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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53899 14718338 1 N4H16C17 A4B16C17 121.55 5.08 -8.27 -1.07 0
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53900 14718339 1 N4H16C17 A4B16C17 124.98 2.19 -8.2 -0.62 1
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53901 14718340 1 N4C14H17 A4B14C17 96.37 2.55 0.0 0.0 1
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53902 14718341 1 N4C14H17 A4B14C17 100.33 3.81 0.0 0.0 1
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53903 14718342 1 N4C18H19 A4B18C19 114.39 2.51 0.0 0.0 1
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53904 14718343 1 N4C18H19 A4B18C19 117.68 4.77 0.0 0.0 1
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53905 14718345 1 ClFeNO4C14H23 ABCD4E14F23 133.23 13.29 0.0 0.0 -1
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53906 14718347 1 NS2C4H10 AB2C4D10 15.8 5.38 0.0 0.0 0
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53908 14718361 2 OC11H16 AB11C16 -50.0 4.88 -9.52 0.76 0
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53909 14718362 2 OC11H16 AB11C16 -53.49 5.16 -9.35 0.62 0
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53910 14718363 2 OC11H16 AB11C16 -49.99 6.01 -9.42 -0.07 0
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53911 14718364 1 O2C17H32 A2B17C32 -136.41 1.79 -10.03 0.8 0
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53913 14718366 2 OC9H17 AB9C17 -145.4 2.31 -10.65 -0.16 0
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53914 14718367 1 O2C21H40 A2B21C40 -154.76 1.54 -9.94 0.8 0
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53916 14718369 1 O2C23H38 A2B23C38 -101.61 1.82 -9.4 0.79 0
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53917 14718372 1 SiN2O4C26H38 AB2C4D26E38 -169.69 3.56 -8.24 0.22 0
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53918 14718377 1 N4O11C42H56 A4B11C42D56 -379.3 4.87 -7.8 -1.12 0
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53919 14718386 2 NO2C6H9 AB2C6D9 -202.22 5.04 -10.4 -0.66 0
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53920 14718387 1 N2O3C13H16 A2B3C13D16 -114.82 1.28 -9.28 -0.54 0
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53921 14718390 1 NO4C15H17 AB4C15D17 -166.01 4.28 -9.53 -0.25 0
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53922 14718391 2 O3C7H9 A3B7C9 -238.44 4.8 -8.5 0.18 0
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53923 14718392 4 O2C4H5 A2B4C5 -321.23 1.6 -8.96 -0.23 0
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53924 14718393 1 O9C17H22 A9B17C22 -358.22 2.87 -9.04 -0.28 0
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53925 14718394 1 NaN2O5H17C20 AB2C5D17E20 -188.58 12.15 -8.59 -1.1 0
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53926 14718395 1 NaN2O5H17C20 AB2C5D17E20 -211.88 12.15 -8.94 -1.73 0
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53927 14718397 1 O7C26H26 A7B26C26 -244.23 7.24 -9.08 -1.37 0
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53928 14718401 2 O2C14H21 A2B14C21 -232.31 7.02 -9.55 0.04 0
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53929 14718403 1 O9N12C45H64 A9B12C45D64 -349.9 16.18 -8.83 -0.35 0
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53930 14718407 1 NOC18H21 ABC18D21 6.62 2.94 -8.48 0.31 0
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53931 14718409 1 NOC17H21 ABC17D21 -23.45 0.85 -8.53 0.2 0
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53932 14718410 1 NOC17H21 ABC17D21 -23.45 0.86 -8.53 0.21 0
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53933 14718411 1 NO2C17H19 AB2C17D19 -53.27 4.69 -8.87 -0.11 0
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53934 14718412 1 NO2C17H19 AB2C17D19 -53.28 4.68 -8.88 -0.11 0
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53935 14718413 1 NO2C17H23 AB2C17D23 -78.49 3.56 -8.42 0.26 0
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53936 14718414 1 NO2C17H23 AB2C17D23 -80.94 3.28 -8.5 0.17 0
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53937 14718416 1 NOC17H19 ABC17D19 6.49 1.75 -8.57 0.27 0
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53938 14718418 1 NO2C17H23 AB2C17D23 -83.11 3.79 -8.64 0.22 0
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53939 14718425 1 CNSF3O5 ABCD3E5 -296.03 2.02 -11.61 -2.16 0
