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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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142076 52977097 1 SN2O2Cl3H21C22 AB2C2D3E21F22 -52.21 3.76 -8.9 -0.68 1
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142077 52977098 1 SO2F3N3C24H25 AB2C3D3E24F25 -177.64 3.68 0.0 0.0 0
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142078 52977153 1 FON4C23H27 ABC4D23E27 -29.93 2.6 -8.17 -0.34 0
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142079 52977766 2 SO2N3H8C11 AB2C3D8E11 92.41 5.98 -8.16 -2.38 0
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142080 52977784 1 S2O5N6H18C22 A2B5C6D18E22 -12.69 13.9 -9.03 -2.25 0
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142081 52977785 1 ClSO4N5H12C20 ABC4D5E12F20 93.69 9.32 -9.63 -2.74 0
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142082 52978042 1 ClOS2N3H10C15 ABC2D3E10F15 74.68 6.48 -8.99 -1.56 0
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142083 52978043 1 S2N4O5H12C15 A2B4C5D12E15 -32.23 9.1 -9.65 -2.05 0
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142084 52978044 1 BrSN4O4H17C22 ABC4D4E17F22 44.06 2.59 -8.05 -2.08 0
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142085 52978111 1 BrSO3N5H18C23 ABC3D5E18F23 51.13 9.38 -8.62 -2.01 0
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142086 52978112 1 SO2N4C21H22 AB2C4D21E22 16.02 5.69 -9.07 -1.66 1
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142087 52978213 1 O2N6C21H37 A2B6C21D37 -76.76 10.55 0.0 0.0 0
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142088 52978583 1 Cl2O2N3H15C17 A2B2C3D15E17 22.46 5.73 -9.61 -1.91 0
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142089 52978672 1 SN3O3C26H27 AB3C3D26E27 7.91 7.01 -8.75 -1.88 0
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142090 52978686 1 ClSO2N3C26H26 ABC2D3E26F26 26.33 5.38 -8.74 -1.98 0
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142091 52978700 1 N2O5C21H24 A2B5C21D24 -166.31 6.46 -9.04 -0.87 1
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142092 52978867 1 NO3C25H30 AB3C25D30 -77.91 5.61 0.0 0.0 1
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142093 52978868 1 NOF3C24H25 ABC3D24E25 -160.8 6.12 0.0 0.0 0
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142094 52979186 1 ClNS2O3C23H24 ABC2D3E23F24 -76.54 5.4 -8.7 -0.94 0
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142095 52979187 1 ClNSO4C24H26 ABCD4E24F26 -113.91 2.65 -8.28 -0.73 0
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142096 52979334 1 SO3N4C27H42 AB3C4D27E42 -168.94 7.22 -9.01 -0.7 0
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142097 52979640 1 ON7C32H41 AB7C32D41 44.16 7.68 -8.82 0.15 0
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142098 52979641 1 O3N8C29H36 A3B8C29D36 6.81 13.21 -9.25 -0.39 0
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142099 52979961 1 N3O3C25H29 A3B3C25D29 -56.56 4.84 -8.6 -1.13 1
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142100 52980343 1 OSN3H22C24 ABC3D22E24 38.08 3.79 0.0 0.0 0