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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297833 117633319 1 NF2S2O4C7H13 AB2C2D4E7F13 -261.5 1.95 -8.77 -1.01 0
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297834 117633320 1 NF2S2O5C8H13 AB2C2D5E8F13 -306.93 5.8 -8.73 -0.81 0
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297835 117633321 1 PN7O9C29H48 AB7C9D29E48 -384.95 4.91 -8.9 -1.12 0
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297836 117633365 1 P3N6O13C20H35 A3B6C13D20E35 -755.42 10.45 -8.4 -0.63 0
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297837 117633390 1 F3P3N7O10C22H37 A3B3C7D10E22F37 -672.91 8.72 -9.18 -0.27 0
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297838 117633400 3 O2C9H12 A2B9C12 -251.03 5.47 -9.41 -0.54 0
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297839 117633431 1 NO5C11H17 AB5C11D17 -228.84 4.68 -10.07 -0.14 0
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297840 117633455 1 IN2C4H9 AB2C4D9 36.79 2.06 -8.55 -0.81 0
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297841 117633532 1 N3C39H43 A3B39C43 83.73 0.91 -9.24 -0.98 0
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297842 117633564 1 ClSN2O3C22H25 ABC2D3E22F25 -68.57 2.9 -8.25 -0.58 0
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297843 117633568 1 ClN2O4C23H27 AB2C4D23E27 -95.18 2.99 -8.59 -0.46 0
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297844 117633595 1 N2O3C20H22 A2B3C20D22 -82.0 5.19 -8.39 -0.77 0
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297845 117633749 1 ClOSN5H18C19 ABCD5E18F19 55.7 8.01 -8.7 -1.06 0
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297846 117633760 1 HSCl2N2F3C7 ABC2D2E3F7 -100.88 4.41 -9.84 -1.96 0
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297847 117633769 1 OSCl2N3H7C14 ABC2D3E7F14 54.53 3.99 -9.09 -1.65 0
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297848 117633776 1 O25C31H56 A25B31C56 -1130.77 11.1 -10.06 0.09 0
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297849 117633779 1 SO3N4H20C21 AB3C4D20E21 -19.57 4.79 -9.05 -1.35 0
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297851 117633842 1 FSN3O4H34C37 ABC3D4E34F37 -48.93 2.33 -9.23 -1.23 -1
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297852 117633874 1 SN2O4F6H33C38 AB2C4D6E33F38 -303.55 5.94 0.0 0.0 0
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297854 117633912 1 ON2S2C20H20 AB2C2D20E20 32.6 4.8 -8.02 -0.94 0
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297855 117634006 1 FNO4C39H54 ABC4D39E54 -265.46 5.33 -9.2 0.0 0
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297856 117634033 1 NO4C35H69 AB4C35D69 -302.15 4.55 -9.57 0.36 0
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297857 117634079 1 N5O5C18H23 A5B5C18D23 -70.73 1.24 -8.81 -1.2 0
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297858 117634087 1 S3N7O7C29H39 A3B7C7D29E39 -206.62 6.91 -9.11 -1.94 0
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297859 117634092 2 NOC7H7 ABC7D7 -6.06 5.84 -8.51 -1.16 0
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297860 117634250 1 SN3H35C53 AB3C35D53 230.79 2.4 -7.62 -1.19 0
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297861 117634279 1 ON9C30H35 AB9C30D35 119.97 5.54 -8.37 -1.02 0
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297862 117634663 1 SO12C13H20 AB12C13D20 -498.95 6.41 -10.44 -1.39 0
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297863 117634709 1 O6C11H18 A6B11C18 -282.97 4.8 -10.06 0.82 0
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297864 117634768 1 PN8O9C22H31 AB8C9D22E31 -374.13 12.8 -9.09 -0.65 0
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297865 117634949 1 N6O7C24H34 A6B7C24D34 -233.6 5.21 -8.92 -0.74 0
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297866 117635143 1 NO4C16H23 AB4C16D23 -160.87 3.16 -8.9 0.05 1
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297867 117635387 1 PO5C14H28 AB5C14D28 -253.03 9.35 0.0 0.0 0
