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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135012 51796912 1 ClN2O3C31H31 AB2C3D31E31 -70.05 2.67 -8.89 -0.76 0
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135013 51797041 1 ClN2O5C23H29 AB2C5D23E29 -175.54 7.17 -8.7 -0.28 0
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135014 51797190 1 ClO2F3N3H25C27 AB2C3D3E25F27 -186.28 3.79 -9.82 -1.04 0
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135015 51797929 1 ClN2O2C30H33 AB2C2D30E33 -60.25 5.75 -9.16 -0.52 0
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135016 51798402 1 ClN2O4C22H27 AB2C4D22E27 -159.37 5.41 -8.66 -0.63 0
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135017 51798517 1 ClN2O2C25H33 AB2C2D25E33 -88.49 4.63 -9.35 -0.64 0
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135018 51798565 1 ClSN2O5C25H27 ABC2D5E25F27 -148.0 7.3 -9.58 -0.56 0
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135019 51799025 1 N3O6C30H37 A3B6C30D37 -132.79 7.75 -9.31 -1.33 0
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135020 51799541 1 N2O4C25H38 A2B4C25D38 -173.16 3.07 -9.06 0.13 0
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135021 51799542 1 N2O4C21H30 A2B4C21D30 -147.63 1.1 -8.96 0.22 0
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135022 51799747 2 NO2C13H18 AB2C13D18 -137.88 7.56 -9.37 -0.04 0
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135023 51799748 2 NO2C14H19 AB2C14D19 -133.83 4.4 -8.89 0.02 1
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135024 51799938 1 BrON6H10C14 ABC6D10E14 167.29 5.75 0.0 0.0 0
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135025 51800051 1 N2O4C27H28 A2B4C27D28 -42.61 4.25 -8.64 0.06 0
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135026 51800052 1 N2O4C25H30 A2B4C25D30 -111.81 6.96 -9.13 -0.07 -1
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135027 51800120 1 N3O5C22H22 A3B5C22D22 -112.87 3.83 0.0 0.0 0
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135028 51800174 1 NSO3C12H15 ABC3D12E15 -114.93 3.69 -9.31 -0.49 0
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135029 51800508 1 ClN2O3C27H37 AB2C3D27E37 -146.84 4.77 -9.2 -0.13 0
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135030 51800573 2 NO2C15H22 AB2C15D22 -175.81 4.86 -9.02 -0.14 0
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135031 51800809 1 SN2O6C28H34 AB2C6D28E34 -179.16 8.59 -9.27 -0.25 0
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135032 51801067 1 N2O4C27H40 A2B4C27D40 -177.81 2.14 -8.74 0.12 0
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135033 51801811 1 N2O3C29H36 A2B3C29D36 -97.42 3.51 -9.06 0.23 0
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135034 51801812 1 N2O3C29H36 A2B3C29D36 -98.56 2.86 -8.95 0.11 0
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135035 51801813 1 N2O3C29H36 A2B3C29D36 -96.61 4.2 -9.11 0.11 -1
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135036 51802078 1 BrN3O3H19C27 AB3C3D19E27 50.59 23.12 0.0 0.0 0
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135037 51802251 1 N5H9C15 A5B9C15 183.86 5.92 -10.11 -1.38 0
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135038 51802412 2 NOC17H20 ABC17D20 -40.26 4.08 -9.1 -0.55 0
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135039 51802546 1 N2O2C29H40 A2B2C29D40 -79.81 6.37 -9.18 -0.4 0
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135040 51802547 1 N2O2C29H40 A2B2C29D40 -78.96 6.85 -9.06 -0.4 0
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135041 51802548 1 N2O2C29H40 A2B2C29D40 -60.69 5.74 -9.1 -0.36 0
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135042 51802549 1 N2O2C29H40 A2B2C29D40 -79.41 5.18 -8.98 -0.16 0
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135043 51803130 1 SN2O5C26H34 AB2C5D26E34 -173.61 5.57 -8.86 -0.64 0
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135044 51804055 1 N2O3C26H36 A2B3C26D36 -120.89 3.8 -9.2 -0.05 0
