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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139713 52583977 1 ClSN3O3C24H30 ABC3D3E24F30 -91.83 6.47 -8.9 -0.84 1
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139714 52583978 1 ClSN3O3C24H31 ABC3D3E24F31 -76.81 3.29 0.0 0.0 1
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139715 52583996 1 ClSO2N4C22H26 ABC2D4E22F26 2.49 1.53 0.0 0.0 1
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139716 52584134 1 SN3O3C23H38 AB3C3D23E38 -108.04 6.29 0.0 0.0 0
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139717 52584135 1 SN3O3C23H37 AB3C3D23E37 -132.61 7.19 -8.2 -0.86 0
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139718 52584599 1 ClSN2O2C26H27 ABC2D2E26F27 -41.1 5.33 -8.89 -0.83 0
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139719 52584600 1 ClSN2O2C26H27 ABC2D2E26F27 -37.37 2.09 -8.94 -0.38 0
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139720 52584601 1 SN2O2C24H32 AB2C2D24E32 -91.11 6.54 -8.54 -0.43 0
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139721 52584727 1 SN3O5C24H37 AB3C5D24E37 -241.09 5.0 -8.33 -0.44 -1
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139722 52585164 1 N2O3C13H17 A2B3C13D17 -79.79 6.99 0.0 0.0 0
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139723 52585165 1 N2O3C13H18 A2B3C13D18 -121.46 2.52 -9.7 -1.18 0
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139724 52585166 1 ClNO2C16H16 ABC2D16E16 -56.51 2.52 -9.55 -1.37 0
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139725 52585167 1 NSO7C21H25 ABC7D21E25 -246.03 4.65 -9.3 -1.14 0
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139726 52585324 1 ClO2N4C24H25 AB2C4D24E25 -18.86 4.05 -9.01 -0.65 1
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139727 52585752 1 ON2F6C16H21 AB2C6D16E21 -333.46 3.42 0.0 0.0 1
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139728 52585922 1 ClO2N4C26H34 AB2C4D26E34 -20.92 7.08 0.0 0.0 0
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139729 52585923 1 ClO2N4C26H33 AB2C4D26E33 -30.18 6.17 -8.49 -0.46 1
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139730 52585924 1 ClO2N4C26H34 AB2C4D26E34 -18.73 9.01 0.0 0.0 0
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139731 52586006 1 ClON2H17C20 ABC2D17E20 21.28 5.28 -8.58 -1.32 0
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139732 52586012 1 O2S2N3H21C23 A2B2C3D21E23 26.14 5.67 -8.38 -1.08 0
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139733 52586052 1 SO2N4C25H30 AB2C4D25E30 -38.85 2.5 -8.81 -0.63 0
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139734 52586377 1 N4O4C25H28 A4B4C25D28 -151.02 7.79 -9.14 -0.88 0
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139735 52586620 1 SN2O5H22C23 AB2C5D22E23 -136.67 6.05 -9.15 -1.19 0
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139736 52586918 1 SN3O3C25H33 AB3C3D25E33 -70.3 5.21 -8.86 -0.11 0
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139737 52587096 1 NSCl2O2C13H17 ABC2D2E13F17 -87.38 4.78 -9.53 -1.05 0
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139738 52587097 1 NSCl2O2C13H17 ABC2D2E13F17 -86.19 4.81 -9.48 -1.05 0
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139739 52587098 1 NSCl2O2C13H17 ABC2D2E13F17 -86.11 5.29 -9.49 -1.17 0
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139740 52587401 1 FNOSC16H18 ABCDE16F18 -46.45 1.53 -8.44 -0.26 1
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139741 52587539 1 SO3N4C16H27 AB3C4D16E27 -93.87 7.68 0.0 0.0 0
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139742 52587797 1 N4O7C20H24 A4B7C20D24 -207.09 5.38 -9.96 -1.45 0
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139743 52587857 1 ClIN2O2C18H18 ABC2D2E18F18 -47.68 3.88 -9.03 -1.29 0
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139744 52587858 1 ClIN2O2C15H18 ABC2D2E15F18 -60.92 4.78 -9.38 -1.44 0
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139745 52588056 1 NO3C22H35 AB3C22D35 -152.2 5.99 -8.53 0.37 0
