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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39653 8141752 1 ClN4O4C17H23 AB4C4D17E23 -93.14 6.19 -9.36 -1.92 1
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39654 8141753 1 Cl2O2N3C18H26 A2B2C3D18E26 -86.51 2.54 0.0 0.0 1
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39655 8141757 1 Cl2O2N3C18H26 A2B2C3D18E26 -86.35 2.47 0.0 0.0 0
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39656 8141760 1 O2F3N3C19H26 A2B3C3D19E26 -253.35 4.06 -9.24 -0.66 0
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39657 8141762 1 N3O5C22H35 A3B5C22D35 -210.2 2.76 -8.65 0.25 0
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39658 8141768 1 O2N3C25H33 A2B3C25D33 -68.08 2.58 -9.01 0.16 1
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39659 8141769 1 N3O3C22H30 A3B3C22D30 -81.85 4.41 0.0 0.0 1
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39660 8141771 1 N3O3C22H36 A3B3C22D36 -129.15 5.48 0.0 0.0 1
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39661 8141773 1 N3O3C24H32 A3B3C24D32 -75.59 2.45 0.0 0.0 0
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39662 8141782 3 NOC8H13 ABC8D13 -158.58 5.1 -8.75 0.23 1
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39663 8141785 1 N4O4C21H35 A4B4C21D35 -193.34 6.29 0.0 0.0 1
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39664 8141799 1 N4O4C23H33 A4B4C23D33 -140.92 24.22 0.0 0.0 1
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39665 8141801 1 F2N3O3C20H28 A2B3C3D20E28 -198.4 4.84 0.0 0.0 0
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39666 8141802 1 F2N3O3C20H27 A2B3C3D20E27 -219.75 4.76 -9.04 -0.66 1
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39667 8141805 1 N3O4C21H30 A3B4C21D30 -127.38 6.43 0.0 0.0 0
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39668 8141816 1 NO5C19H21 AB5C19D21 -139.46 5.49 -8.38 -0.17 0
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39669 8141818 1 NO4C20H21 AB4C20D21 -91.91 2.71 -8.28 -0.76 0
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39670 8141824 1 NF2O4H21C23 AB2C4D21E23 -204.67 5.54 -8.76 -0.59 0
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39671 8141829 1 FO2N3C21H24 AB2C3D21E24 -95.09 7.84 -9.13 -0.28 1
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39672 8141830 1 F2N3O3C20H22 A2B3C3D20E22 -150.28 7.69 0.0 0.0 0
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39673 8141833 1 FN3O3C22H26 AB3C3D22E26 -138.13 6.45 -9.12 -0.2 0
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39674 8141839 1 NSO3C18H19 ABC3D18E19 -57.7 5.22 -8.69 -0.72 1
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39675 8141841 1 ClFO2N3C19H20 ABC2D3E19F20 -68.86 0.97 0.0 0.0 0
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39676 8141842 1 ClFO2N3C19H19 ABC2D3E19F19 -88.72 3.21 -9.03 -0.62 0
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39677 8141846 1 ClN3O3C19H20 AB3C3D19E20 -59.71 2.16 -9.06 -0.71 0
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39678 8141854 1 ClO2N3C21H24 AB2C3D21E24 -54.41 1.52 -9.03 -0.35 1
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39679 8141859 1 ClO2N3C20H23 AB2C3D20E23 -31.79 6.38 0.0 0.0 0
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39680 8141860 1 ClO2N3C20H22 AB2C3D20E22 -47.0 3.84 -9.06 -0.44 0
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39681 8141866 1 ClF2O2N3H18C19 AB2C2D3E18F19 -135.2 3.99 -9.04 -0.89 1
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39682 8141877 1 ClFO2N3C21H22 ABC2D3E21F22 -56.25 4.98 0.0 0.0 1
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39683 8141879 1 ClN3O3C22H25 AB3C3D22E25 -49.58 4.5 0.0 0.0 1
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39684 8141887 1 ClSO2N3C21H25 ABC2D3E21F25 -37.51 4.43 0.0 0.0 0
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39685 8141900 1 ClN3O3C21H24 AB3C3D21E24 -90.1 3.26 -8.96 -0.28 0