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135045 51804056 1 N2O3C28H38 A2B3C28D38 -115.4 7.12 -9.28 -0.05 0
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135046 51804171 1 SN2O5C27H38 AB2C5D27E38 -195.85 2.36 -9.48 -0.47 0
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135047 51804249 1 N2O3C24H32 A2B3C24D32 -133.9 2.14 -9.04 0.02 0
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135048 51804961 1 N2O2C21H38 A2B2C21D38 -144.73 2.85 -9.35 0.6 0
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135049 51804962 1 N2O2C21H38 A2B2C21D38 -144.21 2.94 -9.44 0.57 0
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135050 51804963 1 N2O2C21H38 A2B2C21D38 -140.64 2.03 -9.47 0.48 0
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135051 51805215 2 NOC12H19 ABC12D19 -112.33 1.25 -9.2 0.13 0
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135052 51805274 2 NOC11H20 ABC11D20 -139.0 2.99 -9.23 0.2 0
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135053 51805275 2 NOC11H20 ABC11D20 -139.77 4.78 -9.15 0.06 0
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135054 51805951 1 N2O4C25H42 A2B4C25D42 -201.5 4.26 -8.47 -0.01 0
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135055 51805952 1 N2O4C25H42 A2B4C25D42 -197.14 6.68 -8.63 -0.16 0
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135056 51806099 1 SN2O6C28H38 AB2C6D28E38 -230.15 4.04 -8.78 -0.45 0
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135057 51806118 1 SN2O6C28H40 AB2C6D28E40 -250.43 7.96 -8.84 -0.26 0
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135058 51806119 1 SN2O6C28H40 AB2C6D28E40 -246.21 5.31 -8.56 -0.37 0
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135059 51806120 1 SN2O6C28H40 AB2C6D28E40 -254.46 2.22 -8.64 -0.42 0
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135060 51806134 1 N2O2C25H40 A2B2C25D40 -137.51 3.02 -9.28 0.26 0
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135061 51806135 1 N2O2C25H40 A2B2C25D40 -135.3 3.99 -9.2 -0.08 0
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135062 51806136 1 N2O2C25H40 A2B2C25D40 -129.81 4.78 -9.11 0.55 0
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135063 51806195 1 N2O2C27H38 A2B2C27D38 -97.19 2.01 -8.86 0.38 0
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135064 51806429 1 SN2O4C28H40 AB2C4D28E40 -172.85 8.34 -9.62 -0.33 0
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135065 51807318 1 BrO2N3C27H36 AB2C3D27E36 -71.36 5.16 -8.26 -0.07 0
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135066 51807407 1 N2O3C30H32 A2B3C30D32 -69.35 7.26 -8.98 -0.88 0
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135067 51807479 1 N2O3C25H40 A2B3C25D40 -162.18 4.23 -9.21 -0.39 0
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135068 51807596 3 NOC8H11 ABC8D11 -113.25 2.86 -8.04 -0.36 0
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135069 51808101 2 NO2C11H16 AB2C11D16 -142.2 1.17 -9.49 -0.48 -1
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135070 51808657 1 SN3O6C18H22 AB3C6D18E22 -205.08 6.28 0.0 0.0 0
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135071 51808658 1 SN3O6C18H23 AB3C6D18E23 -218.69 11.63 -8.74 -1.01 -1
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135072 51808709 1 FSN2O5C21H22 ABC2D5E21F22 -198.61 5.5 0.0 0.0 0
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135073 51808771 1 NSO5C21H29 ABC5D21E29 -217.79 4.2 -8.7 -0.65 0
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135074 51808937 1 SN2O5C23H24 AB2C5D23E24 -135.64 10.61 -9.8 -0.63 -1
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135075 51809072 1 O3N5H20C22 A3B5C20D22 9.04 4.9 0.0 0.0 0
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135076 51809920 1 N3O7C23H27 A3B7C23D27 -176.72 2.13 -8.88 -1.45 0
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135077 51810290 1 N2O3C30H32 A2B3C30D32 -77.74 3.09 -8.77 -0.62 0
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135078 51810402 2 NO2C10H13 AB2C10D13 -133.56 6.1 -9.25 -0.38 0
