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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214952 85083909 1 FSN6O6C32H35 ABC6D6E32F35 -221.7 12.62 -9.16 -1.11 0
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214953 85083910 1 SO5N6H34C35 AB5C6D34E35 -53.91 0.72 -9.26 -1.38 0
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214954 85083913 1 Cl2N2O4C37H44 A2B2C4D37E44 -190.16 6.79 -9.22 -0.66 0
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214955 85083918 1 N8O9C29H48 A8B9C29D48 -379.54 8.6 -9.56 -0.96 0
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214956 85083919 1 N4O8C35H48 A4B8C35D48 -358.17 4.58 -9.62 0.0 0
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214957 85083920 2 N2O3C19H22 A2B3C19D22 -152.32 1.34 -9.07 -0.09 0
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214958 85083923 1 SN3O7H35C36 AB3C7D35E36 -139.22 2.46 -9.08 -0.69 3
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214959 85083924 1 TcS2N4O5C26H42 AB2C4D5E26F42 87.75 3.14 0.0 0.0 0
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214960 85083925 1 N6O8C33H46 A6B8C33D46 -354.71 5.64 -8.48 -0.04 0
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214961 85083926 1 N6O8C33H46 A6B8C33D46 -356.3 9.85 -9.43 -0.17 0
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214962 85083927 1 PSiN2O8C33H43 ABC2D8E33F43 -366.52 4.91 -9.71 -0.3 0
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214963 85083928 1 SO7C38H54 AB7C38D54 -258.54 3.15 -8.32 0.13 0
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214964 85083929 1 P3N7O14C18H24 A3B7C14D18E24 -682.04 13.7 -9.11 -1.1 0
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214965 85083930 1 SCl2N6O6C28H36 AB2C6D6E28F36 -244.31 12.5 -9.27 -1.4 0
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214966 85083931 1 SN6O6C28H34 AB6C6D28E34 -159.5 8.07 -8.75 -1.15 0
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214967 85083932 1 N5O10H29C33 A5B10C29D33 -272.61 5.41 -8.65 -1.86 0
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214968 85083933 1 O3N7C38H53 A3B7C38D53 -115.68 5.34 -8.56 -0.06 0
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214969 85083934 1 O3N5C40H57 A3B5C40D57 -68.32 7.1 -8.23 -0.12 0
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214970 85083935 1 PS3O7N8C23H29 AB3C7D8E23F29 -228.11 13.8 -8.47 -0.95 1
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214971 85083936 1 PS3O7N8C23H30 AB3C7D8E23F30 -223.75 3.58 0.0 0.0 0
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214972 85083937 1 SN2O4H40C41 AB2C4D40E41 -9.24 1.11 -8.68 -0.95 0
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214973 85083941 1 S2N5O8C30H35 A2B5C8D30E35 -203.49 2.8 -8.33 -1.43 0
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214974 85083942 1 O5N9C33H55 A5B9C33D55 -252.5 4.9 -9.45 0.07 0
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214975 85083943 1 ClNPO10C31H45 ABCD10E31F45 -429.69 6.79 -9.59 -1.33 0
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214976 85083944 1 SO6N10C29H42 AB6C10D29E42 -175.49 2.43 -9.32 -0.43 0
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214977 85083945 1 SO5C42H42 AB5C42D42 -85.99 6.13 -8.84 -0.33 0
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214978 85083948 1 N2Si3O5C34H58 A2B3C5D34E58 -316.26 1.11 -8.63 -0.29 0
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214979 85083949 1 FPN7O7C30H43 ABC7D7E30F43 -340.19 6.24 -8.93 -0.99 0
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214980 85083950 1 N2Br4O5H16C18 A2B4C5D16E18 -116.28 5.06 -8.82 -0.87 -1
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214981 85083951 1 BFFeO2N6C34H50 ABCD2E6F34G50 -109.36 10.6 -8.28 -0.69 0
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214982 85083952 1 SN6O9C30H40 AB6C9D30E40 -348.56 5.72 -8.9 -0.57 0
