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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134712 51743488 1 N2O4C27H38 A2B4C27D38 -164.06 1.78 -9.05 -0.13 0
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134713 51743642 1 N2O5C27H40 A2B5C27D40 -203.06 0.54 -8.34 0.06 0
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134714 51743643 1 N2O5C27H40 A2B5C27D40 -197.49 8.56 -8.61 -0.12 0
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134715 51744018 1 N2O3C27H32 A2B3C27D32 -54.21 1.77 -9.28 0.02 0
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134716 51744019 1 N2O3C27H32 A2B3C27D32 -72.35 2.28 -9.41 0.08 0
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134717 51744102 1 N2O3C24H32 A2B3C24D32 -97.7 2.89 -9.29 0.11 0
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134718 51744487 2 N2O4C13H13 A2B4C13D13 -109.03 1.87 -9.32 -2.44 0
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134719 51744748 1 N2O5C25H28 A2B5C25D28 -146.93 2.91 -8.98 -0.77 0
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134720 51744749 1 N2O5C25H28 A2B5C25D28 -144.74 2.27 -9.01 -0.58 0
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134721 51744871 2 NO3C14H16 AB3C14D16 -179.47 6.44 -8.7 -0.53 0
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134722 51745387 2 ClNO2C11H11 ABC2D11E11 -96.16 6.7 -9.16 -0.82 0
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134723 51745439 1 N2O5C25H28 A2B5C25D28 -127.58 4.55 -8.8 -0.53 0
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134724 51745499 1 N2O6C27H32 A2B6C27D32 -170.36 4.04 -8.74 -0.34 0
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134725 51745930 1 SN2O5C21H28 AB2C5D21E28 -171.07 9.19 -9.75 -0.45 0
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134726 51746269 3 NO2C9H13 AB2C9D13 -178.72 8.45 -9.69 -1.14 0
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134727 51746469 1 N2O3C28H30 A2B3C28D30 -25.66 4.72 -9.09 -0.73 0
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134728 51746470 1 N2O3C30H32 A2B3C30D32 -20.46 7.61 -8.86 -0.88 0
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134729 51746903 1 N2O5C25H28 A2B5C25D28 -138.2 3.54 -8.86 -0.16 0
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134730 51746993 2 NO4C12H13 AB4C12D13 -293.47 3.96 -9.37 -0.9 0
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134731 51747149 1 ClN2O5C24H25 AB2C5D24E25 -158.08 4.78 -9.39 -0.82 0
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134732 51747440 1 Cl2N2O3C27H30 A2B2C3D27E30 -102.1 3.91 -9.07 -0.56 0
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134733 51747540 2 ClNO2C13H14 ABC2D13E14 -126.07 2.25 -8.84 -0.45 0
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134734 51747596 1 N2O4C33H44 A2B4C33D44 -155.6 1.33 -8.63 0.13 0
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134735 51747839 1 SN2O3C32H38 AB2C3D32E38 -82.16 2.08 -8.78 -0.66 0
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134736 51747936 1 N2S2O5C23H32 A2B2C5D23E32 -182.55 7.29 -9.37 -0.45 0
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134737 51748430 1 N3O3C31H39 A3B3C31D39 -75.56 2.84 -8.14 0.3 0
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134738 51748907 1 SN2O5C27H30 AB2C5D27E30 -125.8 7.01 -9.6 -0.41 0
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134739 51748908 1 N2O3C25H32 A2B3C25D32 -92.33 3.08 -9.36 -0.27 0
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134740 51749040 1 N2O3C25H28 A2B3C25D28 -52.17 0.54 -9.12 -0.69 0
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134741 51749041 1 N2O3C25H28 A2B3C25D28 -62.14 6.65 -9.01 -0.41 0
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134742 51749042 1 N2O5C25H26 A2B5C25D26 -127.14 3.19 -8.78 -0.32 0
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134743 51749134 1 N2F3O3C25H29 A2B3C3D25E29 -259.8 6.66 -9.44 -0.66 0
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134744 51750221 2 NO2C9H14 AB2C9D14 -166.36 0.88 -9.58 -0.1 0
