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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139688 52581009 1 ClFON2C16H16 ABCD2E16F16 -56.29 1.74 -9.5 -0.4 0
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139689 52581118 1 N3O3H19C23 A3B3C19D23 -23.8 3.59 -8.67 -1.02 0
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139690 52581169 1 F3N3O3H22C23 A3B3C3D22E23 -224.94 3.85 -9.44 -0.89 0
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139691 52581173 1 FCl2O2N3C23H24 AB2C2D3E23F24 -102.58 6.64 -8.22 -0.76 0
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139692 52581174 1 FCl2O2N3C23H24 AB2C2D3E23F24 -98.75 4.08 -9.09 -0.92 0
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139693 52581175 1 FN2O3C21H25 AB2C3D21E25 -135.03 2.83 -9.49 -1.35 0
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139694 52581176 1 FN2O3C21H25 AB2C3D21E25 -135.21 2.92 -9.47 -1.35 0
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139695 52581177 1 FN2O3C21H25 AB2C3D21E25 -137.97 3.09 -9.46 -1.34 0
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139696 52581307 1 N3O4C28H33 A3B4C28D33 -92.99 7.46 -8.19 -0.38 0
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139697 52581428 1 ClFN2O3H14C15 ABC2D3E14F15 -119.76 5.63 -8.76 -1.09 0
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139698 52581435 1 SN3O3H19C22 AB3C3D19E22 3.12 9.66 -8.59 -1.24 0
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139699 52581798 1 Cl2N3O3H19C23 A2B3C3D19E23 -69.38 4.65 -8.78 -1.26 0
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139700 52581801 1 Cl2N3O3C21H21 A2B3C3D21E21 -97.56 4.64 -8.75 -0.97 0
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139701 52582091 1 SN2O3C24H30 AB2C3D24E30 -80.44 5.07 -8.94 -0.6 0
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139702 52582475 1 N3O5C26H31 A3B5C26D31 -179.88 2.03 -8.38 -0.15 -1
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139703 52582528 1 BrNSF3O5H10C15 ABCD3E5F10G15 -279.48 6.95 0.0 0.0 0
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139704 52582660 1 SO2N5C23H27 AB2C5D23E27 5.7 5.05 -8.76 -0.7 0
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139705 52582661 1 SO2N5C23H27 AB2C5D23E27 32.22 18.4 -7.33 -1.15 0
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139706 52583134 1 NO3C22H27 AB3C22D27 -44.87 4.73 -8.83 -0.29 0
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139707 52583912 1 ClN2O2H17C20 AB2C2D17E20 -28.34 6.01 -9.33 -1.0 1
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139708 52583972 1 ClO2N3C24H29 AB2C3D24E29 -36.33 3.78 0.0 0.0 0
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139709 52583973 1 ClO2N3C24H28 AB2C3D24E28 -44.23 3.46 -9.07 -0.29 1
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139710 52583974 1 ClO2N3C24H29 AB2C3D24E29 -24.01 6.8 0.0 0.0 0
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139711 52583975 1 ClO2N3C24H28 AB2C3D24E28 -45.63 4.7 -8.97 -0.39 1
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139712 52583976 1 ClSN3O3C24H31 ABC3D3E24F31 -76.25 8.48 0.0 0.0 0