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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404812 135071213 1 SnO2C18H36 AB2C18D36 -146.45 2.35 -9.69 0.3 0
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404813 135071214 1 SnO2C18H36 AB2C18D36 -150.34 0.46 -9.72 0.4 0
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404814 135071215 1 NF2S2O3C20H25 AB2C2D3E20F25 -180.36 4.85 -8.17 -0.68 0
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404815 135071216 1 NO7C21H29 AB7C21D29 -255.69 4.59 -8.38 -0.15 0
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404816 135071222 1 O3C14H26 A3B14C26 -187.76 5.32 -10.3 0.94 0
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404817 135071249 1 SN3O4C13H17 AB3C4D13E17 -51.49 4.18 -10.67 -2.1 0
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404818 135071250 2 OC8H10 AB8C10 -34.88 2.86 -9.4 0.31 0
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404819 135071251 1 NOSiC14H29 ABCD14E29 -102.02 4.77 -8.66 1.0 0
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404820 135071255 2 O5C6H11 A5B6C11 -463.47 4.69 -10.36 0.66 0
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404821 135071257 1 NO3C6H13 AB3C6D13 -146.6 1.41 -9.33 1.86 -1
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404822 135071258 1 N2O5C13H17 A2B5C13D17 -191.68 2.4 0.0 0.0 0
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404823 135071259 1 N2O5C13H18 A2B5C13D18 -206.62 4.05 -9.87 -0.31 0
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404824 135071367 1 OSF3C16H19 ABC3D16E19 -172.2 4.55 -9.12 -0.49 0
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404825 135071372 3 OC5H6 AB5C6 -82.08 3.21 -9.82 -0.89 0
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404826 135071374 1 NO2C14H23 AB2C14D23 -63.12 3.46 -9.3 0.1 0
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404827 135071375 1 NO3C13H15 AB3C13D15 -46.34 3.17 -9.0 -0.19 0
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404828 135071376 1 NSO4C28H29 ABC4D28E29 -43.53 3.83 -9.11 -0.95 0
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404829 135071377 1 ClNOH14C15 ABCD14E15 14.0 3.3 -8.45 -0.78 0
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404830 135071378 1 FNOH22C24 ABCD22E24 0.34 4.63 -9.02 -0.71 0
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404831 135071379 1 ClNOH22C24 ABCD22E24 40.73 3.92 -8.42 -0.48 0
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404832 135071380 1 BrNO2C19H20 ABC2D19E20 -42.36 2.54 -9.06 -1.04 0
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404833 135071381 1 NO5C17H23 AB5C17D23 -216.09 3.61 -8.79 0.19 0
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404834 135071382 1 NO2C15H19 AB2C15D19 -20.97 3.99 -9.43 -0.23 0
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404835 135071383 1 NO5C20H25 AB5C20D25 -153.71 5.26 -9.63 -0.14 0
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404836 135071385 1 BrSiO6C17H27 ABC6D17E27 -276.04 2.99 -9.97 -0.88 0
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404837 135071386 1 BrO6C13H19 AB6C13D19 -248.78 2.5 -10.28 -1.05 0
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404838 135071388 1 SO4C23H32 AB4C23D32 -138.79 6.42 -8.91 -0.41 0
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404839 135071390 1 NSO5C23H29 ABC5D23E29 -141.71 4.1 -9.02 -1.05 0
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404840 135071391 1 NSO5C18H27 ABC5D18E27 -169.57 6.11 -8.99 -0.89 0
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404841 135071392 1 BrNO3C15H18 ABC3D15E18 -90.81 2.78 -9.4 -1.22 0
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404842 135071393 1 NOH25C30 ABC25D30 75.22 4.19 -8.55 -0.44 0
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404843 135071394 1 BrO2C19H19 AB2C19D19 -1.45 1.75 -8.78 -0.13 0
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404844 135071395 1 SiO5C31H44 AB5C31D44 -259.03 3.67 -9.02 0.05 0