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53940 14718426 1 NSF3O3C7H16 ABC3D3E7F16 -301.79 15.42 -10.2 -0.23 0
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53941 14718430 1 N2S2O11H18 A2B2C11D18 -459.83 1.87 -9.25 -1.24 0
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53942 14718431 1 SN2O3C12H32 AB2C3D12E32 -137.11 7.13 -6.31 0.65 0
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53943 14718432 1 SiN2F6C32H72 AB2C6D32E72 -614.86 7.39 -9.01 0.16 0
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53944 14718433 1 BNC3F4H10 ABC3D4E10 -363.16 16.2 -11.8 -0.78 0
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53945 14718434 1 ClNO4C6H16 ABC4D6E16 -38.96 15.92 -11.8 -2.38 0
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53946 14718435 1 FNSO3C6H16 ABCD3E6F16 -210.57 10.42 -10.73 0.62 0
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53948 14718437 1 NO3C19H33 AB3C19D33 -158.52 4.94 -8.9 -0.13 0
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53949 14718438 2 ClNC6H8 ABC6D8 -35.24 1.21 -8.91 -0.79 0
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53952 14718450 1 PO3C11H25 AB3C11D25 -222.0 3.5 -9.67 1.25 0
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53953 14718452 1 OSiN2F3C8H13 ABC2D3E8F13 -218.27 6.48 -10.03 -0.04 0
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53954 14718453 1 NSiO2C24H37 ABC2D24E37 -153.16 9.9 -9.74 0.03 0
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53955 14718457 1 NSiO2C23H31 ABC2D23E31 -125.18 6.05 -9.0 0.1 0
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53956 14718458 1 NOSiC32H55 ABCD32E55 -162.85 5.2 -9.41 1.06 0
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53957 14718459 1 NOSiC32H55 ABCD32E55 -139.19 5.52 -9.16 1.0 0
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53958 14718460 1 NSiO2C24H39 ABC2D24E39 -170.68 6.97 -9.64 0.78 0
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53959 14718461 1 NSiO2C24H39 ABC2D24E39 -166.6 5.72 -9.74 0.72 0
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53960 14718462 1 NSiO2C29H49 ABC2D29E49 -197.29 7.15 -10.11 0.36 0
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53961 14718463 1 NSiO2C29H49 ABC2D29E49 -192.67 7.34 -10.04 0.39 0
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53962 14718465 1 SiO2C27H48 AB2C27D48 -219.91 2.94 -9.89 0.69 0
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53963 14718466 1 SiO2C30H54 AB2C30D54 -234.59 2.86 -8.96 0.72 0
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53964 14718467 1 SiO2C30H54 AB2C30D54 -231.31 3.2 -9.06 0.69 0
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53965 14718469 1 NSiO2C24H37 ABC2D24E37 -148.68 5.65 -9.48 0.74 0
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53966 14718471 1 NSiO2C26H41 ABC2D26E41 -161.93 8.39 -9.38 0.7 0
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53967 14718472 1 NSiO3C26H39 ABC3D26E39 -195.05 6.04 -9.86 -0.1 0
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53968 14718473 1 NSiO3C26H39 ABC3D26E39 -182.97 7.61 -9.6 0.24 0
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53969 14718474 1 SiO3C27H44 AB3C27D44 -232.49 8.12 -8.94 0.09 0
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53970 14718475 1 SiO3C27H44 AB3C27D44 -223.06 5.04 -8.98 0.1 0
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53971 14718476 1 NSiO3C26H39 ABC3D26E39 -184.95 6.13 -9.69 0.11 0
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53972 14718477 1 NSiO3C26H39 ABC3D26E39 -182.5 5.56 -9.84 -0.04 0
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53973 14718478 1 SiO3C24H38 AB3C24D38 -215.64 7.84 -9.58 0.21 0
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53974 14718479 1 SiO3C24H38 AB3C24D38 -210.32 6.57 -9.73 0.07 0
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53975 14718480 1 SiO3C27H44 AB3C27D44 -228.34 7.84 -9.13 0.17 0
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53976 14718481 1 SiO3C27H44 AB3C27D44 -224.9 6.28 -9.16 0.06 0
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53977 14718483 1 O6N7C32H47 A6B7C32D47 -253.37 5.72 -9.34 -0.22 0
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53978 14718484 1 N8O8C41H56 A8B8C41D56 -330.67 11.28 -9.31 -0.45 0
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53979 14718485 1 N8O8C41H56 A8B8C41D56 -324.59 6.36 -9.02 0.02 0