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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140738 52749471 1 SO3N4C23H31 AB3C4D23E31 -70.51 9.66 0.0 0.0 0
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140739 52750218 1 BrFN2O3C19H22 ABC2D3E19F22 -125.36 2.5 -9.12 -0.6 0
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140740 52750535 1 ClN2O4C19H21 AB2C4D19E21 -150.61 8.28 -8.72 -0.94 0
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140741 52750681 1 FCl2O2N3H18C20 AB2C2D3E18F20 -72.33 5.7 -9.18 -0.98 0
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140742 52750682 1 FCl2O2N3H18C20 AB2C2D3E18F20 -72.39 6.24 -9.1 -0.96 0
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140743 52750877 2 NO3H12C13 AB3C12D13 -152.2 4.72 -8.98 -1.21 0
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140744 52750878 1 N3O5C16H19 A3B5C16D19 -146.08 2.98 -8.95 -0.49 0
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140745 52750919 1 N2O5H24C25 A2B5C24D25 -140.0 3.58 -8.46 -0.79 0
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140746 52752411 1 FO3N5H20C25 AB3C5D20E25 -88.97 4.78 -8.66 -1.01 0
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140747 52752412 1 FON5H22C26 ABC5D22E26 30.29 4.15 -8.39 -0.66 0
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140748 52752413 1 FSN4O4H19C22 ABC4D4E19F22 -113.99 6.73 -8.51 -1.0 0
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140749 52752414 1 FON4H15C20 ABC4D15E20 15.15 1.7 -8.68 -0.8 0
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140750 52752415 1 O2N4H26C27 A2B4C26D27 9.95 3.53 -9.26 -0.73 0
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140751 52752416 1 SO2N5H21C26 AB2C5D21E26 58.97 2.69 -9.28 -0.95 -1
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140752 52752541 1 SN4O4C24H29 AB4C4D24E29 -96.57 8.75 0.0 0.0 0
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140753 52752654 2 N2O3C12H16 A2B3C12D16 -188.91 5.4 -8.05 -0.77 0
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140754 52753412 1 SO2N5H21C22 AB2C5D21E22 78.93 5.66 -9.49 -1.53 0
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140755 52753846 1 ClSN3O3H16C18 ABC3D3E16F18 -59.84 10.27 -8.7 -1.29 1
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140756 52754167 1 N3O3C25H30 A3B3C25D30 -34.33 4.69 0.0 0.0 0
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140757 52754446 1 ClSO3N4H19C23 ABC3D4E19F23 6.33 6.07 -9.24 -1.2 0
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140758 52754453 1 SO3N6C20H26 AB3C6D20E26 -49.51 9.67 -8.99 -0.97 0
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140759 52754512 1 N3O5C26H35 A3B5C26D35 -187.78 7.34 -9.38 -0.47 0
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140760 52755204 1 N2O2F3C19H21 A2B2C3D19E21 -209.24 2.68 -9.14 -0.1 0
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140761 52755205 1 ClN2O2F3C18H18 AB2C2D3E18F18 -212.95 0.94 -9.37 -0.43 0
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140762 52755378 1 SO2N3C27H27 AB2C3D27E27 17.3 3.66 -8.92 -0.86 0