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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38653 8137348 1 F2N2O3H14C18 A2B2C3D14E18 -124.81 3.85 -9.45 -1.21 0
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38654 8137349 1 SN3O4C17H25 AB3C4D17E25 -149.45 5.75 -9.64 -0.87 0
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38655 8137351 1 ClF2N2O3H9C16 AB2C2D3E9F16 -99.32 1.45 -9.75 -1.36 0
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38656 8137352 1 SN3O4C16H21 AB3C4D16E21 -124.76 4.83 -9.76 -1.13 0
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38657 8137354 1 SN3O4C21H25 AB3C4D21E25 -114.55 5.59 -9.57 -0.84 1
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38658 8137357 1 O2F3N4C17H22 A2B3C4D17E22 -206.91 6.16 0.0 0.0 0
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38659 8137361 1 ClN2O2C15H17 AB2C2D15E17 -53.42 4.91 -9.56 -0.88 0
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38660 8137362 1 F2N2O5H14C18 A2B2C5D14E18 -171.37 2.17 -9.07 -1.14 0
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38661 8137364 1 F2N2O4H16C19 A2B2C4D16E19 -211.97 4.64 -8.29 -1.5 0
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38662 8137366 1 F2N3O3C15H15 A2B3C3D15E15 -162.95 1.86 -8.62 -1.45 0
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38663 8137368 1 FSN3O4C18H18 ABC3D4E18F18 -136.01 1.79 -9.69 -1.42 0
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38664 8137369 1 SN2O4C16H22 AB2C4D16E22 -157.29 4.59 -8.66 -0.72 0
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38665 8137370 1 SN3O5C19H25 AB3C5D19E25 -175.63 3.81 -8.6 -0.69 0
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38666 8137371 1 O2N4C23H24 A2B4C23D24 5.97 4.49 -8.97 -0.84 0
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38667 8137374 1 SN2O4C22H24 AB2C4D22E24 -106.45 3.74 -8.68 -0.83 0
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38668 8137378 1 SN2O4C22H24 AB2C4D22E24 -106.42 5.77 -8.66 -0.75 0
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38669 8137379 2 NOC7H9 ABC7D9 -64.0 3.33 -9.49 -0.05 0
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38670 8137392 1 SF2N3O4C15H17 AB2C3D4E15F17 -217.76 5.89 -9.42 -1.4 0
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38671 8137401 1 SF2N2O3C12H14 AB2C2D3E12F14 -210.88 7.28 -9.51 -1.54 0
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38672 8137406 1 SF3N3O5C14H16 AB3C3D5E14F16 -322.91 5.26 -10.04 -1.1 0
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38673 8137407 1 SN2O5C20H24 AB2C5D20E24 -159.45 3.83 -9.23 -1.15 0
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38674 8137409 1 SN2O5C20H24 AB2C5D20E24 -163.77 2.56 -9.22 -1.16 0
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38675 8137410 1 SN2O2C14H20 AB2C2D14E20 -68.41 1.21 -9.16 -0.6 0
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38676 8137411 1 ClN2O4C17H21 AB2C4D17E21 -121.81 2.08 -8.93 -0.93 0
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38677 8137412 1 SN2O5C20H24 AB2C5D20E24 -170.25 6.04 -9.26 -0.97 0
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38678 8137413 1 F2N2O4C15H18 A2B2C4D15E18 -232.81 2.52 -9.41 -1.0 0
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38679 8137419 1 ClSN3O3C15H18 ABC3D3E15F18 -98.33 5.52 -8.99 -0.74 0
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38680 8137433 1 NO5C16H21 AB5C16D21 -209.29 8.93 -9.54 -0.82 0
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38681 8137434 1 N3O5C19H23 A3B5C19D23 -162.45 2.49 -8.58 -0.57 0
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38682 8137435 1 FSN3O4C14H18 ABC3D4E14F18 -170.67 2.89 -9.65 -1.0 0
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38683 8137439 1 O2N4C19H20 A2B4C19D20 11.29 3.86 -8.61 -0.61 0
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38684 8137452 1 N2O3C19H24 A2B3C19D24 -113.57 7.67 -9.38 -0.83 0
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38685 8137461 1 N3O3C17H21 A3B3C17D21 -82.11 1.54 -9.54 -0.56 0
