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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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429717 135169768 1 F3N4H11C14 A3B4C11D14 -41.24 4.73 -8.83 -1.45 0
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429718 135169769 1 ON5H31C50 AB5C31D50 248.73 3.55 -8.24 -1.22 0
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429719 135169770 1 ON2H16C23 AB2C16D23 72.62 3.0 -8.13 -0.83 0
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429720 135169771 1 O2N5H29C50 A2B5C29D50 224.95 2.46 -8.19 -1.43 0
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429721 135169772 1 F3N9H16C23 A3B9C16D23 86.33 3.47 -8.84 -1.76 0
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429722 135169773 1 F3N8H27C28 A3B8C27D28 30.48 7.74 -8.94 -1.43 0
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429723 135169774 1 O2N5H25C44 A2B5C25D44 211.13 2.75 -8.45 -1.44 0
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429724 135169775 1 PF3N8H22C24 AB3C8D22E24 36.45 6.17 -8.64 -1.4 0
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429725 135169776 3 FNH4C5 ABC4D5 -59.86 1.42 -9.06 -1.19 1
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429726 135169777 1 ClSO2F3N8H13C20 ABC2D3E8F13G20 5.88 6.99 0.0 0.0 0
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429727 135169778 1 BrN2C6H9 AB2C6D9 38.08 1.26 -8.75 -0.04 0
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429728 135169779 1 ON5H27C44 AB5C27D44 232.67 3.75 -8.42 -1.35 0
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429729 135169780 1 BrClON2C7H8 ABCD2E7F8 11.72 3.88 -9.19 -0.77 0
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429730 135169781 1 ClO2F3N8H16C22 AB2C3D8E16F22 -70.07 3.3 -8.24 -1.37 1
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429731 135169782 1 ClSO2F3N8H15C21 ABC2D3E8F15G21 -3.8 6.62 0.0 0.0 0
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429732 135169783 1 ClSO2F3N6H16C22 ABC2D3E6F16G22 -94.36 4.34 -8.36 -1.62 0
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429733 135169784 1 ClOF3N9H19C24 ABC3D9E19F24 3.68 9.64 -9.3 -1.55 0
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429734 135169785 1 OF3N8H17C23 AB3C8D17E23 -3.23 7.39 -9.53 -1.59 0
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429735 135169786 1 OF3N3H12C15 AB3C3D12E15 -119.17 5.9 -9.19 -1.16 0
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429736 135169787 1 ClOF3N8H16C22 ABC3D8E16F22 -18.41 7.94 -9.39 -1.3 1
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429737 135169788 1 SO2N5F6H12C19 AB2C5D6E12F19 -224.15 9.25 0.0 0.0 0
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429738 135169789 1 OF6N6H14C20 AB6C6D14E20 -244.46 11.05 -8.95 -1.49 0
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429739 135169790 2 NC5H6 AB5C6 29.79 1.41 -7.85 0.15 0
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429740 135169791 1 N3C6H13 A3B6C13 25.26 2.92 -8.94 0.66 0
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429741 135169792 1 O2F3N4H9C12 A2B3C4D9E12 -142.98 6.91 -9.02 -1.57 0
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429742 135169793 1 O2N4C11H22 A2B4C11D22 -54.18 4.19 -9.32 0.02 0
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429743 135169794 1 OF4N9H13C20 AB4C9D13E20 -23.99 2.29 -9.68 -1.78 0
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429744 135169795 1 OF4N9H13C22 AB4C9D13E22 -2.31 3.96 -8.64 -1.86 1
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429745 135169796 1 N3O3F4H14C17 A3B3C4D14E17 -202.63 4.01 0.0 0.0 0
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429746 135169797 1 ClF3N3H11C15 AB3C3D11E15 -67.07 4.19 -9.16 -1.5 0
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429747 135169798 1 O2F3N7C25H28 A2B3C7D25E28 -124.5 7.22 -8.78 -1.13 0
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429748 135169799 1 F3N6C25H31 A3B6C25D31 -54.18 9.16 -8.36 -1.12 0
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429749 135169800 1 O2N3C15H15 A2B3C15D15 -14.21 6.29 -8.77 -0.68 0
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429750 135169801 1 F3N11H14C20 A3B11C14D20 106.38 14.71 -8.84 -1.62 0
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429751 135169802 1 ClO2F3N8H20C25 AB2C3D8E20F25 -45.94 7.02 -9.68 -1.68 0
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429752 135169803 1 O2F3N3H16C17 A2B3C3D16E17 -181.95 4.39 -9.23 -1.12 0
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429753 135169804 1 O2N3F4H13C16 A2B3C4D13E16 -216.68 4.94 -9.39 -1.47 0
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429754 135169805 1 O2F3N9H14C21 A2B3C9D14E21 4.77 9.11 -9.55 -1.8 0
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429755 135169806 1 F3N9C25H26 A3B9C25D26 118.18 3.26 -8.44 -1.15 0
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429756 135169807 1 ClO3N5C10H14 AB3C5D10E14 -33.47 2.26 -8.59 -0.34 0
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429757 135169808 1 ClON8H15C20 ABC8D15E20 147.04 8.08 -9.03 -1.15 0
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429758 135169810 1 O2F3N8H19C22 A2B3C8D19E22 -56.62 7.87 -7.84 -1.59 0
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429759 135169811 1 OF4N8H16C23 AB4C8D16E23 -26.97 8.65 -9.72 -1.63 0
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429760 135169812 1 ClF3N8H22C25 AB3C8D22E25 34.13 4.13 -8.03 -1.07 0
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429761 135169813 1 SO2F3N7H16C23 AB2C3D7E16F23 -29.11 2.38 -8.38 -1.51 0
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429762 135169814 1 OF3N10H15C19 AB3C10D15E19 25.85 13.21 -9.57 -1.46 0
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429763 135169815 1 SF3N9H20C22 AB3C9D20E22 89.85 4.46 -8.68 -1.24 0
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429764 135169816 1 FON5C11H14 ABC5D11E14 -20.5 5.96 -9.17 -0.23 0
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429765 135169817 1 N5H7C9 A5B7C9 136.01 3.92 -9.69 -1.49 0
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429766 135169818 1 OF3N11H18C19 AB3C11D18E19 211.86 7.96 -8.18 -1.52 0