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297868 117635579 1 OC15H22 AB15C22 -49.38 1.43 -9.33 0.38 0
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297869 117635613 1 ISN4O6C27H39 ABC4D6E27F39 -209.78 5.99 -8.73 -2.36 0
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297870 117635634 1 ClSO2N4C16H23 ABC2D4E16F23 -32.02 5.32 -9.06 -0.74 0
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297871 117635659 1 F4N4O4H30C33 A4B4C4D30E33 -247.98 6.91 -9.26 -1.29 0
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297872 117635686 1 P3N9O15C30H43 A3B9C15D30E43 -514.33 17.06 0.0 0.0 0
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297873 117635704 1 NO2C12H23 AB2C12D23 -119.7 3.27 -8.66 2.03 0
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297874 117635718 1 PSO4C11H21 ABC4D11E21 -197.15 1.8 -8.87 -1.09 0
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297875 117635883 2 NO2C11H14 AB2C11D14 -155.07 3.93 -9.38 -0.04 0
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297877 117636097 1 BrClON2F8H8C16 ABCD2E8F8G16 -404.75 6.3 -9.17 -1.27 0
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297878 117636142 1 O3N5C24H29 A3B5C24D29 -28.2 2.56 -9.08 -0.69 0
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297879 117636301 1 ClN2C21H45 AB2C21D45 -9.91 53.73 -5.16 -2.13 0
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297880 117636343 1 F3N4O4H15C19 A3B4C4D15E19 -232.67 1.63 -9.57 -1.26 0
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297881 117636358 1 SO5C20H24 AB5C20D24 -210.07 4.35 -8.91 -0.35 0
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297882 117636363 1 SO5C17H18 AB5C17D18 -195.29 6.16 -8.71 -0.5 0
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297883 117636366 1 O2H5C6F9 A2B5C6D9 -557.97 3.4 -11.45 -0.42 0
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297884 117636367 1 NO2S2C16H17 AB2C2D16E17 -41.46 3.57 -9.55 -1.78 0
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297885 117636368 1 SO2F3N3C15H16 AB2C3D3E15F16 -181.4 10.08 -9.22 -1.23 0
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297886 117636371 1 NO4H7C8 AB4C7D8 -129.27 5.58 -10.46 -0.69 0
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297887 117636374 1 NSC8H9 ABC8D9 35.97 1.02 -8.35 0.31 0
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297888 117636388 1 O4N7C37H43 A4B7C37D43 -20.12 4.37 -8.25 -1.14 0
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297889 117636393 4 NOC6H7 ABC6D7 -42.66 6.93 -8.52 -0.71 0
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297890 117636398 1 N3O5C23H25 A3B5C23D25 -158.0 2.56 -9.05 -1.21 0
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297891 117636399 1 O3N4C23H26 A3B4C23D26 -79.45 2.76 -9.29 -0.56 0
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297892 117636401 1 BrN2O3C14H15 AB2C3D14E15 -59.96 4.8 -9.46 -0.7 0
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297893 117636402 1 ClFN2O3H20C21 ABC2D3E20F21 -113.51 2.96 -9.32 -0.84 0
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297894 117636409 1 O2C19H28 A2B19C28 -91.86 0.59 -8.25 0.28 0
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297895 117636413 1 FN3O3C23H24 AB3C3D23E24 -96.92 3.64 -8.6 -0.44 0
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297896 117636417 1 ClF3N5O5H19C23 AB3C5D5E19F23 -192.1 5.77 -8.99 -1.88 0
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297897 117636425 1 NPO2C5H10 ABC2D5E10 -70.78 2.23 -8.43 0.65 0
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297898 117636431 6 FOC4H7 ABC4D7 -631.12 5.49 -9.46 1.21 0
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297899 117636433 1 SN4O10C31H42 AB4C10D31E42 -334.15 3.77 -8.39 -1.91 0
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297900 117636435 1 N7O17C39H59 A7B17C39D59 -774.95 6.35 -9.4 -0.51 0
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297901 117636436 2 O2C10H15 A2B10C15 -193.95 7.54 -9.54 -0.56 0
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297902 117636437 1 SN8O14C29H50 AB8C14D29E50 -629.6 11.66 -9.29 -0.51 0
