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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179559 76499686 1 N4O5C25H26 A4B5C25D26 -115.56 6.72 -8.27 -0.57 0
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179560 76500349 1 O2N3C13H17 A2B3C13D17 11.09 9.5 -9.66 -1.14 1
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179561 76500350 1 S2N5O6H36C37 A2B5C6D36E37 -61.23 7.19 0.0 0.0 0
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179562 76500351 1 N3O4C33H49 A3B4C33D49 -173.16 3.3 -8.66 0.0 0
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179563 76500746 1 SN5O11C39H59 AB5C11D39E59 -506.09 1.99 -9.04 -0.1 0
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179564 76500889 1 NSO2C26H33 ABC2D26E33 -29.3 2.21 -8.39 -0.06 0
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179565 76500899 1 OCl2N3C29H37 AB2C3D29E37 14.82 4.12 -8.4 -0.32 0
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179566 76501046 2 N3O6C18H25 A3B6C18D25 -450.35 6.08 -9.5 -2.38 0
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179567 76501047 1 ClN4O5C39H51 AB4C5D39E51 -198.67 3.72 -9.23 -0.72 0
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179568 76501344 2 N2O2C10H15 A2B2C10D15 -185.53 3.25 -9.62 -0.38 0
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179569 76501348 1 O6C25H44 A6B25C44 -333.42 8.01 -9.83 0.38 0
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179570 76501518 2 N3O4C18H26 A3B4C18D26 -358.86 9.72 -8.6 -0.5 0
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179571 76501691 1 PN5O6C18H38 AB5C6D18E38 -367.95 4.04 -9.46 0.44 0
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179572 76501921 1 NO4C33H41 AB4C33D41 -101.12 6.53 -9.3 -0.34 0
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179573 76501922 3 OC6H10 AB6C10 -177.57 3.51 -10.25 0.52 0
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179574 76501923 1 NO2H7C9 AB2C7D9 -14.15 8.38 -9.4 -1.27 0
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179575 76502239 1 Cl2N4C15H16 A2B4C15D16 56.08 1.73 -8.88 -0.21 0
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179576 76502240 1 OSN4C16H22 ABC4D16E22 -8.35 5.17 -8.86 -0.63 0
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179577 76502315 1 NO5C20H23 AB5C20D23 -197.96 4.64 -9.04 -0.13 0
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179578 76502639 1 N4O5C16H20 A4B5C16D20 -163.94 3.72 -8.45 -0.13 0
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179579 76502796 1 N2F3O6C38H43 A2B3C6D38E43 -261.94 4.61 -8.93 -1.27 0
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179580 76503101 1 O3N5C12H21 A3B5C12D21 -107.86 9.6 -9.71 -0.98 0
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179581 76503355 1 N4O5H24C27 A4B5C24D27 -110.81 4.12 -9.49 -1.34 0
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179582 76503450 1 N5O6H23C25 A5B6C23D25 171.44 3.51 -8.94 -1.1 0
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179583 76503573 1 N2O2F3C29H31 A2B2C3D29E31 -190.75 4.13 -9.36 -0.6 0