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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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435590 135191873 1 ON2C16H22 AB2C16D22 -19.84 3.99 -9.11 0.18 0
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435591 135191876 1 ClO3C24H31 AB3C24D31 -126.49 4.31 -8.78 0.04 0
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435592 135191887 1 FN3C26H36 AB3C26D36 -18.72 5.26 -7.56 -0.18 0
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435593 135191888 1 ON3C14H17 AB3C14D17 5.18 6.33 -9.39 -0.08 0
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435594 135191889 1 N3O4C16H23 A3B4C16D23 -119.84 5.77 -8.53 -0.24 0
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435595 135191890 1 ON3C11H13 AB3C11D13 6.14 2.99 -9.2 -0.11 0
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435596 135191893 2 ON3C7H8 AB3C7D8 43.83 5.29 -8.92 -0.53 0
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435597 135191894 1 NO2C14H21 AB2C14D21 -70.81 5.31 -8.99 0.24 0
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435598 135191901 1 N3O3C23H31 A3B3C23D31 -57.78 8.75 -9.24 -0.14 0
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435599 135191903 1 O6C15H16 A6B15C16 -244.63 6.43 -10.27 -0.84 0
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435600 135191907 1 ON3C13H17 AB3C13D17 18.18 5.48 -9.67 -0.11 0
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435601 135191911 1 BrNOC11H14 ABCD11E14 -17.73 5.12 -8.5 0.02 0
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435602 135191916 1 N4O5C17H20 A4B5C17D20 -125.34 4.0 -9.88 -1.36 0
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435603 135191917 1 F2O3N5H19C20 A2B3C5D19E20 -135.62 1.1 -9.05 -0.52 0
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435604 135191923 2 FON2C11H11 ABC2D11E11 -111.79 3.5 -8.87 -0.41 0
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435605 135191926 1 O3N5C15H25 A3B5C15D25 -110.73 6.1 -8.82 -0.18 0
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435606 135191936 1 N2O2C13H16 A2B2C13D16 -42.07 6.34 -9.52 -0.34 0
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435607 135191937 1 N3O4C22H25 A3B4C22D25 -103.45 3.98 -8.79 -0.36 0
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435608 135191938 1 ClFO2N5C20H21 ABC2D5E20F21 -59.53 8.55 -9.47 -0.88 0
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435609 135191939 1 N2O3H18C19 A2B3C18D19 -52.9 2.36 -8.96 -0.47 0
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435610 135191940 1 NO3C14H21 AB3C14D21 -116.39 5.86 -9.62 0.56 0
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435611 135191946 1 ON3C9H15 AB3C9D15 -1.42 4.59 -8.93 0.09 0
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435612 135191949 2 O3C11H11 A3B11C11 -215.78 5.09 -9.66 -0.72 0
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435613 135191950 1 O5C15H18 A5B15C18 -208.12 2.1 -9.69 0.0 0
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435614 135191952 1 ON3C15H19 AB3C15D19 10.98 5.9 -9.1 -0.41 0
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435615 135191953 1 O2N4C25H32 A2B4C25D32 -26.04 3.56 -9.02 -0.3 0
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435616 135191954 1 SN3O6C16H21 AB3C6D16E21 -205.12 5.59 -9.2 -1.09 0
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435617 135191955 1 O4N7H19C23 A4B7C19D23 47.76 9.32 -9.56 -1.25 0
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435618 135191957 1 NO6C15H17 AB6C15D17 -169.79 6.95 -10.66 -1.75 0
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435619 135191958 1 ClO3N5C20H20 AB3C5D20E20 -36.87 4.81 -8.98 -0.55 0
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435620 135191959 1 ON2F3C12H15 AB2C3D12E15 -178.54 4.73 -8.77 -0.28 0
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435621 135191960 1 NO4C12H15 AB4C12D15 -146.56 1.83 -9.54 -0.8 0
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435622 135191961 1 N3O5C13H15 A3B5C13D15 -136.43 4.43 -8.32 -0.76 0