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297903 117636440 1 N7O19C42H65 A7B19C42D65 -855.71 6.33 -9.58 -0.61 0
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297904 117636441 1 N5O14C35H53 A5B14C35D53 -655.02 7.06 -9.48 -0.56 0
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297905 117636442 1 N7O17C42H65 A7B17C42D65 -785.52 12.03 -9.5 -0.54 0
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297906 117636443 1 N7O16C36H61 A7B16C36D61 -762.92 8.4 -10.15 0.01 0
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297907 117636444 1 O2C17H32 A2B17C32 -151.01 0.23 -9.67 0.76 0
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297908 117636446 1 NO4C8H15 AB4C8D15 -194.09 0.72 -10.0 -0.06 0
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297909 117636447 1 N7O16C38H65 A7B16C38D65 -773.67 8.38 -10.36 -0.06 0
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297910 117636448 1 O3N5C24H29 A3B5C24D29 -34.15 1.73 -8.07 -0.71 0
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297911 117636451 1 N7O17C39H59 A7B17C39D59 -775.21 6.18 -9.49 -0.52 0
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297912 117636452 1 NO7C24H35 AB7C24D35 -328.64 7.64 -9.57 -0.59 0
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297913 117636453 1 N9O17C43H75 A9B17C43D75 -848.01 13.32 -9.03 -0.36 0
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297914 117636454 1 N9O16C28H47 A9B16C28D47 -721.16 4.6 -10.26 -0.2 0
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297915 117636456 3 ON2H8C9 AB2C8D9 33.74 4.15 -8.45 -0.88 0
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297916 117636457 3 ON2H8C9 AB2C8D9 28.05 3.73 -8.29 -0.88 0
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297917 117636458 3 ON2H8C9 AB2C8D9 16.5 7.85 -8.15 -0.73 0
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297918 117636467 1 N4O5H26C28 A4B5C26D28 -81.19 8.24 -8.37 -0.98 0
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297919 117636469 1 OF2N2H14C16 AB2C2D14E16 -93.65 4.59 -8.03 -0.54 0
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297920 117636471 1 ON2F4H14C17 AB2C4D14E17 -208.91 6.98 -8.13 -0.96 0
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297921 117636474 1 O3N8C28H28 A3B8C28D28 46.95 5.6 -8.14 -0.87 0
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297922 117636475 1 SO3N6H26C28 AB3C6D26E28 32.75 6.53 -8.16 -0.85 0
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297923 117636480 1 SO2N6C18H18 AB2C6D18E18 53.58 3.81 -9.04 -1.37 0
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297924 117636483 1 N2O2S2H12C13 A2B2C2D12E13 -15.4 6.27 -9.43 -1.07 0
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297925 117636486 1 ON6C14H16 AB6C14D16 58.34 1.55 -9.35 -0.88 0
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297926 117636490 1 O3N5H25C28 A3B5C25D28 16.18 0.96 -8.27 -0.83 0
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297927 117636491 2 O2N3H13C14 A2B3C13D14 -5.67 6.52 -8.17 -0.85 0
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297928 117636502 1 FO3N5H26C29 AB3C5D26E29 -52.15 7.82 -8.01 -0.75 0
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297929 117636505 1 BrO3N6H23C24 AB3C6D23E24 7.25 6.71 -8.23 -0.92 0
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297930 117636512 1 F2O3N4H18C25 A2B3C4D18E25 -93.69 7.77 -8.32 -0.99 0
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297931 117636513 1 O3F4N5H21C26 A3B4C5D21E26 -201.01 9.89 -8.41 -1.1 0
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297932 117636517 1 NO3C20H25 AB3C20D25 -71.41 2.57 -9.35 0.01 0
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297933 117636532 1 OSF3N8C38H41 ABC3D8E38F41 -78.06 4.5 -8.78 -1.03 0
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297934 117636542 1 SF3N7C31H36 AB3C7D31E36 -69.29 2.15 -8.7 -1.01 0
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297935 117636571 1 OSF3N7H26C28 ABC3D7E26F28 -53.72 3.42 -8.83 -0.98 0