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139746 52588449 1 ClFSN2O2C19H22 ABCD2E2F19G22 -91.71 7.31 -8.17 -1.08 0
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139747 52588814 1 SO2N4C21H26 AB2C4D21E26 -55.76 3.39 -8.84 -0.64 0
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139748 52588963 1 SO2N3H15C21 AB2C3D15E21 42.18 4.61 -8.9 -1.17 0
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139749 52589287 1 ClINO3C17H17 ABCD3E17F17 -68.38 6.33 -8.54 -1.35 0
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139750 52589405 1 FIO2N3H13C19 ABC2D3E13F19 -26.17 4.15 -8.98 -1.6 0
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139751 52589406 1 Cl2N3O3H17C21 A2B3C3D17E21 -56.62 2.71 -9.02 -0.83 0
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139752 52589407 1 Cl2N3O3H17C21 A2B3C3D17E21 -55.36 6.9 -8.85 -0.87 0
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139753 52589576 1 BrN3O3C22H24 AB3C3D22E24 -69.7 4.66 -9.04 -0.84 0
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139754 52589799 1 FSN3O5C23H24 ABC3D5E23F24 -171.96 2.55 -9.38 -0.81 0
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139755 52590030 1 ON2C22H30 AB2C22D30 -25.18 4.46 -8.78 0.24 0
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139756 52590052 1 N2S2O3C18H28 A2B2C3D18E28 -143.99 8.2 -9.13 -0.52 0
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139757 52590182 1 SN2O3H24C27 AB2C3D24E27 -19.71 5.01 -9.15 -1.08 0
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139758 52590520 1 S2N3O3H23C24 A2B3C3D23E24 -34.68 5.02 -8.47 -0.8 0
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139759 52590699 1 O2N4C17H24 A2B4C17D24 -51.25 5.85 -8.72 -0.66 0
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139760 52590700 1 O2N4C17H24 A2B4C17D24 -51.73 2.99 -8.59 -0.31 0
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139761 52590701 1 O2N4C19H26 A2B4C19D26 -52.76 1.58 -8.64 -0.31 1
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139762 52590751 1 BrO2N3C18H23 AB2C3D18E23 -31.84 5.73 0.0 0.0 0
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139763 52590829 1 N3O4C14H19 A3B4C14D19 -91.73 10.46 -8.94 -1.05 0
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139764 52590830 1 N3O3C18H19 A3B3C18D19 5.28 8.25 -9.09 -1.09 0
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139765 52591034 1 OCl3N3C19H20 AB3C3D19E20 -23.41 3.81 -9.14 -0.57 0
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139766 52591326 1 O2F3N3C21H26 A2B3C3D21E26 -205.55 3.63 -8.99 -0.43 0
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139767 52592109 1 FO2N3C20H24 AB2C3D20E24 -100.64 4.7 -7.88 -0.22 1
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139768 52592181 1 O2N4C20H29 A2B4C20D29 -24.33 1.62 0.0 0.0 0
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139769 52592206 1 ON3C20H25 AB3C20D25 -13.32 3.3 -7.78 0.03 0
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139770 52592241 1 ClON2C17H17 ABC2D17E17 -10.98 2.99 -8.59 -0.43 1
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139771 52592604 1 OF3N3C20H23 AB3C3D20E23 -147.07 6.11 0.0 0.0 0
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139772 52592701 1 ON2C22H28 AB2C22D28 -25.26 4.05 -8.84 0.25 0
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139773 52593444 1 O2F3N3C19H26 A2B3C3D19E26 -248.23 6.57 -9.0 -0.59 1
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139774 52593566 1 N3O3C23H26 A3B3C23D26 -32.27 3.22 0.0 0.0 0
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139775 52593776 1 ON2C20H24 AB2C20D24 -20.5 3.21 -8.39 0.15 0
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139776 52594202 1 SF3O3N4C18H19 AB3C3D4E18F19 -231.53 6.85 -9.39 -0.98 0
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139777 52594203 1 SN2O6C18H22 AB2C6D18E22 -207.69 11.67 -8.89 -0.6 1
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139778 52594300 1 BrClO2N3C17H20 ABC2D3E17F20 -30.23 4.6 0.0 0.0 0
