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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169722 75141458 1 ClO2N4C24H27 AB2C4D24E27 -35.0 5.55 -9.38 -0.36 0
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169723 75141459 1 ClFO2N4C23H24 ABC2D4E23F24 -70.94 4.35 -9.55 -0.47 0
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169724 75141460 1 ClN4O4C20H25 AB4C4D20E25 -132.18 5.84 -9.27 -0.49 0
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169725 75141461 1 ClN4O4C21H27 AB4C4D21E27 -136.36 5.75 -9.27 -0.41 0
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169726 75141462 1 ClO2N4C18H21 AB2C4D18E21 -26.47 5.49 -9.37 -0.32 0
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169727 75141463 1 ClO2N4C23H25 AB2C4D23E25 -31.18 5.55 -9.37 -0.35 0
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169728 75141597 2 OF2N2H10C11 AB2C2D10E11 -192.58 5.5 -9.95 -0.6 0
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169729 75141956 1 FO3N5H22C29 AB3C5D22E29 -15.51 8.71 -9.1 -1.11 0
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169730 75142408 1 O2F3N6C29H37 A2B3C6D29E37 -201.84 6.64 -8.41 -1.04 0
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169731 75142409 1 ClO3N6C24H37 AB3C6D24E37 -112.85 2.79 -8.3 -0.18 0
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169732 75142410 1 ClO3N6C27H35 AB3C6D27E35 -68.93 8.34 -8.34 -0.26 0
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169733 75142411 1 ClFO3N6C27H34 ABC3D6E27F34 -117.25 4.51 -8.32 -0.61 0
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169734 75142412 1 ClO3N6C28H37 AB3C6D28E37 -74.19 8.59 -8.59 -0.27 0
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169735 75142413 1 ClSO3N6C25H33 ABC3D6E25F33 -60.78 4.48 -8.35 -0.65 0
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169736 75142414 1 Cl2O3N6C25H38 A2B3C6D25E38 -126.62 6.35 -8.38 -0.25 0
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169737 75142710 3 NOF2C9H9 ABC2D9E9 -426.62 6.36 -9.74 -0.71 0
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169738 75142915 1 F2O3N4H20C24 A2B3C4D20E24 -117.84 3.75 -9.33 -0.85 0
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169739 75143171 1 F3O3N4C21H21 A3B3C4D21E21 -230.55 5.84 -9.06 -0.75 0
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169740 75143172 1 O3N5C19H21 A3B5C19D21 -54.5 2.25 -9.39 -0.39 0
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169741 75143173 1 O3N5C25H25 A3B5C25D25 -30.43 4.89 -9.25 -0.46 0
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169742 75143311 1 N4O6C25H26 A4B6C25D26 -134.31 0.92 -8.54 -0.48 0
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169743 75143320 1 FN4O5C22H25 AB4C5D22E25 -171.83 7.24 -8.36 -0.33 0
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169744 75143321 2 N2O3C11H13 A2B3C11D13 -172.75 3.87 -8.27 -0.35 0
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169745 75143322 1 N5O6C26H27 A5B6C26D27 -121.94 3.44 -8.43 -0.7 0
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169746 75143323 2 N2O3C12H14 A2B3C12D14 -149.67 0.97 -8.57 -0.33 0
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169747 75143324 2 N2O3C12H14 A2B3C12D14 -163.93 4.63 -8.41 -0.34 0
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169748 75143325 1 F3N4O5H23C26 A3B4C5D23E26 -253.6 4.7 -8.77 -0.82 0
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169749 75143326 1 F3N4O5C23H25 A3B4C5D23E25 -299.63 5.38 -8.36 -0.65 0
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169750 75143422 1 OSN4C20H26 ABC4D20E26 30.49 3.97 -8.56 0.05 0
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169751 75143423 1 OSN4C20H28 ABC4D20E28 -5.02 3.93 -8.57 0.05 0
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169752 75143424 1 OSN3C16H23 ABC3D16E23 -14.02 4.93 -9.08 -1.44 0
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169753 75143854 1 NSO7H21C22 ABC7D21E22 -197.73 6.04 -8.58 -1.17 0
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169754 75143863 1 SN2O7H18C21 AB2C7D18E21 -145.21 5.86 -9.2 -1.69 0