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135079 51810403 1 Cl2N2O3C22H26 A2B2C3D22E26 -129.24 6.51 -9.46 -0.51 0
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135080 51810404 1 Cl2N2O3C22H26 A2B2C3D22E26 -125.89 6.2 -9.36 -0.66 0
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135081 51810405 1 Cl2N2O3C24H28 A2B2C3D24E28 -126.79 1.88 -9.42 -0.53 0
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135082 51810741 1 SN2O6C25H34 AB2C6D25E34 -257.33 1.61 -9.33 -0.54 0
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135083 51811128 1 Cl2N2O5C23H28 A2B2C5D23E28 -227.33 6.22 -9.41 -0.47 0
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135084 51811407 2 NO2C15H19 AB2C15D19 -133.73 1.29 -8.64 -0.58 0
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135085 51811408 2 NO2C15H19 AB2C15D19 -132.51 5.46 -8.62 -0.58 0
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135086 51811526 3 NOC9H13 ABC9D13 -124.91 3.64 -8.19 0.26 0
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135087 51811824 1 S2N3O4C24H33 A2B3C4D24E33 -132.0 1.7 -8.22 -0.36 0
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135088 51811848 1 SN2O4C23H36 AB2C4D23E36 -180.1 8.04 -9.16 -0.61 0
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135089 51812326 2 NOC13H18 ABC13D18 -94.74 3.03 -9.22 0.18 0
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135090 51812411 1 N2O5C25H32 A2B5C25D32 -183.55 2.74 -8.82 -0.19 0
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135091 51812431 1 N2O7C26H32 A2B7C26D32 -270.22 1.57 -8.78 -0.24 0
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135092 51812736 1 N2O4C27H32 A2B4C27D32 -115.99 2.19 -9.3 -0.1 0
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135093 51813337 1 N2O2C17H30 A2B2C17D30 -118.9 3.6 -8.94 0.55 0
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135094 51813602 2 NOC9H18 ABC9D18 -159.78 1.92 -9.32 0.83 0
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135095 51813603 2 NOC9H18 ABC9D18 -152.79 6.66 -9.34 0.97 0
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135096 51813655 2 NOC9H16 ABC9D16 -133.41 3.62 -9.35 0.58 0
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135097 51813696 1 SN3O4C25H35 AB3C4D25E35 -147.9 10.25 -8.36 -0.08 0
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135098 51813697 1 SN3O4C25H35 AB3C4D25E35 -147.32 10.3 -8.28 -0.26 0
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135099 51813698 1 O2N3C23H37 A2B3C23D37 -112.02 6.32 -8.37 0.14 0
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135100 51813730 2 NO2C12H20 AB2C12D20 -211.38 3.49 -8.73 -0.09 0
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135101 51814477 1 N2O3C14H26 A2B3C14D26 -162.63 2.04 -9.54 0.34 0
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135102 51814478 1 SN2O5C18H26 AB2C5D18E26 -191.78 2.19 -9.7 -0.6 0
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135103 51814658 2 NOC11H18 ABC11D18 -121.73 5.14 -9.37 0.1 0
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135104 51814845 1 SN2O4C26H36 AB2C4D26E36 -169.0 10.03 -9.51 -0.19 0
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135105 51815021 1 SN3O5C28H31 AB3C5D28E31 -149.61 8.39 -9.49 -0.55 0
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135106 51815109 1 N3O3C21H31 A3B3C21D31 -132.88 2.46 -9.42 -0.36 0
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135107 51815114 1 OSCl2N3C25H31 ABC2D3E25F31 -13.04 4.31 -8.52 -0.59 0
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135108 51815116 1 OSCl2N3C25H31 ABC2D3E25F31 -15.4 6.68 -8.3 -0.53 0
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135109 51815130 1 N3O3C21H31 A3B3C21D31 -124.82 6.15 -9.16 -0.67 0
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135110 51815131 1 N3O3C21H31 A3B3C21D31 -119.84 1.99 -9.69 -0.32 0
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135111 51815612 1 SN3O7C26H27 AB3C7D26E27 -148.07 1.14 -9.67 -1.65 0