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139779 52594321 1 N2O4C23H24 A2B4C23D24 -100.43 2.76 -8.61 -0.2 0
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139780 52594546 1 BrON2C18H21 ABC2D18E21 -12.95 6.11 -8.78 -0.14 0
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139781 52594625 1 O2N3C23H29 A2B3C23D29 -58.05 6.87 -8.86 -0.05 0
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139782 52594868 1 FSO3N4C21H27 ABC3D4E21F27 -123.39 7.13 -9.23 -0.51 0
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139783 52594869 1 SN4O4C22H30 AB4C4D22E30 -121.77 6.12 -9.11 -0.44 0
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139784 52594870 1 SN3O5C21H29 AB3C5D21E29 -174.08 7.36 -9.23 -0.4 0
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139785 52595240 1 SO3N4C14H16 AB3C4D14E16 -63.13 2.93 -8.72 -0.5 1
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139786 52595260 1 O3N4C20H27 A3B4C20D27 -64.59 8.77 0.0 0.0 0
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139787 52595646 1 ClN2O5C23H23 AB2C5D23E23 -136.64 4.28 -8.74 -0.46 0
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139788 52595705 1 N2O3F4H14C16 A2B3C4D14E16 -295.98 4.3 -8.95 -0.59 0
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139789 52595722 1 N2F3O3C18H19 A2B3C3D18E19 -245.85 1.24 -8.84 -0.62 0
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139790 52595776 1 N2O2F3H13C15 A2B2C3D13E15 -187.85 3.94 -9.53 -0.52 0
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139791 52596019 1 O3N5H25C26 A3B5C25D26 -16.89 6.41 -8.81 -0.91 0
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139792 52596215 1 SO2N5C24H29 AB2C5D24E29 -19.23 8.03 -8.76 -0.53 1
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139793 52596216 1 SO2N5C24H30 AB2C5D24E30 -15.63 3.4 0.0 0.0 0
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139794 52596383 2 SN2O2C10H10 AB2C2D10E10 -88.39 7.36 -8.73 -0.89 0
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139795 52596384 1 FSO2N4H21C22 ABC2D4E21F22 -45.93 6.46 -8.75 -1.03 0
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139796 52596385 1 SO3N4C23H24 AB3C4D23E24 -34.79 8.62 -8.35 -0.89 0
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139797 52596615 1 SN3O4C18H27 AB3C4D18E27 -144.68 8.95 -8.93 -0.48 0
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139798 52596622 1 SN3O6C21H27 AB3C6D21E27 -176.09 11.15 -8.56 -0.44 0
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139799 52596988 1 N3O6C22H27 A3B6C22D27 -191.93 1.01 -8.62 -0.55 0
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139800 52597213 1 N3O3C19H23 A3B3C19D23 -92.58 6.34 -8.53 -0.11 1
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139801 52597663 1 N3O3C22H30 A3B3C22D30 -81.42 4.4 0.0 0.0 0
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139802 52598977 1 Br2O2N3H13C17 A2B2C3D13E17 22.26 2.86 -8.98 -0.87 1
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139803 52600191 1 SO2N5C25H26 AB2C5D25E26 19.2 14.89 0.0 0.0 0
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139804 52600522 1 N2O2C17H24 A2B2C17D24 -29.32 5.28 -9.34 -0.16 0
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139805 52600744 1 SO2N4C20H28 AB2C4D20E28 -26.45 1.68 -8.89 -0.52 0
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139806 52600892 1 ON3C11H17 AB3C11D17 46.23 1.75 -9.36 -0.24 0
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139807 52600893 1 ClSN2C17H19 ABC2D17E19 76.27 1.79 -9.1 -0.48 1
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139808 52600894 1 NOF3C14H17 ABC3D14E17 -109.64 22.73 0.0 0.0 0
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139809 52600895 1 NOF3C14H16 ABC3D14E16 -146.16 4.83 -9.2 -0.34 1
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139810 52600896 1 NF3C14H17 AB3C14D17 -89.65 7.66 0.0 0.0 0
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139811 52601044 1 O2F3N3H14C17 A2B3C3D14E17 -164.95 8.94 -9.24 -0.68 0
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139812 52601534 1 FN2O4C17H19 AB2C4D17E19 -82.01 6.97 -9.2 -1.31 1