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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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70052 47207205 1 ClNSO3C12H12 ABCD3E12F12 -82.19 4.16 -9.36 -1.06 0
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70053 47207206 1 SN2O4C9H14 AB2C4D9E14 -119.21 3.78 -9.73 -0.05 0
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70054 47207209 1 NSF2O4C11H13 ABC2D4E11F13 -260.33 3.83 -8.96 -0.46 0
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70055 47207210 1 FNSO3C11H14 ABCD3E11F14 -166.18 3.3 -9.06 -0.29 0
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70056 47207211 1 INSO3C10H12 ABCD3E10F12 -95.79 3.73 -9.37 -0.97 0
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70057 47207216 1 NSO3C12H17 ABC3D12E17 -121.96 2.89 -9.46 0.26 0
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70058 47207218 1 NSCl2O3C10H11 ABC2D3E10F11 -127.42 3.6 -9.56 -0.81 0
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70059 47207220 1 NSO3C12H17 ABC3D12E17 -128.04 2.6 -8.79 -0.12 0
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70060 47207221 1 NSCl2O3C10H11 ABC2D3E10F11 -131.1 3.0 -9.14 -0.74 0
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70061 47207222 1 BrNSO3C10H12 ABCD3E10F12 -113.71 3.93 -9.35 -0.59 0
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70062 47207224 1 NSO3C12H17 ABC3D12E17 -122.97 4.06 -9.61 0.05 0
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70063 47207226 1 NSO5C12H15 ABC5D12E15 -179.72 4.59 -9.09 -0.48 0
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70064 47207228 1 FNSO3C10H12 ABCD3E10F12 -159.83 2.97 -9.26 -0.49 0
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70065 47207234 1 BrNSO3C11H14 ABCD3E11F14 -115.93 2.13 -9.09 -0.51 0
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70066 47207252 1 NSO4C14H21 ABC4D14E21 -166.74 3.31 -8.75 0.17 0
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70067 47207291 1 ClNSF3O3C11H11 ABCD3E3F11G11 -281.5 3.34 -9.6 -1.18 0
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70068 47207313 1 SN2O4C13H16 AB2C4D13E16 -133.89 6.38 -9.46 -0.6 0
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70069 47207316 1 SN2O4C13H16 AB2C4D13E16 -156.72 6.17 -8.45 -0.29 0
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70070 47207356 1 NSO5C12H15 ABC5D12E15 -203.66 2.86 -9.15 -0.6 0
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70071 47207368 1 NSO3C14H21 ABC3D14E21 -136.67 1.68 -9.37 0.08 0
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70072 47207373 1 INSO3C10H12 ABCD3E10F12 -98.43 2.7 -9.01 -0.82 0
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70073 47207378 1 BrNSO3C11H14 ABCD3E11F14 -116.97 6.25 -8.97 -0.34 0
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70074 47207385 1 NSO5C12H15 ABC5D12E15 -200.56 2.8 -9.4 -0.8 0
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70075 47207387 1 SN2O4C12H16 AB2C4D12E16 -163.65 5.12 -8.6 -0.32 0
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70076 47207396 1 NSCl2O3C12H15 ABC2D3E12F15 -141.62 1.23 -9.79 -0.71 0