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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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74227 48421607 1 O3N4C17H20 A3B4C17D20 -59.55 5.15 -8.14 -0.16 0
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74228 48421608 2 NO2C7H12 AB2C7D12 -174.93 1.54 -9.25 0.57 0
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74229 48421609 1 N3O5C20H23 A3B5C20D23 -153.95 4.31 -9.38 -0.5 0
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74230 48421610 2 NO2C8H11 AB2C8D11 -117.54 4.74 -9.34 -0.45 0
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74231 48421611 2 NO2C10H12 AB2C10D12 -138.28 1.57 -8.67 0.12 0
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74232 48421612 1 NO2C17H25 AB2C17D25 -73.73 2.29 -9.44 0.28 0
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74233 48421613 1 NO2C14H25 AB2C14D25 -102.29 2.78 -9.14 0.88 0
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74234 48421614 1 N2O3C21H26 A2B3C21D26 -109.62 2.19 -9.33 0.08 0
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74235 48421615 1 N2O3C17H24 A2B3C17D24 -131.8 2.03 -9.35 0.27 0
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74236 48421617 1 N2O4C15H20 A2B4C15D20 -153.08 4.71 -9.52 -0.04 0
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74237 48421618 1 NO3C11H19 AB3C11D19 -118.76 2.36 -9.32 0.66 0
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74238 48421619 1 N2O3C13H22 A2B3C13D22 -126.05 1.08 -9.24 0.61 0
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74239 48421621 1 NO2C19H27 AB2C19D27 -69.76 2.68 -9.26 0.32 0
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74240 48421622 1 N3O4C17H23 A3B4C17D23 -159.02 2.46 -9.34 0.17 0
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74241 48421624 1 N3O3C17H19 A3B3C17D19 -79.13 3.12 -9.4 -0.49 0
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74242 48421625 1 N2O2C13H18 A2B2C13D18 -45.29 3.41 -9.78 -0.36 0
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74243 48421626 1 N3O3C17H19 A3B3C17D19 -81.42 3.45 -9.74 -0.18 0
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74244 48421627 1 N2O2C13H18 A2B2C13D18 -45.11 2.66 -9.96 -0.29 0
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74245 48421628 1 N3O3C17H19 A3B3C17D19 -80.91 3.84 -9.67 -0.32 0
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74246 48421629 1 N2O2C13H18 A2B2C13D18 -47.36 1.79 -9.86 -0.35 0
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74247 48421630 1 N2O5C19H26 A2B5C19D26 -215.88 5.4 -9.42 0.21 0
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74248 48421631 1 NO4C15H25 AB4C15D25 -183.25 3.78 -9.29 0.73 0
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74249 48421632 1 O3N4C17H22 A3B4C17D22 -86.59 6.48 -9.26 -0.07 0
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74250 48421633 1 O2N3C13H21 A2B3C13D21 -49.97 7.09 -9.27 0.73 0
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74251 48421634 1 ClNO2C15H20 ABC2D15E20 -64.01 3.7 -9.4 -0.19 0