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38686 8137483 1 ClFN2O3C13H14 ABC2D3E13F14 -136.39 3.81 -9.16 -0.49 0
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38687 8137522 1 SN3O4C14H19 AB3C4D14E19 -124.32 7.1 -9.95 -0.96 0
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38688 8137570 1 SO2N5C17H21 AB2C5D17E21 0.64 7.27 -8.94 -0.56 0
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38689 8137640 1 SF2O2N3H17C19 AB2C2D3E17F19 -113.09 4.63 -9.22 -1.01 0
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38690 8137661 1 SN2O6C20H24 AB2C6D20E24 -203.78 7.52 -8.54 -1.35 0
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38691 8137675 1 N2O3C18H26 A2B3C18D26 -116.44 3.81 -9.03 0.02 0
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38692 8137741 2 ON2C8H9 AB2C8D9 -4.04 3.57 -9.29 -0.72 0
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38693 8137754 1 SN2O4C22H24 AB2C4D22E24 -103.62 3.26 -9.31 -0.87 0
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38694 8137761 1 SN4O4C15H18 AB4C4D15E18 -84.37 8.79 -9.66 -1.02 0
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38695 8137762 1 NSO3H23C25 ABC3D23E25 -31.51 3.71 -9.11 -0.79 0
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38696 8137765 1 FN2O3H17C18 AB2C3D17E18 -84.89 1.24 -8.93 -1.01 0
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38697 8137766 1 NSO3H23C25 ABC3D23E25 -30.57 4.14 -8.97 -0.57 0
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38698 8137768 1 FN2O3H15C16 AB2C3D15E16 -97.83 4.21 -9.52 -1.13 0
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38699 8137772 1 N2O5C20H22 A2B5C20D22 -142.42 1.1 -8.78 -0.55 0
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38700 8137779 1 NO4H21C23 AB4C21D23 -72.01 2.9 -8.78 -0.68 0
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38701 8137787 1 SN3O6C18H25 AB3C6D18E25 -225.72 1.75 -9.37 -0.44 0
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38702 8137789 1 SN3O6C18H25 AB3C6D18E25 -222.89 8.98 -9.68 -0.81 0
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38703 8137790 1 NO4C24H25 AB4C24D25 -102.05 2.67 -8.72 -0.5 0
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38704 8137791 1 N3O4C17H23 A3B4C17D23 -161.66 5.41 -9.27 -0.64 0
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38705 8137792 1 N3O3C14H15 A3B3C14D15 -34.18 6.38 -9.66 -1.13 0
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38706 8137793 1 NO4C24H25 AB4C24D25 -105.21 2.98 -8.71 -0.49 0
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38707 8137795 1 NO4H21C22 AB4C21D22 -86.52 3.11 -8.62 -0.54 0
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38708 8137796 1 BrFN2O2C12H12 ABC2D2E12F12 -90.75 2.83 -9.82 -1.21 0
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38709 8137798 1 NO4H21C22 AB4C21D22 -90.74 1.84 -8.67 -0.55 0
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38710 8137799 1 N2O5H22C24 A2B5C22D24 -138.12 5.15 -8.3 -0.71 0
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38711 8137801 1 N3O3C16H19 A3B3C16D19 -93.32 4.08 -9.08 -0.67 0
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38712 8137802 1 ClN2O3H13C14 AB2C3D13E14 -66.87 2.45 -9.68 -1.39 0
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38713 8137805 1 N2S2O3C21H22 A2B2C3D21E22 -59.62 3.84 -8.8 -0.77 0
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38714 8137807 1 SN3O6C18H21 AB3C6D18E21 -205.32 9.6 -9.51 -1.76 0
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38715 8137810 1 SO2N5C13H15 AB2C5D13E15 -17.29 3.0 -8.84 -0.31 0
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38716 8137811 1 ClO3N4C16H17 AB3C4D16E17 -36.39 5.37 -9.54 -0.98 0
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38717 8137812 1 NSO3C20H21 ABC3D20E21 -62.33 4.23 -8.95 -0.38 0
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38718 8137813 1 N3O4C15H19 A3B4C15D19 -142.27 2.22 -9.28 -0.5 0
