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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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258450 103154122 1 SN3O4C12H19 AB3C4D12E19 -145.93 4.44 -9.55 -0.74 0
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258451 103154128 1 N3O3C12H17 A3B3C12D17 -114.47 6.93 -9.1 -0.34 0
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258452 103154136 1 N2F3O3C12H15 A2B3C3D12E15 -271.39 1.04 -9.28 -0.69 0
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258453 103154151 1 O2N4C9H14 A2B4C9D14 -23.84 2.81 -9.64 -0.28 0
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258454 103154155 2 NOC5H11 ABC5D11 -109.86 4.37 -9.16 1.11 0
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258455 103154162 1 N2O2C11H24 A2B2C11D24 -117.23 4.4 -9.16 1.26 0
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258456 103154168 1 N2O2C9H20 A2B2C9D20 -108.07 4.69 -9.18 1.17 0
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258457 103154179 1 BrN2O2C11H15 AB2C2D11E15 -65.78 5.0 -9.02 -0.35 0
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258458 103154184 1 FN2O2C11H15 AB2C2D11E15 -112.95 2.33 -9.07 -0.25 0
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258459 103154185 2 NOC6H12 ABC6D12 -122.13 4.02 -9.43 1.17 0
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258460 103154194 1 O2N3C11H17 A2B3C11D17 -60.5 5.62 -9.12 -0.57 0
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258461 103154209 2 NOC6H12 ABC6D12 -122.39 3.95 -9.46 1.17 0
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258462 103154212 2 NOC6H9 ABC6D9 -78.09 3.15 -8.84 0.14 0
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258463 103154225 1 N3O4C12H17 A3B4C12D17 -79.97 8.16 -9.28 -1.13 0
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258464 103154230 1 SN2O4C12H18 AB2C4D12E18 -157.24 9.03 -9.41 -0.57 0
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258465 103154233 1 N2O2C13H16 A2B2C13D16 -16.97 3.83 -8.84 -0.16 0
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258466 103154238 1 N3O3C13H19 A3B3C13D19 -118.07 6.87 -8.38 -0.07 0
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258467 103154244 1 O2N3C11H17 A2B3C11D17 -60.2 4.9 -9.03 -0.18 0
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258468 103154245 1 O2N3C11H17 A2B3C11D17 -63.98 2.2 -9.26 -0.27 0
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258469 103154248 1 O2N3C11H17 A2B3C11D17 -55.3 4.81 -9.18 -0.43 0
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258470 103154250 1 O2N3C9H17 A2B3C9D17 -66.99 0.45 -9.39 0.59 0
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258471 103154260 2 NOC6H12 ABC6D12 -109.8 3.88 -9.19 1.13 0
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258472 103154266 1 FN2O2C12H17 AB2C2D12E17 -122.69 1.91 -8.82 -0.12 0
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258473 103154267 1 N3O4C11H15 A3B4C11D15 -78.96 8.98 -9.58 -1.22 0
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258474 103154284 1 N2O2C13H28 A2B2C13D28 -126.64 3.62 -9.2 1.26 0