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169755 75143922 1 SO3N4C25H38 AB3C4D25E38 -101.92 4.33 -8.55 -1.42 0
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169756 75144099 1 FN3O3C21H24 AB3C3D21E24 -103.57 4.21 -8.57 -0.54 0
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169757 75144256 2 O2N3C11H16 A2B3C11D16 -58.33 5.92 -8.78 -1.47 0
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169758 75144465 1 P2N7O23C82H135 A2B7C23D82E135 -1241.55 15.94 -8.96 -0.26 -3
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169760 75144654 1 P2N7O25C91H151 A2B7C25D91E151 -1338.27 14.87 -8.91 -0.71 -8
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169761 75144655 1 N2P3O60C124H217 A2B3C60D124E217 -2941.98 9.12 -9.32 -2.6 0
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169762 75144656 1 N2P3O60C124H225 A2B3C60D124E225 -3205.59 7.95 -10.26 -0.84 -4
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169763 75144657 1 SP3N7O19C30H38 AB3C7D19E30F38 -509.37 20.97 -9.11 -6.25 -4
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169764 75144658 1 P3C5H9O14 A3B5C9D14 -667.1 6.46 -11.41 -2.59 0
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169765 75144780 2 PN5O14C50H83 AB5C14D50E83 -1498.64 3.74 -8.95 -0.63 0
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169766 75144781 1 P2N9O27C97H161 A2B9C27D97E161 -1468.05 7.3 -8.66 -0.33 0
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169767 75144782 2 OC8H11 AB8C11 -78.72 4.27 -8.62 0.2 0
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169768 75144783 1 O2C17H24 A2B17C24 -73.25 4.33 -8.31 0.35 0
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169769 75144784 1 O4C17H22 A4B17C22 -159.71 7.51 -9.24 -0.77 0
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169770 75144921 1 O3N5C6H11 A3B5C6D11 -31.34 5.56 -10.27 -1.08 0
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169771 75145410 1 FN4O5C27H29 AB4C5D27E29 -177.1 4.38 -8.6 -0.73 0
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169772 75145578 1 ClO2N3C29H38 AB2C3D29E38 -92.74 5.31 -9.26 -0.32 0
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169773 75145971 1 O6C27H40 A6B27C40 -314.17 2.11 -8.51 0.5 0
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169774 75145972 1 SiO5C31H54 AB5C31D54 -333.91 3.69 -8.45 0.56 0
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169775 75145973 1 SiO5C31H56 AB5C31D56 -322.76 1.95 -8.73 0.86 0
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169776 75146001 1 SO7C15H16 AB7C15D16 -210.16 2.71 -8.76 -1.74 0
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169777 75146095 1 F2O3N4C24H24 A2B3C4D24E24 -82.4 3.38 -8.73 -1.32 0
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169778 75146741 1 O2N4H20C23 A2B4C20D23 -2.51 1.77 -8.56 -0.16 0
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169779 75146742 1 ClNO4H10C15 ABC4D10E15 -90.52 8.38 -9.8 -2.42 0
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169780 75146743 1 FNO4H10C15 ABC4D10E15 -127.65 8.35 -9.98 -2.4 0
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169781 75146919 1 OS2N5C15H15 AB2C5D15E15 107.61 6.88 -8.85 -1.62 0
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169782 75146955 1 BrN3O5H12C15 AB3C5D12E15 -2.14 13.86 -8.87 -1.79 0
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169783 75147081 1 N2O2C25H32 A2B2C25D32 -48.04 5.81 -8.85 -0.44 0
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169784 75147361 2 FON2C13H13 ABC2D13E13 -43.88 10.43 -8.31 -0.5 0
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169785 75148191 1 N4O5C23H30 A4B5C23D30 -171.48 3.49 -9.36 -1.14 0
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169786 75148552 1 ClFN2O2H26C28 ABC2D2E26F28 -53.74 4.39 -8.94 -0.51 0
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169787 75148798 1 NSO4C21H35 ABC4D21E35 -190.19 5.98 -8.85 0.09 0
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169788 75148799 1 NSO5C22H35 ABC5D22E35 -229.36 2.16 -8.86 -0.52 0