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435623 135191963 1 O3N4C22H24 A3B4C22D24 -35.85 3.62 -8.77 -0.47 0
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435624 135191966 1 ClO2N4H21C22 AB2C4D21E22 -11.96 2.79 -9.24 -0.61 0
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435625 135191967 4 NOC7H7 ABC7D7 -42.02 2.2 -8.6 -0.83 0
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435626 135191968 4 NOH4C5 ABC4D5 -4.27 3.11 -9.17 -1.08 0
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435627 135191969 1 ON2C10H14 AB2C10D14 -28.77 1.67 -8.71 0.25 0
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435628 135191970 1 NO4C13H17 AB4C13D17 -148.39 2.71 -8.87 -0.78 0
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435629 135191972 1 ClON2C11H15 ABC2D11E15 -43.33 2.69 -9.26 -0.57 1
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435630 135191974 1 PO3N4C22H22 AB3C4D22E22 -4.13 6.94 0.0 0.0 0
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435631 135191976 1 ON5C9H13 AB5C9D13 27.48 3.56 -9.09 -0.45 0
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435632 135191987 1 O4N8C25H26 A4B8C25D26 40.65 2.78 -9.03 -0.74 0
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435633 135192001 1 NF2O2C16H19 AB2C2D16E19 -154.58 5.72 -9.46 -0.35 0
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435634 135192006 1 N3O6C24H25 A3B6C24D25 -141.33 3.08 -9.0 -0.91 0
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435635 135192015 1 F2N2O5C15H16 A2B2C5D15E16 -274.04 5.31 -9.1 -1.18 0
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435636 135192018 1 ON4C9H14 AB4C9D14 -16.72 4.34 -9.21 -0.49 0
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435637 135192019 1 FON3C12H14 ABC3D12E14 -37.71 3.82 -9.46 -0.33 0
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435638 135192020 1 O2N4C25H30 A2B4C25D30 -8.98 2.22 -9.01 -0.22 0
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435639 135192022 1 N5C37H41 A5B37C41 146.71 8.18 -7.4 -0.39 0
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435640 135192027 2 N2O2C11H12 A2B2C11D12 -36.27 4.22 -8.25 -0.5 0
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435641 135192037 1 NOC13H15 ABC13D15 -5.89 4.15 -9.53 0.18 0
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435642 135192038 1 F2O2N5C21H21 A2B2C5D21E21 -96.44 5.71 -9.23 -0.64 0
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435643 135192046 1 FN2O6C33H39 AB2C6D33E39 -267.93 1.73 -8.49 -0.38 0
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435644 135192048 1 FN2O5C37H41 AB2C5D37E41 -176.41 4.09 -8.31 -0.2 0
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435645 135192049 1 FNOC16H20 ABCD16E20 -69.67 3.69 -9.55 -0.09 0
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435646 135192053 1 ClO2N5C22H24 AB2C5D22E24 -22.41 9.29 -8.42 -0.44 0
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435647 135192054 1 O3N4C20H24 A3B4C20D24 -54.08 7.3 -9.48 0.04 0
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435648 135192055 1 NPSO2C10H10 ABCD2E10F10 5.01 5.08 -9.75 -0.98 0
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435649 135192058 1 FPN3O8C30H33 ABC3D8E30F33 -365.49 4.22 -8.49 -0.38 0
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435650 135192060 1 FN2O6C33H39 AB2C6D33E39 -252.41 5.86 -8.01 -0.15 0
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435651 135192062 1 FN2O4C29H33 AB2C4D29E33 -162.01 4.14 -8.39 -0.24 0
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435652 135192064 1 O2N4C13H14 A2B4C13D14 -10.91 4.9 -9.24 -1.16 0
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435653 135192075 1 ON2C16H22 AB2C16D22 -25.24 2.42 -8.17 0.42 0
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435654 135192076 1 FON3C12H12 ABC3D12E12 -29.08 3.79 -9.64 -0.29 0
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435655 135192077 1 N3O4C14H19 A3B4C14D19 -106.31 4.63 -8.72 -0.49 0