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404845 135071397 1 BrO5C21H21 AB5C21D21 -183.33 2.18 -9.8 -0.56 0
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404846 135071400 1 O3C17H20 A3B17C20 -66.46 3.45 -8.71 -0.1 0
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404847 135071402 1 NSO2C12H23 ABC2D12E23 -94.14 3.45 -8.37 0.41 0
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404848 135071404 1 IO2C9H15 AB2C9D15 -79.02 1.65 -9.44 -1.14 0
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404849 135071405 1 ON4H10C13 AB4C10D13 137.5 2.69 -9.0 -1.29 0
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404850 135071406 1 BrN2H13C14 AB2C13D14 69.89 0.98 -8.59 -0.36 0
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404851 135071407 1 NO2C22H25 AB2C22D25 -4.3 4.58 -8.58 -0.63 0
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404852 135071476 1 O4N5C12H23 A4B5C12D23 -103.53 3.12 -9.66 -0.6 0
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404853 135071517 1 NSO5C21H25 ABC5D21E25 -123.41 5.75 -8.95 -0.92 0
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404854 135071518 1 BrNO2H24C27 ABC2D24E27 56.72 3.07 -8.63 -0.6 0
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404855 135071522 1 ClN2H17C23 AB2C17D23 121.01 6.86 -8.85 -0.63 0
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404856 135071523 1 O4C17H22 A4B17C22 -160.76 3.1 -8.81 0.16 0
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404857 135071525 1 O2C15H16 A2B15C16 2.05 4.01 -9.77 -0.35 0
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404858 135071527 1 NO7C18H25 AB7C18D25 -288.64 6.08 -8.87 -0.17 0
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404859 135071528 1 N2O7C16H20 A2B7C16D20 -210.41 8.22 -9.63 -1.39 0
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404860 135071529 1 SO3C14H18 AB3C14D18 -110.32 2.58 -8.7 -0.08 0
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404861 135071530 1 O2S2C7H12 A2B2C7D12 -50.98 0.89 -8.2 -0.1 0
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404862 135071531 1 OS2H18C20 AB2C18D20 55.11 4.83 -8.32 -0.64 0
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404863 135071532 1 OS2F3H15C17 AB2C3D15E17 -124.77 4.54 -8.38 -0.63 0
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404864 135071533 1 OC13H20 AB13C20 -15.98 2.62 -9.13 0.58 0
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404865 135071534 1 N4O7C22H38 A4B7C22D38 -357.9 5.58 -9.95 0.28 0
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404866 135071536 1 SiO6C48H56 AB6C48D56 -166.42 3.37 -9.05 -0.02 0
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404867 135071537 1 BrO7H21C26 AB7C21D26 -211.48 5.4 -10.02 -0.92 0
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404868 135071538 1 SiO6C34H46 AB6C34D46 -221.62 5.39 -8.7 -0.39 0
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404869 135071539 1 SO2C17H18 AB2C17D18 -31.76 6.2 -9.54 -0.45 0
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404870 135071540 2 O4C9H13 A4B9C13 -277.89 3.52 -9.92 0.09 0
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404871 135071541 1 O8C19H28 A8B19C28 -284.34 2.85 -9.92 0.0 0
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404872 135071544 1 NSO2C14H27 ABC2D14E27 -105.62 2.45 -8.32 0.42 0
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404873 135071545 1 NO2C23H27 AB2C23D27 -52.38 2.31 -9.51 0.06 0
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404874 135071548 1 IO2C17H19 AB2C17D19 -13.24 1.87 -9.4 -0.66 2
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404875 135071549 1 NPdF2P2C26H41 ABC2D2E26F41 -12.04 7.58 -6.9 0.52 0
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404876 135071550 1 INC14H16 ABC14D16 90.65 3.25 -9.43 -0.91 0
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404877 135071552 1 N3H9C14 A3B9C14 137.94 6.09 -8.9 -1.03 0
