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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83026 49857030 1 N2O2C21H32 A2B2C21D32 -79.04 3.09 -8.67 -0.2 0
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83027 49857031 1 N2O2C25H32 A2B2C25D32 -44.51 4.71 -8.89 -0.17 0
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83028 49857032 2 NOC11H17 ABC11D17 -83.85 6.8 -8.66 -0.14 0
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83029 49857033 1 N2O2C23H36 A2B2C23D36 -91.96 2.62 -8.59 -0.22 0
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83030 49857035 1 N2O2C21H32 A2B2C21D32 -79.75 2.67 -8.85 -0.2 0
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83031 49857036 1 N2O2C21H32 A2B2C21D32 -77.88 3.53 -8.85 -0.2 0
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83032 49857037 1 ClO3N7C23H24 AB3C7D23E24 22.19 8.17 -8.38 -1.31 0
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83033 49857038 1 ClO3N6C22H23 AB3C6D22E23 -12.97 8.54 -8.28 -1.58 0
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83034 49857039 1 ClO2N7H18C19 AB2C7D18E19 58.9 6.47 -8.26 -1.53 0
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83035 49857040 1 ClO3N6C23H23 AB3C6D23E23 -5.25 4.94 -8.36 -1.44 0
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83036 49857041 1 ClO2N7C23H24 AB2C7D23E24 49.01 10.11 -8.32 -1.44 0
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83037 49857042 1 ClO3N6C22H23 AB3C6D22E23 -6.26 8.74 -8.39 -1.49 0
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83038 49857043 1 F3O3N6H19C21 A3B3C6D19E21 -151.67 4.24 -8.58 -1.55 0
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83039 49857045 1 N3O3H17C18 A3B3C17D18 -43.82 4.99 -9.23 -1.32 0
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83040 49857046 1 F3N4O4H21C25 A3B4C4D21E25 -206.01 6.58 -8.72 -1.23 0
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83041 49857048 1 N4O5C30H32 A4B5C30D32 -79.14 10.11 -9.27 -1.4 0
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83042 49857049 1 N2O3H18C23 A2B3C18D23 -16.04 6.11 -9.17 -1.13 0
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83043 49857050 1 N2O3H20C24 A2B3C20D24 -21.28 5.66 -8.96 -0.91 0
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83044 49857051 1 BrN2O3H15C22 AB2C3D15E22 -0.98 7.24 -9.52 -1.2 0
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83045 49857053 1 F2O2N5H21C22 A2B2C5D21E22 -97.98 3.71 -8.74 -0.51 0
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83046 49857055 1 OF3N5H18C20 AB3C5D18E20 -91.63 5.1 -9.12 -0.51 0
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83047 49857056 1 OF3N5C22H22 AB3C5D22E22 -111.43 3.94 -8.81 -0.44 0
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83048 49857058 3 O2H4C7 A2B4C7 -160.78 4.89 -8.86 -1.58 0
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83049 49857064 1 NSeO3H15C16 ABC3D15E16 3.15 3.28 -9.06 -0.99 0
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83050 49857067 1 N2O8C21H26 A2B8C21D26 -262.46 2.53 -9.77 -0.84 1
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83051 49857068 1 N2O8C21H27 A2B8C21D27 -256.07 7.14 0.0 0.0 0
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83052 49857069 1 O8C21H26 A8B21C26 -325.24 4.76 -9.74 0.02 0
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83053 49857070 1 NO9C23H33 AB9C23D33 -352.36 3.03 -9.69 -0.14 0
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83054 49857071 1 NSSiO4C24H45 ABCD4E24F45 -276.34 4.35 -8.59 0.26 0
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83055 49857075 2 NO4C19H32 AB4C19D32 -428.33 4.51 -9.26 0.72 0
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83056 49857076 1 NSO3C12H15 ABC3D12E15 -94.91 5.67 -9.78 -0.5 0
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83057 49857077 1 NSSiO3C28H35 ABCD3E28F35 -122.41 4.13 -9.01 -0.37 0
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83058 49857078 1 OPSH27C29 ABCD27E29 34.07 9.78 -7.93 -0.54 0
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83059 49857079 1 SiO2H20C21 AB2C20D21 -67.72 2.79 -9.14 -0.02 0
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83060 49857080 1 O3C24H32 A3B24C32 -87.66 1.19 -8.62 0.3 0
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83061 49857081 2 SiO2C17H33 AB2C17D33 -339.95 1.14 -8.77 0.17 0
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83062 49857082 1 Na4P4N10O15C22H28 A4B4C10D15E22F28 -1082.15 4.1 -9.04 -0.59 0
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83063 49857083 1 P4N10O15C22H32 A4B10C15D22E32 -759.1 6.7 -8.98 -0.72 0
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83064 49857084 1 NO4H9C13 AB4C9D13 -20.46 5.88 -9.3 -1.54 0
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83065 49857085 1 NSO3H7C12 ABC3D7E12 5.24 4.18 -8.73 -1.48 0
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83066 49857086 1 NO4H7C12 AB4C7D12 -20.98 4.14 -9.36 -1.63 0
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83067 49857087 1 NS2F3O5H6C13 AB2C3D5E6F13 -213.2 3.85 -8.93 -2.14 0
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83068 49857088 1 SiN5O5C31H49 AB5C5D31E49 -239.35 3.9 -8.62 -0.69 0
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83069 49857111 1 FNO3C12H14 ABC3D12E14 -168.67 5.27 -10.02 -0.46 0
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83070 49857112 1 FNO3C21H22 ABC3D21E22 -151.21 3.22 -9.5 -0.32 0
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83071 49857113 1 BClN2O4C35H40 ABC2D4E35F40 -203.97 4.08 -9.26 -0.31 0
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83072 49857114 1 BClFN2O4C34H37 ABCD2E4F34G37 -238.55 2.08 -9.55 -0.44 0
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83073 49857115 1 BClN2O4C35H40 ABC2D4E35F40 -201.34 1.63 -9.25 -0.4 0
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83074 49857116 1 BClFN2O4C34H37 ABCD2E4F34G37 -241.34 1.93 -9.62 -0.45 0
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83075 49857117 3 OC8H12 AB8C12 -167.52 2.52 -9.98 -0.49 0