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134745 51750406 1 N2O4C27H40 A2B4C27D40 -174.83 3.63 -9.01 -0.09 0
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134746 51750407 1 N2O4C27H40 A2B4C27D40 -174.78 6.69 -9.01 -0.06 0
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134747 51750501 1 N2O3C27H38 A2B3C27D38 -124.7 4.08 -9.33 0.16 0
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134748 51750502 1 N2O3C27H38 A2B3C27D38 -119.54 6.56 -9.16 0.19 0
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134749 51751113 1 ClN3O4C26H34 AB3C4D26E34 -166.4 4.82 -9.6 -0.54 0
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134750 51751396 1 SN2O5C27H30 AB2C5D27E30 -135.79 5.55 -9.25 -0.22 0
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134751 51752328 1 ClN2O4C31H31 AB2C4D31E31 -89.19 5.24 -8.75 -0.6 0
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134752 51752437 1 ClN3O3C26H30 AB3C3D26E30 -72.84 0.7 -8.17 -0.4 0
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134753 51752438 1 ClN3O3C26H30 AB3C3D26E30 -72.09 2.17 -8.11 -0.51 0
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134754 51752439 1 ClN3O3C28H32 AB3C3D28E32 -70.33 4.82 -8.15 -0.53 0
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134755 51752440 1 ClN3O3C28H32 AB3C3D28E32 -69.31 4.4 -8.12 -0.62 0
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134756 51752441 1 ClN3O3C30H38 AB3C3D30E38 -89.43 4.25 -8.14 -0.5 0
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134757 51752442 1 ClN3O3C30H38 AB3C3D30E38 -88.03 5.21 -8.17 -0.5 0
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134758 51752443 1 ClN3O3C26H30 AB3C3D26E30 -60.03 5.59 -8.14 -0.74 0
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134759 51752444 1 ClN3O3C26H30 AB3C3D26E30 -66.85 2.82 -8.25 -0.48 0
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134760 51752445 1 ClN2O3C25H27 AB2C3D25E27 -81.17 3.2 -9.02 -0.6 0
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134761 51752900 1 ClN3O5C26H26 AB3C5D26E26 -72.93 5.97 -9.62 -1.68 0
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134762 51752901 1 ClN3O5C28H32 AB3C5D28E32 -94.23 2.54 -9.57 -1.82 0
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134763 51753489 1 N2O5C21H28 A2B5C21D28 -180.58 4.51 -8.67 -0.13 0
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134764 51753529 1 N2O3C24H34 A2B3C24D34 -118.88 7.14 -8.97 0.01 0
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134765 51753637 1 N2O3C26H38 A2B3C26D38 -128.58 2.03 -9.34 0.06 0
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134766 51753638 1 N2O3C26H38 A2B3C26D38 -127.18 2.71 -9.37 0.0 0
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134767 51753639 1 N2O3C22H30 A2B3C22D30 -108.26 2.05 -9.39 -0.07 0
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134768 51753640 1 N2O3C22H30 A2B3C22D30 -105.3 2.54 -9.37 0.12 0
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134769 51753641 1 ClN3O5C22H28 AB3C5D22E28 -126.34 5.51 -9.66 -1.6 0
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134770 51753728 1 SN2O6C27H32 AB2C6D27E32 -187.29 5.46 -8.75 -0.58 0
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134771 51754000 1 N2O3C34H42 A2B3C34D42 -81.44 2.27 -8.8 -0.36 0
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134772 51754073 1 N3O4C30H47 A3B4C30D47 -209.17 4.56 -9.27 -0.16 0
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134773 51754074 1 N3O4C32H49 A3B4C32D49 -202.76 2.09 -9.19 -0.1 0
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134774 51754075 1 N3O4C32H49 A3B4C32D49 -195.25 5.76 -9.14 0.36 0
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134775 51754216 1 N2O3C29H40 A2B3C29D40 -126.73 6.91 -9.16 -0.4 0
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134776 51754310 1 N3O5C26H35 A3B5C26D35 -130.75 8.98 -9.52 -1.3 0
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134777 51754311 1 N3O5C26H35 A3B5C26D35 -129.03 10.5 -9.55 -1.25 0