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38719 8137814 1 NSO3C20H21 ABC3D20E21 -62.11 3.56 -8.59 -0.25 0
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38720 8137815 1 N2O3C17H26 A2B3C17D26 -155.16 2.19 -9.91 0.74 0
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38721 8137817 1 N3O3C17H21 A3B3C17D21 -99.67 5.06 -8.64 -0.02 0
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38722 8137820 1 O3N4C20H26 A3B4C20D26 -72.17 6.31 -9.06 -0.51 0
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38723 8137821 1 SN2O4C21H22 AB2C4D21E22 -129.19 0.95 -8.28 -0.31 0
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38724 8137822 1 N2O3C17H22 A2B3C17D22 -107.56 4.85 -9.42 -0.41 0
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38725 8137823 1 ClO2N4H21C22 AB2C4D21E22 11.55 6.09 -8.86 -0.83 0
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38726 8137824 1 SN3O3C17H21 AB3C3D17E21 -79.67 3.34 -8.44 -0.43 0
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38727 8137825 1 N3O3C16H19 A3B3C16D19 -93.17 3.03 -9.15 -0.5 0
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38728 8137827 1 N2S2O5C15H22 A2B2C5D15E22 -182.03 9.17 -9.32 -0.89 0
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38729 8137830 1 O2N4C15H16 A2B4C15D16 4.76 3.16 -9.34 -0.81 0
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38730 8137832 1 N3O5C16H19 A3B5C16D19 -115.55 2.12 -8.88 -0.37 0
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38731 8137834 2 N2O2C9H10 A2B2C9D10 -116.4 7.34 -9.54 -0.87 0
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38732 8137835 1 SF2N2O2C14H16 AB2C2D2E14F16 -143.55 1.24 -9.03 -0.69 0
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38733 8137837 1 ClSN2O3H17C19 ABC2D3E17F19 -23.5 3.46 -8.52 -0.67 0
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38734 8137839 1 FSN3O4C17H22 ABC3D4E17F22 -180.14 2.6 -9.75 -0.74 0
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38735 8137844 1 N3O3C17H21 A3B3C17D21 -96.73 6.86 -9.47 -0.74 0
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38736 8137845 1 NSO3C21H23 ABC3D21E23 -71.83 4.61 -8.88 -0.3 0
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38737 8137847 1 SN2O5C21H22 AB2C5D21E22 -97.48 6.95 -8.7 -0.3 0
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38738 8137848 1 N3O4C17H23 A3B4C17D23 -109.76 2.07 -8.99 -0.6 0
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38739 8137849 1 SN2O4C22H24 AB2C4D22E24 -139.06 8.7 -8.26 -0.38 0
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38740 8137850 1 N4O5C21H22 A4B5C21D22 -35.19 4.39 -9.16 -1.48 0
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38741 8137852 1 SN3O3C18H23 AB3C3D18E23 -90.17 4.07 -8.55 -0.34 0
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38742 8137853 1 N4O4C23H26 A4B4C23D26 -69.13 3.87 -8.96 -0.57 0
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38743 8137854 1 FN3O3C21H22 AB3C3D21E22 -75.85 3.44 -9.09 -0.72 0
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38744 8137855 1 ClN3O3C21H22 AB3C3D21E22 -36.7 3.79 -8.98 -0.69 0
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38745 8137857 1 N3O4C21H23 A3B4C21D23 -46.98 0.33 -8.96 -0.81 0
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38746 8137860 1 N3O3C21H29 A3B3C21D29 -77.25 6.28 -8.91 -0.52 0
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38747 8137862 1 N3O3C25H25 A3B3C25D25 -12.07 3.77 -8.99 -0.68 0
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38748 8137863 1 SO2N3C21H23 AB2C3D21E23 -40.31 4.35 -8.92 -0.72 0
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38749 8137864 1 N3O4C22H25 A3B4C22D25 -67.05 5.16 -8.92 -0.52 0
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38750 8137866 1 OSN7H19C20 ABC7D19E20 57.44 4.16 -8.84 -0.77 0
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38751 8137868 1 SO2N3C21H23 AB2C3D21E23 -46.19 5.83 -8.84 -0.68 0
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38752 8137869 1 SO2N3C21H23 AB2C3D21E23 -48.07 3.66 -9.02 -0.83 0