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169789 75148805 1 OCl2F4N5C28H31 AB2C4D5E28F31 -188.94 7.83 -9.0 -0.9 0
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169790 75148806 1 OCl2F4N4C27H28 AB2C4D4E27F28 -191.44 5.2 -9.29 -1.01 0
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169791 75148807 1 Cl2O3F4N4C30H34 A2B3C4D4E30F34 -295.97 8.54 -8.84 -0.94 0
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169792 75148989 2 O3C19H24 A3B19C24 -217.4 6.28 -8.87 -0.5 0
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169793 75149800 1 SO2C18H22 AB2C18D22 -59.24 1.64 -8.68 -0.18 0
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169794 75149851 1 BrON3C19H22 ABC3D19E22 -13.54 6.58 -9.25 -0.88 0
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169795 75149899 1 BrPSO2H26C28 ABCD2E26F28 1.96 2.39 -8.44 -0.19 0
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169796 75149900 1 PSO2C32H35 ABC2D32E35 -27.15 2.09 -8.28 -0.03 0
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169797 75150505 2 FN3O3C12H13 AB3C3D12E13 -278.72 4.16 -9.15 -0.85 0
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169798 75150630 1 ClFON2C27H34 ABCD2E27F34 -95.35 5.64 -8.86 -0.31 0
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169799 75150757 1 SO6N9C41H61 AB6C9D41E61 -260.3 5.76 -8.95 -0.91 0
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169800 75150789 1 N2O3C21H26 A2B3C21D26 -106.35 3.65 -9.02 0.0 0
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169801 75150967 1 O2N5C21H25 A2B5C21D25 37.35 10.33 -8.27 -0.34 0
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169802 75150968 1 O3N4C19H20 A3B4C19D20 -8.59 2.92 -8.66 -0.76 0
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169803 75152092 1 OSN3C15H21 ABC3D15E21 -21.83 4.19 -8.8 -0.24 0
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169804 75152233 1 NO7C14H21 AB7C14D21 -334.67 4.33 -10.55 -0.43 0
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169805 75152234 2 O2C9H9 A2B9C9 -123.13 2.16 -9.49 -0.04 0
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169806 75152235 1 N6O17C44H56 A6B17C44D56 -627.34 7.14 -8.88 -1.72 0
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169807 75152415 1 FCl2N2O2C5H13 AB2C2D2E5F13 -210.66 2.23 -9.88 -0.01 0
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169808 75152506 1 ClO4N5C37H58 AB4C5D37E58 -219.04 4.73 -8.8 -0.32 0
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169809 75153245 1 N4O4C21H24 A4B4C21D24 -107.09 8.52 -9.11 -0.4 0
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169810 75153401 1 SiF2N3O3C30H45 AB2C3D3E30F45 -360.72 7.86 -9.01 -0.59 0
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169811 75153476 1 SCl2O4N5H21C29 AB2C4D5E21F29 -40.95 6.8 -9.21 -1.23 0
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169812 75153630 1 N6O9C30H50 A6B9C30D50 -382.56 4.21 -10.03 -0.52 0
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169813 75154220 1 O2F3N3C24H32 A2B3C3D24E32 -241.44 4.7 -8.42 -0.49 0
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169814 75154221 1 O2N3C25H37 A2B3C25D37 -91.63 5.32 -7.91 0.46 0
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169815 75154431 1 FN3O4C28H40 AB3C4D28E40 -213.51 6.46 -8.77 -0.18 0
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169816 75154487 1 PO29C30H53 AB29C30D53 -1359.09 6.61 -10.41 -0.17 0
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169817 75154488 1 N4O19C71H126 A4B19C71D126 -1014.03 12.3 -9.6 0.11 0
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169818 75154489 2 OC5H9 AB5C9 -39.3 1.67 -9.41 0.48 0
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169819 75154490 1 SN2O5C11H16 AB2C5D11E16 -231.38 8.08 -9.52 -0.62 0
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169820 75154809 1 ClSN2O2C26H29 ABC2D2E26F29 -59.82 7.44 -8.64 -0.37 0
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169821 75155046 1 ClSN2O3C21H25 ABC2D3E21F25 -105.54 4.28 -8.78 -0.33 0
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169822 75155353 1 ClN2O4C25H27 AB2C4D25E27 -125.69 3.69 -8.72 -0.72 0