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134778 51754693 1 N2O3C23H38 A2B3C23D38 -174.05 3.53 -9.08 -0.06 0
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134779 51754694 1 N2O3C23H38 A2B3C23D38 -179.68 4.38 -9.01 0.07 0
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134780 51754695 1 N2O3C23H38 A2B3C23D38 -182.64 2.89 -9.03 0.04 0
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134781 51754696 1 SN2O5C27H38 AB2C5D27E38 -212.63 6.71 -9.28 -0.55 0
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134782 51754697 1 SN2O5C27H38 AB2C5D27E38 -212.27 8.13 -9.09 -0.76 0
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134783 51754990 1 N2O4C31H46 A2B4C31D46 -185.4 1.63 -9.07 -0.05 0
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134784 51755140 1 N2O3C28H46 A2B3C28D46 -160.51 1.44 -9.31 0.01 0
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134785 51755519 2 NOC14H26 ABC14D26 -175.85 4.2 -9.21 0.99 0
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134786 51755532 1 N2O3C27H44 A2B3C27D44 -146.59 6.45 -9.34 0.27 0
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134787 51755533 1 N2O3C27H44 A2B3C27D44 -147.7 3.23 -9.35 0.2 0
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134788 51755534 1 Cl2N2O2C29H44 A2B2C2D29E44 -140.16 6.56 -9.46 -0.48 0
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134789 51755580 2 NOC15H24 ABC15D24 -132.68 5.07 -9.14 0.03 0
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134790 51755810 1 ClN2O2C27H43 AB2C2D27E43 -147.51 4.02 -9.45 -0.27 0
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134791 51755941 2 NOC17H23 ABC17D23 -86.32 6.78 -9.03 -0.88 0
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134792 51756284 1 SN2O4C31H44 AB2C4D31E44 -162.8 7.98 -9.25 -0.25 0
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134793 51756605 1 N2O2C29H58 A2B2C29D58 -219.59 3.19 -9.21 0.95 0
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134794 51756780 1 N2O2C31H54 A2B2C31D54 -175.04 1.03 -9.12 0.26 0
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134795 51757113 1 N3O4C30H41 A3B4C30D41 -95.05 11.51 -9.52 -1.05 0
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134796 51757416 1 ClN3O4C25H32 AB3C4D25E32 -95.15 4.58 -9.9 -1.61 0
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134797 51757585 2 N2O3C13H20 A2B3C13D20 -126.6 4.17 -9.73 -2.3 0
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134798 51757639 1 BrN2O3C26H35 AB2C3D26E35 -135.21 3.47 -9.03 -0.38 2
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134799 51757654 1 O2N5C21H27 A2B5C21D27 66.73 24.56 -4.93 -1.56 0
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134800 51758283 1 N2O5C27H38 A2B5C27D38 -201.45 5.2 -8.6 -0.21 0
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134801 51758284 1 N2O5C27H38 A2B5C27D38 -197.96 6.72 -8.79 -0.31 0
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134802 51758285 1 N2O3C23H38 A2B3C23D38 -158.83 7.22 -9.39 -0.18 0
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134803 51758286 1 N2O3C23H38 A2B3C23D38 -158.75 4.09 -9.42 -0.3 0
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134804 51759232 1 N3O5C30H43 A3B5C30D43 -162.12 6.35 -9.6 -1.19 0
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134805 51759896 1 N2O3C27H36 A2B3C27D36 -125.2 5.18 -9.34 -0.2 0
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134806 51760037 1 N2O5C25H34 A2B5C25D34 -221.32 5.09 -9.13 -0.71 0
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134807 51760612 2 ClNO2C14H19 ABC2D14E19 -174.42 1.32 -8.58 -0.46 0
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134808 51761544 1 ClN2O2C28H39 AB2C2D28E39 -105.76 2.16 -9.45 -0.3 0
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134809 51761617 1 N2O4C27H42 A2B4C27D42 -192.37 6.66 -8.86 -0.23 0
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134810 51761625 1 N2O5C27H36 A2B5C27D36 -188.66 6.73 -8.95 -0.36 0
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134811 51761732 1 N2O5C25H34 A2B5C25D34 -179.82 5.86 -8.74 -0.24 0