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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39803 8142383 1 ClNOH16C17 ABCD16E17 0.73 2.22 -8.81 -0.88 0
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39804 8142384 1 SN3O3H19C22 AB3C3D19E22 5.02 6.05 -8.77 -1.41 0
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39805 8142386 1 ClN3H18C23 AB3C18D23 119.24 5.13 -8.83 -0.8 0
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39806 8142387 1 FN7C21H24 AB7C21D24 73.49 1.88 -9.08 -0.53 -1
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39807 8142398 1 NO4H12C17 AB4C12D17 -112.62 7.43 0.0 0.0 0
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39808 8142409 1 N2O4H14C21 A2B4C14D21 9.58 5.19 -9.68 -1.69 0
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39809 8142417 2 O3C12H16 A3B12C16 -144.65 5.91 -6.0 -2.54 0
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39810 8142418 2 O3C12H16 A3B12C16 -144.64 5.91 -6.0 -2.54 0
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39811 8142420 1 SN2O5H18C21 AB2C5D18E21 -42.54 3.92 -8.76 -1.03 0
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39812 8142422 1 BrNOH10C13 ABCD10E13 35.6 0.35 -9.04 -0.92 0
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39813 8142428 1 NSO4H21C22 ABC4D21E22 -79.61 4.27 -8.7 -1.18 0
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39814 8142438 2 ON3C4H7 AB3C4D7 62.88 6.8 -9.25 -0.76 0
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39815 8142464 3 FNOC6H6 ABCD6E6 -230.22 2.18 -8.92 -0.55 0
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39816 8142468 1 F3N3O4C19H20 A3B3C4D19E20 -254.83 4.63 -8.55 -0.51 0
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39817 8142476 1 NO2C29H35 AB2C29D35 -47.14 3.43 -8.1 -0.54 0
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39818 8142478 1 NO2H19C21 AB2C19D21 5.73 7.67 -8.26 -0.55 0
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39819 8142479 1 NO2H19C21 AB2C19D21 4.91 7.95 -8.18 -0.5 0
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39820 8142488 1 ON6C21H26 AB6C21D26 60.68 7.45 -8.46 -0.21 0
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39821 8142489 1 N2O2C25H36 A2B2C25D36 -89.51 4.99 -8.35 0.36 0
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39822 8142508 1 OSN2C12H12 ABC2D12E12 32.56 3.85 -9.19 -0.68 0
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39823 8142514 2 NO2C7H8 AB2C7D8 -147.09 7.22 -9.06 -1.17 0
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39824 8142519 1 ClO2N3H10C12 AB2C3D10E12 -23.37 2.49 -9.67 -0.72 0
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39825 8142520 1 ClO2N3H10C12 AB2C3D10E12 -23.38 2.48 -9.67 -0.72 0
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39826 8142522 1 N2O3H18C21 A2B3C18D21 17.01 4.63 -8.56 -1.28 0
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39827 8142526 1 SO3N4C17H22 AB3C4D17E22 -67.29 4.71 -8.19 -0.81 0
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39828 8142527 1 SO3N4C17H22 AB3C4D17E22 -62.15 10.7 -8.42 -1.02 0
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39829 8142529 1 SO2N4C22H28 AB2C4D22E28 -46.87 5.88 -8.47 -0.88 0
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39830 8142532 1 SO3N4C21H26 AB3C4D21E26 -60.3 7.87 -8.21 -0.85 0
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39831 8142534 1 ClSN2O4H11C18 ABC2D4E11F18 -92.91 1.95 -9.28 -1.26 0
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39832 8142535 1 ClSN2O4H11C18 ABC2D4E11F18 -92.87 3.51 -9.28 -1.28 0
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39833 8142537 1 FSO2N4C19H23 ABC2D4E19F23 -83.08 8.05 -8.84 -1.18 0
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39834 8142538 1 FSO2N4C19H23 ABC2D4E19F23 -82.61 12.1 -8.72 -1.07 0
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39835 8142542 1 ClFSO2N4C15H16 ABCD2E4F15G16 -82.01 12.84 -8.91 -1.19 0
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39836 8142543 1 N3O5C23H25 A3B5C23D25 -141.11 3.32 -8.44 -0.43 0
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39837 8142544 1 N3O5C23H25 A3B5C23D25 -140.02 0.55 -8.35 -0.71 0
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39838 8142545 1 NF3O6C19H24 AB3C6D19E24 -430.75 3.93 -9.38 -0.54 0
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39839 8142546 1 NF3O6C19H24 AB3C6D19E24 -430.14 8.07 -9.42 -0.53 0
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39840 8142549 1 NO2C23H23 AB2C23D23 -28.87 2.33 -8.62 -0.19 4
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39841 8142551 2 N3C10H18 A3B10C18 75.78 4.96 -8.76 -0.02 0
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39842 8142554 1 N2F3O5C9H13 A2B3C5D9E13 -278.84 5.58 -9.03 -1.29 0
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39843 8142555 1 N2F3O5C9H13 A2B3C5D9E13 -278.61 5.91 -9.09 -1.36 0
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39844 8142556 1 NOCl3H12C16 ABC3D12E16 18.67 3.2 -8.7 -1.12 0
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39845 8142559 2 BrOC7H8 ABC7D8 -87.07 3.39 -9.83 -0.73 0
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39846 8142561 2 BrOC7H8 ABC7D8 -88.2 6.41 -9.97 -0.52 0
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39847 8142562 1 ON2C19H24 AB2C19D24 10.37 3.71 -9.08 -0.27 0
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39848 8142565 1 NO4C17H27 AB4C17D27 -186.06 2.66 -8.69 -0.46 0
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39849 8142566 4 OC6H9 AB6C9 -205.65 3.03 -8.96 -0.1 0
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39850 8142570 1 BrN3O3H18C19 AB3C3D18E19 -38.34 1.69 -9.13 -0.51 0
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39851 8142571 1 BrN3O3H18C19 AB3C3D18E19 -37.95 7.4 -9.19 -0.49 0
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39852 8142572 1 N3O6H11C20 A3B6C11D20 30.62 7.25 -9.38 -2.42 0