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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148777 53788446 1 OC22H34 AB22C34 -33.06 0.67 -8.98 1.16 0
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148778 53788447 1 OC22H34 AB22C34 -32.98 0.72 -8.99 1.16 0
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148779 53788448 2 NC11H15 AB11C15 24.35 1.26 -8.48 0.39 0
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148780 53788449 1 NH9C11 AB9C11 85.49 2.23 -8.86 -1.39 0
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148781 53788450 1 NOC6H11 ABC6D11 -29.1 4.14 -9.51 1.04 0
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148782 53788451 1 C7O8H12 A7B8C12 -348.48 2.75 -10.42 -1.2 0
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148783 53788452 1 N3O3C37H43 A3B3C37D43 -38.95 6.33 -8.31 -0.66 0
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148784 53788453 1 SF2O2H22C23 AB2C2D22E23 -101.83 2.0 -8.7 -0.36 0
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148785 53788454 1 OSN5H13C16 ABC5D13E16 63.87 4.12 -9.21 -0.8 0
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148786 53788455 1 S2N3O4C21H23 A2B3C4D21E23 -90.9 3.42 -9.3 -1.11 0
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148787 53788456 1 O7C16H20 A7B16C20 -251.96 4.34 -8.86 -0.46 0
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148788 53788457 1 OSN2C18H24 ABC2D18E24 -36.2 1.82 -8.61 -0.5 0
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148789 53788458 1 N2O3H20C21 A2B3C20D21 -54.76 4.52 -9.37 -1.11 0
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148790 53788459 1 N2C11H18 A2B11C18 -5.2 4.86 -8.5 1.13 0
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148791 53788460 1 O2N5C17H17 A2B5C17D17 16.25 6.21 -8.42 -0.68 0
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148792 53788461 1 SN2O6H28C30 AB2C6D28E30 -168.85 3.82 -9.48 -1.19 0
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148793 53788462 1 N2O2S2F3C12H19 A2B2C2D3E12F19 -236.08 1.06 -8.61 -0.3 0
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148794 53788463 1 NSSiO3C15H25 ABCD3E15F25 -173.54 4.26 -8.99 -0.1 0
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148795 53788464 1 O4F6H16C21 A4B6C16D21 -456.33 5.53 -9.93 -0.84 0
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148796 53788465 1 ON2C18H36 AB2C18D36 -106.17 3.97 -9.52 1.26 0
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148797 53788466 1 N2O3C12H20 A2B3C12D20 -157.82 4.13 -9.82 -0.32 0
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148798 53788467 1 NOF4C25H31 ABC4D25E31 -233.17 3.73 -8.87 -0.6 0
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148799 53788468 1 F2N4O9H32C34 A2B4C9D32E34 -289.8 9.94 -8.05 -0.7 0
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148800 53788469 1 Cl2N3O4C35H37 A2B3C4D35E37 -96.0 1.49 -8.49 -0.96 0
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148801 53788470 1 SCl2N2O5C17H18 AB2C2D5E17F18 -180.17 11.84 -9.82 -2.06 0
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148802 53788471 1 N2O7H16C17 A2B7C16D17 -209.17 7.85 -8.67 -1.72 0
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148803 53788472 2 NOC6H6 ABC6D6 -7.06 3.5 -8.54 -0.76 0
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148804 53788473 1 S2N4O5C21H24 A2B4C5D21E24 -150.93 5.81 -8.36 -0.96 0
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148805 53788474 1 N3O5C21H35 A3B5C21D35 -239.05 5.35 -9.74 -0.72 0
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148806 53788475 1 N4O6C43H62 A4B6C43D62 -292.85 8.57 -8.67 -0.3 1
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148807 53788476 1 N2O6C23H23 A2B6C23D23 -165.59 10.66 0.0 0.0 0
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148808 53788477 1 S2N5O5C21H29 A2B5C5D21E29 -136.36 7.28 -9.12 -0.83 0
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148809 53788478 1 N5C13H13 A5B13C13 86.5 3.73 -8.94 -0.89 0
