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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48881 11528433 1 NO2C6H11 AB2C6D11 -77.52 2.6 -9.07 1.95 0
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48882 11528434 1 ON3C9H9 AB3C9D9 23.41 4.03 -8.96 -0.52 0
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48883 11528435 1 N3C10H13 A3B10C13 52.39 2.06 -9.32 -0.9 0
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48884 11528436 1 O2C11H12 A2B11C12 -22.86 2.7 -8.83 0.22 0
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48885 11528437 1 O2C11H12 A2B11C12 -27.46 1.68 -9.45 -0.55 0
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48886 11528438 1 OSSiC7H16 ABCD7E16 -75.64 4.66 -7.79 1.15 0
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48887 11528439 1 NO2C10H11 AB2C10D11 -65.01 6.39 -9.92 -0.3 0
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48888 11528440 1 NSO2C7H15 ABC2D7E15 -103.85 1.87 -9.19 0.26 0
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48889 11528441 1 NC12H19 AB12C19 -10.85 1.8 -8.34 0.52 0
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48890 11528442 1 BrClC5H6 ABC5D6 34.23 1.9 -10.1 0.11 0
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48891 11528443 1 FON2H7C9 ABC2D7E9 -48.94 7.69 -9.08 -0.73 0
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48892 11528444 1 O3C10H10 A3B10C10 -81.44 2.27 -10.19 -0.43 0
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48893 11528445 1 O2C11H14 A2B11C14 90.27 4.58 -8.77 -0.05 0
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48894 11528446 1 OC12H18 AB12C18 -55.43 2.39 -9.01 0.39 0
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48895 11528447 1 N2C11H18 A2B11C18 4.68 2.79 -9.18 0.22 0
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48896 11528448 1 ClSN2O2H3C4 ABC2D2E3F4 -30.4 7.37 -11.15 -1.83 0
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48898 11528450 1 ClN3H6C8 AB3C6D8 60.54 2.0 -9.35 -1.08 0
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48899 11528451 1 OF2H6C10 AB2C6D10 -78.72 1.25 -9.04 -0.86 0
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48900 11528453 1 OC12H20 AB12C20 -73.67 3.46 -9.51 0.85 0
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48901 11528454 1 OSiC10H16 ABC10D16 -88.58 1.03 -9.15 0.32 0
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48902 11528455 1 FN3C9H12 AB3C9D12 -17.08 1.04 -9.33 -0.21 0
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48903 11528456 1 ClNO3C6H12 ABC3D6E12 -175.5 5.5 -9.56 0.68 0
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48904 11528457 1 ClNOH8C9 ABCD8E9 -16.56 5.19 -8.75 -0.17 0
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48905 11528458 1 FO2C10H11 AB2C10D11 -116.29 1.97 -9.74 -0.06 0
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48906 11528459 1 O3C10H14 A3B10C14 -122.65 5.29 -9.27 0.1 0
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48907 11528461 1 SN2C9H14 AB2C9D14 3.69 1.26 -8.55 -0.11 0
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48908 11528463 1 NO2C10H17 AB2C10D17 -100.54 7.06 -9.04 1.07 0
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48910 11528465 1 NOC9H9 ABC9D9 -11.56 3.95 -9.8 -0.72 0
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48911 11528466 1 PO2C9H13 AB2C9D13 -100.94 1.12 -9.43 0.26 0
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48912 11528468 1 O3C10H16 A3B10C16 -158.54 4.11 -10.29 0.36 0
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48913 11528469 1 O2C11H20 A2B11C20 -81.7 1.05 -9.39 1.21 0
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48914 11528470 1 NO2C10H19 AB2C10D19 -98.28 2.98 -10.02 0.64 0
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48915 11528472 1 ON2H10C11 AB2C10D11 19.75 2.43 -9.75 -0.86 0
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48916 11528473 2 N2C5H5 A2B5C5 105.07 4.76 -8.65 -0.2 0
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48917 11528474 2 NC6H7 AB6C7 43.68 4.77 -9.63 0.05 0
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48918 11528477 1 N3C11H13 A3B11C13 68.58 3.67 -9.39 -0.97 0
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48919 11528478 1 NO2C10H21 AB2C10D21 -131.72 2.23 -9.72 0.55 0
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48920 11528479 1 NC13H17 AB13C17 21.85 0.86 -8.05 0.38 0
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48921 11528480 2 NOH4C5 ABC4D5 -12.33 5.67 -9.44 -1.16 0
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48922 11528481 1 O4C9H16 A4B9C16 -181.74 1.22 -10.28 0.87 0
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48923 11528482 1 O3C10H20 A3B10C20 -144.1 4.08 -10.13 0.62 0
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48924 11528483 1 ON5H7C8 AB5C7D8 47.9 7.43 -8.95 -0.6 0
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48925 11528484 1 NPO2C8H16 ABC2D8E16 -136.17 2.99 -9.68 0.49 0
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48926 11528485 1 ON3C10H11 AB3C10D11 26.57 5.2 -9.46 -0.5 0
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48927 11528486 1 NOC12H15 ABC12D15 22.86 0.8 -9.11 0.06 0
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48928 11528487 1 N3C11H15 A3B11C15 47.66 3.3 -8.42 0.07 0
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48929 11528488 1 N3C11H15 A3B11C15 44.89 3.15 -9.14 -0.85 0
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48930 11528489 1 NC13H19 AB13C19 -4.61 2.79 -8.88 0.72 0
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48931 11528490 1 OH6N6C7 AB6C6D7 125.06 4.81 -9.43 -1.15 0
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48932 11528491 2 NOC5H5 ABC5D5 -40.58 4.55 -8.5 -0.56 0
