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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180683 76668991 1 ClON2F3H12C13 ABC2D3E12F13 -143.23 5.36 -8.89 -0.66 0
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180684 76668992 1 BrClNO2H11C12 ABCD2E11F12 -36.99 5.27 -9.01 -1.4 0
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180685 76668993 1 ClON2H7C9 ABC2D7E9 30.96 8.24 -8.68 -1.2 0
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180686 76668994 1 ON2F6H14C15 AB2C6D14E15 -302.26 6.74 -9.21 -1.06 0
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180687 76668995 1 ON2F6H12C14 AB2C6D12E14 -294.85 5.64 -9.11 -1.12 1
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180688 76668996 1 Cl2F2N5H20C22 A2B2C5D20E22 7.73 9.94 0.0 0.0 1
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180689 76668997 1 ClF2N5H21C22 AB2C5D21E22 7.9 7.74 0.0 0.0 0
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180690 76669354 1 NF3O4H18C21 AB3C4D18E21 -278.41 3.65 -9.54 -1.38 0
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180691 76669355 1 NO3H19C20 AB3C19D20 -73.35 2.19 -9.29 -1.3 0
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180692 76669703 1 BIrN3C12H17 ABC3D12E17 166.12 25.77 -9.65 -7.23 0
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180693 76669947 1 BIrN4H18C19 ABC4D18E19 209.28 30.58 -9.23 -5.21 0
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180694 76670122 1 N2H18C27 A2B18C27 137.19 3.42 -8.47 -0.96 0
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180695 76670254 1 N6O11C39H70 A6B11C39D70 -578.68 8.92 -9.43 -0.35 0
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180696 76670627 1 N2F3O4H17C18 A2B3C4D17E18 -251.76 5.8 -8.71 -1.32 0
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180697 76670628 1 N2O3C17H18 A2B3C17D18 -45.57 6.3 -8.2 -0.98 0
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180698 76670650 1 Br2N2O2H12C15 A2B2C2D12E15 -2.03 3.21 -8.49 -1.19 0
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180699 76670739 1 O3N4C19H26 A3B4C19D26 -79.32 0.92 -8.84 -1.34 0
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180700 76671022 1 F2N4O4C29H30 A2B4C4D29E30 -151.8 9.79 -8.49 -0.99 0
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180701 76671198 1 N5O7H23C28 A5B7C23D28 -153.12 6.79 -9.34 -1.03 0
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180702 76671509 1 ClSN3O3C28H36 ABC3D3E28F36 -55.06 8.73 -8.92 -0.92 0
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180703 76671669 1 Cl2N2O3H26C28 A2B2C3D26E28 -10.43 3.03 -9.39 -1.42 0
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180704 76671670 1 FN2O3C29H29 AB2C3D29E29 -52.37 8.03 -8.97 -0.99 0
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180705 76671779 1 N2O2C27H38 A2B2C27D38 -114.7 5.03 -8.3 0.11 0
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180706 76671980 1 FN3O4C26H28 AB3C4D26E28 -146.95 3.39 -9.0 -0.5 0
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180707 76672405 1 FNORhC16H22 ABCDE16F22 -94.87 7.57 0.0 0.0 0