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148810 53788479 1 NO2F5C28H28 AB2C5D28E28 -311.28 2.39 -9.97 -0.78 1
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148811 53788480 1 O2S2N3C20H26 A2B2C3D20E26 -9.88 2.79 0.0 0.0 0
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148812 53788481 1 NSCl2C20H25 ABC2D20E25 6.84 4.59 -8.55 -0.56 0
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148813 53788482 1 FNCl2O5H22C25 ABC2D5E22F25 -194.97 6.03 -8.55 -0.94 0
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148814 53788483 2 OC11H17 AB11C17 -7.92 4.73 -8.07 -0.02 0
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148815 53788484 1 NOSCl2F3H10C17 ABCD2E3F10G17 -152.72 3.41 -8.73 -0.86 0
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148816 53788485 1 SCl3N4O4C34H37 AB3C4D4E34F37 -107.19 6.68 -8.75 -1.36 0
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148817 53788486 1 ClS2O3N4H19C20 AB2C3D4E19F20 -34.48 6.04 -9.21 -1.59 0
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148818 53788487 1 IO2C5H7 AB2C5D7 -60.5 2.39 -9.95 -1.33 0
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148819 53788488 1 OSN3C23H25 ABC3D23E25 19.54 3.19 -8.91 -0.86 0
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148820 53788489 1 NO4C14H23 AB4C14D23 -191.97 3.9 -9.94 -0.58 0
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148821 53788490 1 C7H12 A7B12 -9.95 0.89 -9.63 1.48 0
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148822 53788491 1 NO3C23H29 AB3C23D29 -101.55 2.51 -8.83 0.14 0
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148823 53788492 1 OCl3C9H11 AB3C9D11 -54.47 4.23 -9.96 -0.26 0
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148824 53788493 1 NSO3C14H19 ABC3D14E19 -116.01 4.64 -9.11 -0.35 0
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148825 53788494 1 N3O8C45H79 A3B8C45D79 -455.41 5.05 -9.79 -0.1 0
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148826 53788495 1 SO2N3C16H21 AB2C3D16E21 -46.47 5.16 -9.32 -0.2 0
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148827 53788496 1 NSO3H17C19 ABC3D17E19 -66.06 8.73 -8.92 -1.1 0
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148828 53788497 2 O2C9H15 A2B9C15 -219.41 2.27 -10.26 0.78 1
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148829 53788498 1 ClN2S2O14H52C54 AB2C2D14E52F54 -455.77 6.84 0.0 0.0 0
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148830 53788499 1 ClSF2O5N6C26H33 ABC2D5E6F26G33 -284.95 5.91 -8.9 -1.34 0
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148831 53788500 1 O5C25H38 A5B25C38 -254.7 1.72 -8.66 0.47 0
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148832 53788501 1 FN2O6C32H35 AB2C6D32E35 -235.08 7.11 -8.9 -0.27 0
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148833 53788502 1 NPO5C8H16 ABC5D8E16 -265.48 5.47 -9.14 0.08 0
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148834 53788503 1 NO5C17H25 AB5C17D25 -211.57 2.26 -9.03 -0.58 0
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148835 53788504 1 O2N3C25H31 A2B3C25D31 -37.03 3.95 -8.52 -0.34 0
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148836 53788505 1 N2O2H40C51 A2B2C40D51 116.66 5.44 -8.47 -0.31 0
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148837 53788506 1 ClON2C26H29 ABC2D26E29 18.37 4.57 -8.58 -0.12 0
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148838 53788507 1 NO3C14H15 AB3C14D15 -73.57 5.15 -8.36 -0.48 0
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148839 53788508 1 O3N7C29H29 A3B7C29D29 25.96 4.79 -8.91 -0.96 0
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148840 53788509 1 BrOC20H29 ABC20D29 -62.93 3.35 -8.63 -0.38 0
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148841 53788510 1 O5C13H18 A5B13C18 -149.45 1.93 -10.01 -0.57 0
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148842 53788511 1 OSN2C10H12 ABC2D10E12 26.47 2.12 -8.81 -1.99 0
