ABC20D21 75.63 1.32 0.0 0.0 1
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396252 135027873 1 IrPN2C29H33 ABC2D29E33 221.71 20.41 0.0 0.0 0
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396253 135027874 2 NO2C12H17 AB2C12D17 -162.34 4.34 -8.69 0.54 0
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396254 135027875 1 NSO6C17H21 ABC6D17E21 -212.84 7.9 -10.03 -0.9 0
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396255 135027876 1 O6H14C19 A6B14C19 -148.21 4.91 -9.27 -0.62 0
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396256 135027877 1 SO3C5H8 AB3C5D8 -117.22 3.89 -8.95 -1.28 1
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396257 135027878 1 ON5C8H12 AB5C8D12 23.22 1.8 0.0 0.0 0
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396259 135027881 1 PN2O5C21H35 AB2C5D21E35 -293.28 3.6 -9.01 0.18 0
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396260 135027882 1 O3C16H18 A3B16C18 -95.93 3.07 -8.41 -0.78 0
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396261 135027883 2 OC4H6 AB4C6 -55.42 1.66 -10.9 0.67 0
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396262 135027884 1 N3H21C23 A3B21C23 123.47 4.89 -8.93 -0.32 0
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396263 135027885 1 N3C18H25 A3B18C25 36.72 5.31 -9.51 -0.17 0
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396264 135027886 1 O4C13H18 A4B13C18 -139.31 2.77 -9.36 0.31 0
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396265 135027888 1 NO2C14H17 AB2C14D17 -41.87 4.98 -8.71 -0.14 0
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396266 135027889 1 O7H20C26 A7B20C26 -173.83 7.57 -8.99 -0.96 0
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396267 135027890 2 O4H10C13 A4B10C13 -215.13 9.31 -9.03 -1.22 0
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396268 135027891 2 O3H10C13 A3B10C13 -138.51 8.22 -8.3 -0.96 0
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396269 135027893 1 NO8H17C21 AB8C17D21 -189.33 6.96 -8.86 -1.32 0
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396270 135027895 1 NOF3H14C17 ABC3D14E17 -102.08 2.54 -8.89 -1.11 0
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396271 135027896 1 O2N3H21C24 A2B3C21D24 2.16 2.14 -8.78 -1.02 0
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396272 135027897 1 ClO2C12H19 AB2C12D19 -122.8 6.57 -9.71 0.73 0
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396273 135027899 1 NO2C25H27 AB2C25D27 -7.16 7.65 -8.33 -0.13 -1
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396274 135027900 1 O2C14H15 A2B14C15 -37.22 7.01 0.0 0.0 0
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396275 135027901 2 OC7H8 AB7C8 -53.63 4.76 -8.0 0.14 0
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396277 135027905 1 IO2C8H11 AB2C8D11 -81.77 3.9 -10.14 -1.36 0
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396278 135027906 1 O2C29H34 A2B29C34 -31.02 2.84 -8.6 -0.33 0
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396279 135027907 1 O2C25H26 A2B25C26 -19.95 3.53 -8.41 -0.06 0
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396280 135027910 1 O2C25H26 A2B25C26 -7.15 2.08 -8.79 -0.3 0
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396281 135027912 1 ClO2H17C21 AB2C17D21 5.12 2.55 -9.01 -0.63 0
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396282 135027915 1 IN2O3H15C18 AB2C3D15E18 -59.22 7.08 -8.87 -1.27 0
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396284 135027919 1 N7O10C46H65 A7B10C46D65 -443.62 5.65 -8.35 0.04 0
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396285 135027922 1 N6H12C13 A6B12C13 106.35 2.68 -8.84 -1.07 0
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396286 135027925 1 NO3C22H29 AB3C22D29 -131.79 1.76 -9.02 -0.03 0
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396287 135027930 1 N2O2C17H18 A2B2C17D18 8.02 0.35 -7.74 0.13 0
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396288 135027933 1 NOC17H21 ABC17D21 23.25 3.39 -8.67 0.04 0
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396289 135027937 1 SN3O3H15C22 AB3C3D15E22 46.21 5.7 -8.58 -1.16 0
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396290 135027941 1 NOC22H25 ABC22D25 -1.22 2.72 -8.74 -0.03 0
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396291 135027956 1 NSO5C15H21 ABC5D15E21 -203.32 5.49 -9.18 -0.62 0
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396292 135027957 1 NSO5C15H21 ABC5D15E21 -204.61 6.0 -9.65 -0.72 0
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396293 135027969 1 NO5H23C29 AB5C23D29 -105.38 7.73 -8.8 -1.08 0
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396294 135027987 1 O4H16C19 A4B16C19 -98.74 3.36 -9.25 -0.81 0
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396295 135028004 1 NO4H19C21 AB4C19D21 -106.02 7.29 -8.66 -0.38 0
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396296 135028013 1 O5C18H22 A5B18C22 -159.99 4.96 -8.26 -0.14 0
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396297 135028014 1 NO3C17H17 AB3C17D17 -76.62 4.86 -9.56 -0.47 0
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396298 135028017 1 N2S2O3C26H28 A2B2C3D26E28 -40.93 6.2 -8.34 -0.66 1
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396299 135028018 1 O2C4H7 A2B4C7 -66.57 2.54 0.0 0.0 0
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396300 135028022 2 O2H9C11 A2B9C11 -48.83 1.15 -8.56 -0.62 0
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396301 135028032 1 N3O8C13H19 A3B8C13D19 -304.18 5.12 -9.86 -0.73 0