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39686 8141907 1 N2O5H22C23 A2B5C22D23 -46.1 3.85 -8.49 -1.54 0
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39687 8141909 1 NO4C23H23 AB4C23D23 -59.36 3.86 -8.32 -0.68 0
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39688 8141913 1 NO3C23H23 AB3C23D23 -39.81 4.0 -8.26 -0.1 0
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39689 8141918 1 N2O3H22C24 A2B3C22D24 -8.72 2.87 -8.66 -1.16 0
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39690 8141921 1 NO5C25H25 AB5C25D25 -110.53 3.27 -8.39 0.01 0
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39691 8141925 1 NF2O3H21C23 AB2C3D21E23 -134.73 4.09 -8.48 -0.75 0
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39692 8141929 1 ClN4O4C16H21 AB4C4D16E21 -84.53 7.78 -9.3 -1.7 1
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39693 8141930 1 BrO2N3C16H23 AB2C3D16E23 -51.62 2.02 0.0 0.0 1
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39694 8141940 1 ClN4O4C16H22 AB4C4D16E22 -64.03 3.32 0.0 0.0 1
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39695 8141946 1 SN4O4C20H33 AB4C4D20E33 -142.18 7.82 0.0 0.0 0
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39696 8141963 1 N3O3C23H27 A3B3C23D27 -82.95 3.09 -8.83 -0.79 0
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39697 8141975 1 N2O5C24H30 A2B5C24D30 -204.17 7.04 -8.55 0.0 0
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39698 8141977 1 NO5C24H25 AB5C24D25 -134.91 4.82 -8.6 -0.73 0
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39699 8141979 1 ClSN3O3H14C15 ABC3D3E14F15 -15.31 4.05 -8.78 -2.0 0
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39700 8141980 1 SN3O4C16H17 AB3C4D16E17 -43.01 9.04 -9.18 -1.05 0
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39701 8141981 1 SN3O4C16H17 AB3C4D16E17 -44.08 9.27 -9.2 -1.06 0
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39702 8141987 1 OSN2C17H20 ABC2D17E20 -17.54 2.22 -8.46 -0.11 0
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39703 8141988 1 S2N3O3C17H21 A2B3C3D17E21 -74.37 1.69 -8.83 -1.0 0
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39704 8141991 1 SN2O3C19H22 AB2C3D19E22 -69.91 4.05 -8.4 -0.77 0
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39705 8141996 1 SF2N2O2C16H16 AB2C2D2E16F16 -143.04 3.86 -8.89 -0.91 0
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39706 8142005 1 SN2O4C19H24 AB2C4D19E24 -125.67 2.52 -8.26 -0.23 0
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39707 8142008 1 OSN2C13H18 ABC2D13E18 -31.09 4.0 -8.82 -0.47 0
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39708 8142009 1 OSN2C13H18 ABC2D13E18 -32.53 4.03 -8.82 -0.47 0
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39709 8142010 1 OSN2C14H20 ABC2D14E20 -47.74 3.89 -8.8 -0.45 0
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39710 8142012 1 ClSN3O3H14C15 ABC3D3E14F15 -11.73 5.54 -9.15 -1.78 0
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39711 8142015 1 ClOSN2C16H17 ABCD2E16F17 -22.67 5.97 -9.0 -0.66 0
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39712 8142018 1 OSCl2N3H13C14 ABC2D3E13F14 -1.97 5.46 -9.1 -1.23 0
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39713 8142019 1 OSCl2N3H13C14 ABC2D3E13F14 -3.07 5.39 -9.11 -1.18 0
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39714 8142025 1 SN2O2C17H20 AB2C2D17E20 -46.47 4.95 -8.7 -0.67 0
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39715 8142027 1 SN3O4C16H17 AB3C4D16E17 -44.49 9.06 -9.04 -1.16 0
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39716 8142029 1 SN2O2C18H22 AB2C2D18E22 -58.75 4.14 -8.54 -0.61 0
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39717 8142030 1 SN2O2C18H22 AB2C2D18E22 -59.76 3.9 -8.56 -0.61 0
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39718 8142035 1 SN2O3C17H20 AB2C3D17E20 -71.25 3.89 -8.34 -0.59 0