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148843 53788512 2 ClNO2C6H6 ABC2D6E6 -146.61 5.21 -9.36 -1.12 0
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148844 53788513 1 N3O3C11H17 A3B3C11D17 -96.71 3.46 -9.78 -0.28 1
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148845 53788514 1 N3O3C11H18 A3B3C11D18 -93.87 2.18 0.0 0.0 0
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148846 53788515 1 SN9O9C29H45 AB9C9D29E45 -317.66 5.37 -8.87 -0.97 0
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148847 53788516 1 ClF3O4H14C18 AB3C4D14E18 -268.36 4.77 -9.36 -0.95 0
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148848 53788517 1 SO2N7C28H31 AB2C7D28E31 60.7 4.89 -8.18 -1.03 0
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148849 53788518 1 OS2N3C15H33 AB2C3D15E33 -97.6 2.72 -8.91 0.49 0
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148850 53788519 1 BrSiN3O8C20H26 ABC3D8E20F26 -227.06 5.59 -10.0 -1.46 0
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148851 53788520 1 N2O3C18H32 A2B3C18D32 -166.69 2.25 -9.11 0.83 0
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148852 53788521 1 S2C3H8O8 A2B3C8D8 -349.42 2.45 -11.83 -1.43 0
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148853 53788522 1 O3C17H24 A3B17C24 -131.59 1.37 -9.08 -0.34 0
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148854 53788523 1 OH10C11 AB10C11 34.01 5.15 -9.31 -0.77 0
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148855 53788524 4 NOC3H4 ABC3D4 -2.69 6.2 -9.26 -1.08 0
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148856 53788525 1 NO6C45H65 AB6C45D65 -236.56 5.47 -9.4 -0.03 0
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148857 53788526 1 FN2O4C26H33 AB2C4D26E33 -179.04 5.08 -8.96 -0.76 0
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148858 53788527 1 ON5C22H29 AB5C22D29 57.21 3.97 -8.91 -0.96 0
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148859 53788528 1 ClNSO5C8H10 ABCD5E8F10 -188.77 1.41 -10.62 -0.59 1
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148860 53788529 1 FON5H13C16 ABC5D13E16 40.28 5.84 0.0 0.0 0
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148861 53788530 1 SN4O5C22H22 AB4C5D22E22 -75.33 8.32 -9.13 -1.69 0
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148862 53788531 1 NO2C10H19 AB2C10D19 -118.07 1.2 -8.94 0.92 0
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148863 53788533 1 ClOSH7C8 ABCD7E8 8.48 0.97 -9.1 -1.46 0
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148864 53788534 1 OC9H16 AB9C16 -44.67 1.72 -9.67 0.94 0
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148865 53788535 1 O6C25H38 A6B25C38 -263.62 3.9 -9.19 0.61 0
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148866 53788536 1 N3O4C21H27 A3B4C21D27 -158.13 3.75 -8.9 -0.74 0
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148867 53788537 1 SiF3C28H37 AB3C28D37 -171.23 4.61 -9.39 -0.37 0
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148868 53788538 1 NOSC28H29 ABCD28E29 28.36 1.99 -8.46 -0.43 0
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148869 53788539 1 BrN2O4C19H25 AB2C4D19E25 -167.61 4.94 -8.4 -0.19 0
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148870 53788540 1 NSO2C15H15 ABC2D15E15 -32.02 4.39 -9.07 -0.48 0
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148871 53788541 1 SN3O9H19C22 AB3C9D19E22 -177.78 11.21 -8.95 -1.28 0
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148872 53788542 1 SN3O9H19C22 AB3C9D19E22 -181.07 3.39 -9.15 -1.59 0
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148873 53788543 1 SN3O9H19C22 AB3C9D19E22 -182.69 6.7 -9.24 -1.41 0
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148874 53788544 1 OCl2N2H10C11 AB2C2D10E11 -16.97 4.06 -9.49 -0.59 0
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148875 53788545 1 SN3O9C17H21 AB3C9D17E21 -361.38 9.25 -9.15 -1.28 0
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148876 53788546 2 N3O3C21H29 A3B3C21D29 -211.14 6.23 -8.59 -0.05 0