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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150809 53790505 1 O2F3C15H19 A2B3C15D19 -258.8 2.06 -10.2 -0.65 0
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150810 53790506 1 N4O5C12H12 A4B5C12D12 -9.9 5.7 -9.5 -1.57 0
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150811 53790507 1 SBr2N2O2H12C19 AB2C2D2E12F19 17.03 3.43 -8.7 -1.13 0
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150812 53790508 1 N4O4C11H22 A4B4C11D22 -184.09 4.31 -9.91 -0.14 0
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150813 53790509 1 O5C39H74 A5B39C74 -373.47 4.57 -10.34 -0.08 0
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150814 53790510 1 SO2C18H18 AB2C18D18 -43.74 2.14 -8.86 -0.6 0
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150815 53790511 1 O3C25H34 A3B25C34 -136.39 7.11 -8.64 -0.56 0
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150816 53790512 1 FN2O3C17H17 AB2C3D17E17 -134.19 7.2 -8.28 -0.21 0
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150817 53790513 1 SN3O5C33H33 AB3C5D33E33 -103.48 5.71 -8.65 -0.61 0
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150818 53790514 2 OC4H8 AB4C8 -103.0 1.36 -8.66 0.79 0
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150819 53790515 1 N5O6C24H29 A5B6C24D29 -173.94 6.02 -9.38 -0.86 0
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150820 53790516 1 IOC27H45 ABC27D45 -105.89 4.34 -9.14 -0.63 0
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150821 53790517 1 NO5C18H23 AB5C18D23 -194.13 2.89 -9.49 -1.13 0
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150822 53790518 1 PO4C36H39 AB4C36D39 -167.06 4.02 -8.97 -0.09 0
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150823 53790519 1 OC20H40 AB20C40 -118.47 3.08 -9.62 0.61 0
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150824 53790520 1 Cl2N2H12C17 A2B2C12D17 51.51 1.76 -8.92 -0.51 0
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150825 53790521 2 C9H14 A9B14 -34.71 0.53 -8.99 1.64 0
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150826 53790522 1 SN2O2H10C11 AB2C2D10E11 -16.68 4.24 -8.88 -0.83 0
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150827 53790523 1 NCl2O4C18H21 AB2C4D18E21 -134.37 2.45 -8.44 -0.8 1
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150828 53790524 1 N7O7C20H28 A7B7C20D28 -198.7 6.24 0.0 0.0 0
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150829 53790525 1 ClO3N5C31H40 AB3C5D31E40 -100.7 6.15 -8.93 -0.38 0
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150830 53790526 1 O3N4H18C20 A3B4C18D20 42.37 8.59 -7.38 -1.22 0
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150831 53790527 1 O5C32H44 A5B32C44 -225.43 4.3 -8.46 -0.49 0
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150832 53790528 1 O5C24H40 A5B24C40 -272.07 2.21 -9.55 -0.55 0
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150833 53790529 1 NOSC16H17 ABCD16E17 19.84 1.42 -9.35 -0.84 0