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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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377020 134223055 1 N2O3C16H24 A2B3C16D24 -116.05 5.1 -8.42 0.0 0
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377021 134223056 1 N2O3C14H20 A2B3C14D20 -119.74 5.48 -9.1 -0.04 0
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377022 134223057 1 N2O3C16H24 A2B3C16D24 -118.63 4.42 -8.58 0.04 0
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377023 134223058 1 NOC11H15 ABC11D15 -30.85 2.38 -9.44 0.08 0
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377024 134223059 1 ClNOC10H12 ABCD10E12 -36.08 2.29 -9.43 -0.34 0
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377025 134223060 1 BrC11H13 AB11C13 -2.74 1.53 -9.03 0.12 0
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377026 134223061 1 NOC11H15 ABC11D15 -34.2 2.47 -8.97 0.36 0
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377027 134223062 1 NC26H35 AB26C35 21.96 1.83 -8.86 0.38 0
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377028 134223063 1 NOC12H17 ABC12D17 -29.23 1.37 -8.76 0.3 0
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377029 134223064 1 NOC12H17 ABC12D17 -32.74 2.52 -8.94 0.14 0
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377030 134223065 1 NC18H33 AB18C33 -28.31 2.56 -8.92 1.38 0
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377031 134223066 1 NOC12H17 ABC12D17 -30.56 2.59 -9.07 0.14 0
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377032 134223067 1 NOC13H15 ABC13D15 32.62 1.53 -9.13 0.21 0
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377033 134223068 1 NOC13H19 ABC13D19 -38.05 2.54 -9.04 0.16 0
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377034 134223069 1 NOC13H15 ABC13D15 32.5 2.87 -9.06 -0.01 0
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377035 134223070 1 NOC13H19 ABC13D19 -35.74 1.6 -8.74 0.35 0
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377036 134223071 1 NOC13H19 ABC13D19 -37.41 2.28 -8.99 0.17 0
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377037 134223072 1 NOC12H13 ABC12D13 24.87 1.81 -9.24 0.14 0
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377038 134223073 1 NOC13H19 ABC13D19 -25.17 2.43 -8.61 0.24 0
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377039 134223074 1 NOC13H19 ABC13D19 -29.85 2.05 -8.54 0.19 0
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377040 134223075 1 O2N3C17H23 A2B3C17D23 -53.99 3.27 -9.24 -0.44 0
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377041 134223077 2 NC14H26 AB14C26 -79.67 2.38 -8.67 1.4 0
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377042 134223078 1 NO3C16H23 AB3C16D23 -152.32 1.62 -9.25 0.02 0
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377043 134223079 1 NO3C16H23 AB3C16D23 -153.76 1.88 -9.25 0.01 0
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377044 134223080 1 FNOC10H12 ABCD10E12 -77.12 1.44 -9.48 -0.32 0
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377045 134223081 1 FNOC10H12 ABCD10E12 -67.93 3.3 -9.3 -0.17 0
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377046 134223082 1 FNOC10H12 ABCD10E12 -76.32 2.56 -9.56 -0.3 0
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377047 134223083 1 FNOC10H12 ABCD10E12 -76.18 3.2 -9.46 -0.28 0
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377048 134223084 1 NOC12H17 ABC12D17 -40.72 2.82 -9.16 0.13 0
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377049 134223085 1 NOC12H17 ABC12D17 -43.03 3.14 -9.17 0.14 0
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377050 134223086 1 ClNOC11H14 ABCD11E14 -38.58 4.75 -9.23 -0.1 0
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377051 134223087 1 NOF3C11H12 ABC3D11E12 -189.44 4.42 -9.57 -0.63 0
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377052 134223088 1 NOF3C11H12 ABC3D11E12 -191.96 2.81 -9.72 -0.77 0
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377053 134223089 1 NO2C11H15 AB2C11D15 -69.55 4.11 -8.99 0.04 0
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377054 134223090 1 NO2C11H15 AB2C11D15 -67.02 3.84 -8.95 0.02 0
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377055 134223091 1 NO2C11H15 AB2C11D15 -70.17 3.42 -8.86 0.01 0
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377056 134223092 1 NO2C11H15 AB2C11D15 -67.89 3.19 -8.86 0.0 0
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377057 134223093 1 NO2C11H15 AB2C11D15 -56.17 2.04 -8.81 0.18 0
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377058 134223094 1 NO2C11H15 AB2C11D15 -65.4 2.3 -8.96 0.01 0
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377059 134223095 1 NOC12H17 ABC12D17 -44.87 3.48 -8.95 0.22 0
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377060 134223096 1 NOC12H17 ABC12D17 -47.12 3.75 -8.96 0.23 0
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377061 134223097 1 ClNOC11H14 ABCD11E14 -48.16 2.96 -9.37 -0.23 0
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377062 134223098 1 NO2C13H17 AB2C13D17 -77.81 2.74 -8.71 0.05 0
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377063 134223099 2 NO2C12H13 AB2C12D13 -119.43 3.35 -8.71 -0.65 0
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377064 134223100 1 NO2C13H17 AB2C13D17 -75.72 2.43 -8.72 0.04 0
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377065 134223101 1 NOC12H17 ABC12D17 -41.85 2.54 -9.26 0.14 0
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377066 134223102 1 ClNOC11H14 ABCD11E14 -42.77 3.24 -9.45 -0.34 0
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377067 134223103 1 NOC13H19 ABC13D19 -46.58 2.79 -9.13 0.14 0
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377068 134223104 1 NOC13H19 ABC13D19 -44.06 2.55 -9.32 0.07 0
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377069 134223105 1 NOC12H17 ABC12D17 -40.5 2.24 -9.23 0.14 0