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39719 8142036 1 SN2O3C17H20 AB2C3D17E20 -72.24 4.15 -8.36 -0.61 0
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39720 8142037 1 FSN2O2C16H17 ABC2D2E16F17 -78.45 3.75 -8.94 -0.7 0
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39721 8142042 1 SN2O3C18H22 AB2C3D18E22 -82.26 3.67 -8.72 -0.33 0
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39722 8142046 1 SN3O3C19H25 AB3C3D19E25 -133.23 7.68 -9.24 -0.66 0
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39723 8142054 1 SN3O3C19H19 AB3C3D19E19 -79.13 6.41 -8.8 -1.44 0
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39724 8142055 1 SO2N4C18H18 AB2C4D18E18 -6.16 2.3 -8.79 -1.17 0
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39725 8142056 1 SO2N4C18H18 AB2C4D18E18 -7.36 2.49 -8.82 -1.15 0
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39726 8142057 1 SF2N2O2C16H16 AB2C2D2E16F16 -148.43 4.16 -8.91 -0.73 0
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39727 8142059 1 SN2O2H16C17 AB2C2D16E17 -9.41 3.47 -8.75 -1.1 0
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39728 8142060 1 SN2O2H16C17 AB2C2D16E17 -10.5 3.56 -8.76 -1.1 0
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39729 8142065 1 SN2O2C18H18 AB2C2D18E18 -21.01 3.02 -8.65 -0.99 0
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39730 8142066 1 SN2O2C18H18 AB2C2D18E18 -22.1 2.91 -8.72 -0.98 0
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39731 8142069 1 OSF2N2H14C15 ABC2D2E14F15 -91.22 3.69 -8.93 -1.09 0
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39732 8142074 1 OSN2C18H22 ABC2D18E22 -30.94 4.49 -8.85 -0.47 0
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39733 8142080 1 SN2O2C18H22 AB2C2D18E22 -64.33 1.5 -8.54 -0.32 0
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39734 8142085 1 FOSN2C16H17 ABCD2E16F17 -57.29 5.56 -8.9 -0.53 1
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39735 8142095 1 N3O3C21H26 A3B3C21D26 -44.64 4.96 0.0 0.0 0
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39736 8142096 1 N3O3C21H25 A3B3C21D25 -62.32 5.57 -8.93 -0.72 1
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39737 8142097 1 O2N3C23H28 A2B3C23D28 -14.43 2.51 0.0 0.0 0
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39738 8142098 1 O2N3C23H27 A2B3C23D27 -30.55 5.52 -8.95 -0.62 0
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39739 8142104 1 ClO2N3C21H24 AB2C3D21E24 -55.0 6.33 -8.86 -0.39 1
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39740 8142107 1 O2N3C21H32 A2B3C21D32 -76.34 4.7 0.0 0.0 1
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39741 8142111 1 O2N3C22H28 A2B3C22D28 -36.98 7.59 0.0 0.0 0
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39742 8142116 1 O2N3C25H27 A2B3C25D27 -29.34 6.28 -8.65 -0.85 0
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39743 8142120 1 F2O2N3C21H23 A2B2C3D21E23 -139.46 4.86 -9.28 -0.7 1
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39744 8142121 1 N3O3C23H30 A3B3C23D30 -74.75 5.64 0.0 0.0 0
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39745 8142124 2 ON2C11H12 AB2C11D12 -12.78 5.4 -8.78 -1.14 1
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39746 8142127 1 O2N3C20H30 A2B3C20D30 -71.1 6.79 0.0 0.0 0
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39747 8142130 1 O2N3C23H29 A2B3C23D29 -66.12 3.69 -8.65 -0.13 1
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39748 8142137 3 NOC8H10 ABC8D10 -55.87 5.47 0.0 0.0 0
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39749 8142142 1 N3O3C23H29 A3B3C23D29 -88.35 2.0 -9.02 0.06 1
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39750 8142143 1 O2N3C22H28 A2B3C22D28 -37.78 3.11 0.0 0.0 0
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39751 8142146 1 N3O3C24H31 A3B3C24D31 -103.01 3.64 -8.64 0.16 0
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39752 8142152 1 N3O3C24H31 A3B3C24D31 -107.1 4.88 -8.61 0.14 0