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404878 135071553 1 NO2C14H19 AB2C14D19 -73.2 4.14 -8.45 0.17 0
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404879 135071555 1 BrFH10C13 ABC10D13 -6.66 2.46 -9.5 -0.28 0
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404880 135071557 1 NOC13H17 ABC13D17 -30.84 4.39 -8.7 0.21 0
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404881 135071559 2 O2C13H13 A2B13C13 -109.77 3.16 -8.6 -0.22 0
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404882 135071561 2 OH8C9 AB8C9 -34.6 1.98 -8.29 -1.04 0
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404883 135071565 1 NSO3H15C16 ABC3D15E16 18.15 5.14 -9.44 -0.62 0
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404884 135071566 1 NSO3H17C20 ABC3D17E20 30.56 5.96 -9.08 -0.72 0
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404885 135071567 2 OC10H12 AB10C12 13.59 3.5 -9.35 0.35 0
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404886 135071622 1 N2O5C18H22 A2B5C18D22 -197.84 2.9 -9.52 -1.38 0
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404887 135071659 1 N2O2F3C15H15 A2B2C3D15E15 -180.04 3.2 -9.31 -1.04 0
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404888 135071664 1 FN3H10C14 AB3C10D14 86.74 3.58 -8.96 -0.82 0
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404889 135071667 1 BrON3C12H12 ABC3D12E12 6.81 2.33 -9.24 -0.55 0
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404890 135071669 1 NO2C20H27 AB2C20D27 -45.79 3.68 -8.01 -0.07 0
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404891 135071670 1 N2O3H22C27 A2B3C22D27 27.94 2.17 -8.56 -0.56 0
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404892 135071672 1 SN2O7C21H24 AB2C7D21E24 -125.84 2.13 -9.1 -2.22 0
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404893 135071674 1 BrFNO2H19C23 ABCD2E19F23 40.28 4.45 -8.99 -0.59 0
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404894 135071675 1 NSO2C18H21 ABC2D18E21 -40.71 5.4 -8.61 -0.26 0
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404895 135071676 1 ClN2O4C23H27 AB2C4D23E27 -87.6 5.08 -9.3 -0.06 0
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404897 135071680 1 SiO6C35H54 AB6C35D54 -267.84 5.38 -8.75 -0.6 0
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404898 135071682 1 NOC19H31 ABC19D31 -35.78 4.04 -8.76 0.21 0
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404899 135071684 1 SN2O3C15H22 AB2C3D15E22 -96.3 4.63 -9.29 -0.56 0
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404900 135071685 2 ClNH6C10 ABC6D10 98.28 2.6 -9.38 -1.26 2
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404901 135071686 1 NPdP2C28H47 ABC2D28E47 33.65 7.66 -5.39 0.94 0
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404902 135071691 1 NOC15H19 ABC15D19 -11.88 4.58 -8.7 0.18 0
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404903 135071694 1 SiN2C23H24 AB2C23D24 59.9 2.53 -8.37 -0.13 0
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404904 135071695 1 BrFNOH17C18 ABCDE17F18 -31.22 3.89 -9.59 -0.32 0
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404905 135071696 1 NSO3C30H31 ABC3D30E31 27.88 5.0 -9.15 -0.39 0
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404906 135071697 1 NSSiO3C26H33 ABCD3E26F33 -55.01 5.66 -8.72 -0.49 0
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404907 135071698 2 OC12H13 AB12C13 9.11 2.24 -9.46 0.08 0
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404908 135071700 1 BrN2O2H15C17 AB2C2D15E17 15.65 2.25 -8.3 -0.66 0
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404909 135071702 1 BrNOH22C24 ABCD22E24 42.55 4.22 -9.3 -0.45 0
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404910 135071703 1 NSO2C22H23 ABC2D22E23 32.98 5.25 -9.3 -0.4 0
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404911 135071704 1 NSO2C17H21 ABC2D17E21 7.15 5.46 -9.59 -0.34 0
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404912 135071705 1 NSO4C31H33 ABC4D31E33 -45.41 6.51 -9.27 -0.44 0