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48933 11528492 2 OC6H7 AB6C7 -25.37 2.78 -8.2 -0.2 0
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48934 11528493 1 SN2C10H10 AB2C10D10 61.21 5.14 -8.76 -1.05 0
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48935 11528494 1 SC12H14 AB12C14 0.4 2.47 -8.54 0.31 0
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48936 11528495 1 NC13H21 AB13C21 17.47 2.64 -9.14 1.13 0
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48937 11528496 1 O3C11H12 A3B11C12 -100.92 0.87 -9.63 -0.1 0
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48938 11528497 1 O3C11H12 A3B11C12 -74.24 0.76 -9.44 0.04 0
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48939 11528498 2 NOC5H6 ABC5D6 32.56 1.07 -8.05 -1.34 0
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48940 11528499 1 ClN2H9C10 AB2C9D10 30.76 5.44 -8.53 -0.77 0
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48941 11528500 1 O2N3C9H13 A2B3C9D13 -52.68 2.82 -8.69 0.02 0
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48942 11528502 1 ON3C10H15 AB3C10D15 -18.72 2.78 -8.01 0.15 0
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48943 11528503 1 ClNOC9H20 ABCD9E20 -93.18 3.9 -9.9 1.08 0
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48944 11528504 1 NOC9H19 ABC9D19 -54.88 0.76 -9.11 1.95 0
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48945 11528507 1 O3C11H14 A3B11C14 -97.95 2.18 -10.18 0.18 0
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48946 11528508 1 O3C11H14 A3B11C14 -117.17 1.15 -9.67 0.08 0
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48947 11528510 1 SO3C8H18 AB3C8D18 -163.96 3.72 -10.96 0.21 2
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48948 11528511 1 NZnO3C5H7 ABC3D5E7 -113.16 11.16 -7.3 -0.66 0
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48949 11528512 1 BrO3C5H7 AB3C5D7 -133.89 3.76 -10.81 -0.56 0
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48950 11528513 1 N3O3C8H9 A3B3C8D9 -96.82 2.66 -10.67 -1.24 0
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48951 11528514 1 NO3C10H13 AB3C10D13 -125.03 8.97 -9.87 0.63 0
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48952 11528515 1 NO2C11H17 AB2C11D17 -53.77 2.12 -8.97 0.1 0
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48953 11528516 1 ClNF2O2H4C6 ABC2D2E4F6 -153.72 5.06 -10.86 -1.74 0
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48954 11528517 1 O3C11H16 A3B11C16 -145.67 3.11 -9.35 0.67 0
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48955 11528518 2 OC6H10 AB6C10 -114.45 1.8 -9.69 0.47 0
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48956 11528520 1 N3O3C8H11 A3B3C8D11 -86.04 2.92 -9.75 0.07 0
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48957 11528521 1 NO3C10H15 AB3C10D15 -132.85 5.49 -9.12 0.16 0
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48958 11528522 1 F3H9C11 A3B9C11 -111.33 3.43 -9.82 -0.68 0
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48959 11528523 1 N4H10C11 A4B10C11 91.26 2.53 -8.46 -0.64 0
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48960 11528525 1 OC13H26 AB13C26 -89.54 2.16 -9.85 1.07 0
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48961 11528526 1 ClPO3C6H12 ABC3D6E12 -158.03 0.89 -9.55 0.6 0
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48962 11528527 2 ClH4C5 AB4C5 31.2 1.17 -9.7 -0.59 0
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48963 11528528 1 LiNOSC10H10 ABCDE10F10 -41.09 6.83 -8.48 0.16 0
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48964 11528529 1 NO3C10H17 AB3C10D17 -163.87 6.85 -10.08 0.41 0
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48966 11528533 1 O5C9H12 A5B9C12 -200.77 4.05 -10.33 -0.73 0
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48967 11528534 1 O5C9H12 A5B9C12 -169.65 2.88 -9.98 -0.89 0
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48968 11528535 1 ON2C12H12 AB2C12D12 9.87 1.92 -8.54 -0.24 0
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48969 11528536 1 O2N3C9H18 A2B3C9D18 -78.88 1.9 0.0 0.0 0
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48970 11528537 2 OC6H12 AB6C12 -138.88 1.42 -9.82 1.84 0
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48971 11528538 1 NF3O3C6H10 AB3C3D6E10 -301.97 4.31 -9.65 0.69 0
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48972 11528539 1 NO4C9H15 AB4C9D15 -184.16 7.67 -10.61 -0.06 0
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48973 11528541 1 NOC13H15 ABC13D15 -8.09 1.74 -8.04 -0.39 0
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48974 11528543 1 NaC6O6H11 AB6C6D11 -321.45 7.96 -9.93 0.09 0
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48975 11528546 1 OC14H18 AB14C18 49.12 3.01 -9.87 0.47 0
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48976 11528569 1 NO4H9C10 AB4C9D10 -97.59 2.05 -9.14 -1.28 0
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48977 11528570 1 NO3C11H13 AB3C11D13 -107.1 3.43 -9.35 -0.21 0
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48978 11528571 1 NO3C11H13 AB3C11D13 -108.9 2.66 -9.58 -0.66 0
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48979 11528573 1 NOC13H21 ABC13D21 -40.02 3.05 -10.44 1.36 0
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48980 11528574 1 O3C12H16 A3B12C16 -122.76 3.12 -8.84 0.0 0
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48981 11528575 1 O3C12H16 A3B12C16 -126.45 4.22 -10.13 0.46 0
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48982 11528577 1 O2C13H20 A2B13C20 -107.19 2.93 -8.91 0.38 0
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48983 11528579 1 O2C13H20 A2B13C20 -94.76 0.66 -9.45 -0.07 0