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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151036 53790733 1 NO2C31H47 AB2C31D47 -86.99 2.08 -8.78 -0.16 0
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151037 53790734 1 O4C25H36 A4B25C36 -171.82 7.49 -8.86 -0.7 0
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151038 53790735 1 ON5C27H35 AB5C27D35 16.72 1.97 -8.36 -0.19 0
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151039 53790736 1 SO2N8F15C41H49 AB2C8D15E41F49 -732.52 8.96 -9.22 -1.0 0
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151040 53790737 1 S3O7N9H15C16 A3B7C9D15E16 -59.33 3.53 -9.06 -1.53 0
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151041 53790738 1 N3O3C16H19 A3B3C16D19 -84.99 5.27 -8.78 -0.59 0
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151042 53790739 1 SN2O2C10H14 AB2C2D10E14 -59.21 5.07 -9.17 -0.12 1
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151043 53790740 1 PO4C19H30 AB4C19D30 -133.64 0.5 0.0 0.0 0
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151044 53790741 1 SC18H20 AB18C20 30.81 1.74 -8.5 -0.04 0
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151045 53790742 1 OC22H44 AB22C44 -132.13 3.44 -9.83 0.48 0
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151046 53790743 1 NO3C6H13 AB3C6D13 -149.33 5.61 -9.89 0.69 0
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151047 53790744 1 O4H10C11 A4B10C11 -136.96 6.68 -9.37 -0.39 0
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151048 53790745 1 SO9C23H30 AB9C23D30 -320.63 7.48 -8.68 -0.77 0
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151049 53790746 1 FN2O3C21H33 AB2C3D21E33 -140.89 8.12 -10.22 -1.47 0
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151050 53790747 1 NOC9H9 ABC9D9 53.76 2.62 -9.24 -0.17 0
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151051 53790748 1 ClSN3O4C22H22 ABC3D4E22F22 -67.3 2.83 -8.34 -1.17 0
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151052 53790749 1 Cl3N3O3C26H32 A3B3C3D26E32 -122.73 10.46 -8.7 -0.67 0
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151053 53790750 1 NO5C25H33 AB5C25D33 -186.45 1.24 -8.2 0.24 0
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151054 53790751 1 IO3N6C9H11 AB3C6D9E11 -21.37 5.64 -9.67 -1.79 0
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151055 53790752 1 O2S3C17H20 A2B3C17D20 -45.27 7.46 -8.86 -0.98 0
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151056 53790753 1 NO6H15C17 AB6C15D17 -192.88 4.82 -9.4 -1.07 0
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151057 53790754 1 NO5C20H21 AB5C20D21 -89.18 5.67 -8.81 -0.46 0
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151058 53790755 1 SO6N8H40C41 AB6C8D40E41 62.16 11.54 -8.22 -2.4 0
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151059 53790756 1 SO2N3C26H27 AB2C3D26E27 58.4 3.54 -8.21 -1.66 0
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151060 53790757 1 NSiO2C11H17 ABC2D11E17 -107.9 5.26 -9.42 -0.1 0
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151061 53790758 1 BrPSO2N3C7H9 ABCD2E3F7G9 -66.88 2.09 -9.48 -1.35 0
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151062 53790759 1 NOC32H65 ABC32D65 -196.81 3.5 -9.72 1.31 0
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151063 53790760 1 O3N4C21H22 A3B4C21D22 -37.33 9.03 -9.46 -0.83 0
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151064 53790761 1 BrS2N6O8H15C16 AB2C6D8E15F16 -195.74 7.59 -9.46 -1.45 0
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151065 53790762 1 ClNOC3H6 ABCD3E6 -18.54 3.33 -9.89 -0.4 0
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151066 53790763 1 N3O4H21C24 A3B4C21D24 16.97 5.45 -9.21 -1.58 0
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151067 53790764 1 ClSN2O6H11C17 ABC2D6E11F17 -187.41 4.7 -10.0 -1.47 0
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151068 53790765 1 N4O7C29H38 A4B7C29D38 -269.79 6.44 -9.51 -0.2 0
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151069 53790766 1 FNO2C21H26 ABC2D21E26 -104.4 3.82 -9.01 -0.56 0
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151070 53790767 1 F3N3O8C31H36 A3B3C8D31E36 -367.26 7.35 -8.75 -1.56 0
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151071 53790768 1 SN2O3C18H24 AB2C3D18E24 -85.99 5.33 -9.25 -0.46 0
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151072 53790769 1 NO2C21H33 AB2C21D33 -115.45 2.37 -9.5 0.23 0
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151073 53790770 1 SN3O6C25H27 AB3C6D25E27 -96.57 8.87 -9.76 -1.21 0
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151074 53790771 1 O2N3H19C20 A2B3C19D20 63.17 5.53 -8.51 -0.48 0
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151075 53790772 1 N2O3C17H18 A2B3C17D18 -71.32 6.74 -9.74 -0.84 0
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151076 53790773 4 OC6H8 AB6C8 -155.71 1.99 -8.62 -0.79 0
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151077 53790774 2 ClN4C16H27 AB4C16D27 -54.47 6.25 -8.84 0.69 0
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151078 53790775 1 NOSiC12H21 ABCD12E21 -92.51 1.77 -8.22 0.13 0
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151079 53790776 1 S2N3O9H23C24 A2B3C9D23E24 -287.84 2.12 -9.04 -0.95 0
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151080 53790777 1 ClNO4C16H16 ABC4D16E16 -131.15 4.13 -8.64 -1.0 0
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151081 53790778 1 ClNO2C8H8 ABC2D8E8 -66.34 2.65 -9.21 -0.69 0
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151082 53790779 1 ON2C19H24 AB2C19D24 -18.51 3.12 -8.71 -0.46 0
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151083 53790781 1 S3N4O5C35H40 A3B4C5D35E40 -117.41 2.7 -8.41 -0.81 0
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151084 53790782 1 NS2O5C17H21 AB2C5D17E21 -174.53 5.43 -8.56 -1.17 0
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151085 53790783 1 O5C17H34 A5B17C34 -273.67 3.73 -10.17 -0.34 0