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435656 135192080 1 FO3N4H15C20 AB3C4D15E20 -22.17 7.71 -9.65 -0.6 0
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435657 135192084 1 N3O3C23H31 A3B3C23D31 -87.93 3.98 -8.79 -0.34 0
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435658 135192086 1 NC12H15 AB12C15 50.25 1.94 -9.43 0.26 0
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435659 135192089 1 IO3N4H21C22 AB3C4D21E22 -3.56 7.14 -8.6 -1.35 0
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435660 135192090 1 O3N4C22H24 A3B4C22D24 -38.24 1.71 -8.89 -0.37 0
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435661 135192091 1 FNOC17H22 ABCD17E22 -81.3 3.19 -9.59 -0.17 0
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435662 135192092 1 ON3C13H17 AB3C13D17 15.64 5.76 -9.61 -0.11 0
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435663 135192093 1 ON4H10C11 AB4C10D11 66.62 6.65 -10.01 -0.33 0
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435664 135192094 1 ON3C11H15 AB3C11D15 -6.4 4.22 -8.72 -0.01 0
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435665 135192096 1 FN3C14H18 AB3C14D18 18.44 3.8 -9.3 -0.52 0
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435666 135192099 1 FN2O7C32H39 AB2C7D32E39 -267.13 4.88 -8.54 -0.32 0
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435667 135192107 1 FN2O3C28H33 AB2C3D28E33 -98.67 1.35 -7.93 -0.09 0
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435668 135192117 1 FN2O4C30H35 AB2C4D30E35 -163.53 5.39 -8.07 -0.21 0
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435669 135192119 1 FN3O5C32H38 AB3C5D32E38 -187.66 4.72 -8.26 -0.28 0
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435670 135192121 1 SF2N2O2C20H22 AB2C2D2E20F22 -143.19 4.67 -8.28 -0.61 0
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435671 135192123 1 ON7C33H33 AB7C33D33 120.66 7.09 -8.22 -0.71 0
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435672 135192124 1 OCl2N5F9H14C20 AB2C5D9E14F20 -367.76 3.54 -8.81 -1.24 0
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435673 135192126 1 N5C37H39 A5B37C39 180.1 6.76 -7.72 -0.26 0
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435674 135192135 1 FPN2O6C29H34 ABC2D6E29F34 -250.13 6.84 -8.16 -0.27 0
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435675 135192137 1 ON6C31H36 AB6C31D36 56.92 5.6 -8.36 -0.08 0
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435676 135192139 1 SC21H24 AB21C24 14.65 1.91 -8.18 0.22 0
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435677 135192140 1 N7C30H33 A7B30C33 153.86 7.0 -8.11 -0.5 0
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435678 135192143 1 FSN2O3C20H23 ABC2D3E20F23 -136.72 1.85 -8.8 -0.98 0
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435679 135192144 1 SC22H26 AB22C26 13.47 1.92 -8.2 0.22 0
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435680 135192145 1 SC23H28 AB23C28 2.75 2.22 -8.2 0.22 0
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435681 135192146 1 NSC25H33 ABC25D33 4.6 3.68 -8.29 0.17 0
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435682 135192147 1 FN2O7C34H43 AB2C7D34E43 -296.78 5.18 -8.34 -0.53 0
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435683 135192148 2 NO2C11H14 AB2C11D14 -75.2 4.37 -8.13 -0.5 0
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435684 135192151 1 SN2O3F4H18C20 AB2C3D4E18F20 -257.25 5.24 -8.88 -1.11 0
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435685 135192155 1 FN2O7C36H45 AB2C7D36E45 -332.94 3.12 -8.39 -0.43 0
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435686 135192157 1 OSN2F4C20H20 ABC2D4E20F20 -196.67 3.1 -8.27 -1.12 0
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435687 135192158 1 SN2O3F4C22H24 AB2C3D4E22F24 -289.56 3.29 -8.73 -1.04 0
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435688 135192161 1 FN2O6C28H35 AB2C6D28E35 -248.85 3.54 -8.52 -0.26 0
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435689 135192162 1 FN2O6C34H45 AB2C6D34E45 -265.56 6.05 -8.72 -0.08 0