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214983 85083957 1 PS4N5O9C22H24 AB4C5D9E22F24 -309.46 5.83 -9.17 -1.31 0
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214984 85083958 1 N9O10C27H51 A9B10C27D51 -499.07 8.67 -9.3 -0.12 0
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214985 85083959 1 O7N9C31H51 A7B9C31D51 -317.7 12.27 -8.53 0.13 0
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214986 85083960 1 ClN8C27H31 AB8C27D31 167.57 11.31 -8.68 -0.69 0
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214987 85083962 2 PN3O7C11H14 AB3C7D11E14 -636.54 2.9 -9.15 -0.6 0
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214988 85083963 1 Cl2O4N7C33H33 A2B4C7D33E33 -52.11 5.08 -8.53 -0.68 0
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214989 85083964 1 PN2O11C32H43 AB2C11D32E43 -491.44 4.98 -9.33 -0.01 0
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214990 85083965 2 FO4C19H20 AB4C19D20 -338.99 2.97 -9.35 -0.09 0
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214991 85083966 2 N3O3C18H25 A3B3C18D25 -258.48 3.7 -7.93 -0.08 1
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214992 85083967 3 N2O2C12H17 A2B2C12D17 -263.14 7.63 0.0 0.0 0
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214993 85083968 1 O8C39H66 A8B39C66 -459.3 4.93 -9.72 -0.44 0
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214994 85083969 1 Si3O7C34H58 A3B7C34D58 -436.12 3.25 -9.36 -0.56 0
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214995 85083970 1 NSF3O7H28C35 ABC3D7E28F35 -299.87 4.84 -8.69 -1.46 1
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214996 85083971 1 PN3O8C35H43 AB3C8D35E43 -298.46 7.34 0.0 0.0 0
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214997 85083973 1 S2F3N3O4C33H40 A2B3C3D4E33F40 -250.21 8.0 -8.63 -0.97 0
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214998 85083974 1 SO3N7C36H53 AB3C7D36E53 -119.01 5.25 -8.52 -0.41 0
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214999 85083976 1 ClSF3N4O5C25H30 ABC3D4E5F25G30 -304.83 3.12 -8.76 -1.46 0
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215000 85083977 1 IO5C35H37 AB5C35D37 -100.64 3.4 -9.08 -0.85 0
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215001 85083978 1 PSF2N6O7C28H31 ABC2D6E7F28G31 -346.04 6.15 -8.8 -1.44 0
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215002 85083979 2 NO3H18C21 AB3C18D21 -133.73 5.29 -8.84 -0.77 0
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215003 85083981 1 SiN2O8C36H48 AB2C8D36E48 -249.1 7.39 -8.93 -1.32 0
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215004 85083982 1 SO5N6C35H48 AB5C6D35E48 -204.79 7.63 -8.45 -0.04 0
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215005 85083983 1 ClISO4N6H22C25 ABCD4E6F22G25 -11.19 4.57 -9.05 -1.06 0
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215006 85083984 2 SiO3C19H28 AB3C19D28 -337.79 3.08 -8.82 0.13 0
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215007 85083985 1 SnO4C37H38 AB4C37D38 -46.75 3.06 -8.98 0.35 0
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215008 85083986 1 S4N5O10H19C24 A4B5C10D19E24 -231.48 5.85 -9.05 -1.47 0
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215009 85083987 1 F3N5O7C32H42 A3B5C7D32E42 -464.79 3.24 -9.26 -0.24 0
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215010 85083989 1 BrSiO4C37H49 ABC4D37E49 -203.48 4.67 -8.95 -0.21 0
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215011 85083991 1 SN5O5C37H39 AB5C5D37E39 -134.36 8.08 -8.7 -0.55 0
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215012 85083992 1 S2F3O3N5C32H42 A2B3C3D5E32F42 -222.28 9.45 -8.13 -1.29 0
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215013 85083994 1 NO12C32H39 AB12C32D39 -480.14 4.77 -8.96 -1.85 0
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215014 85083995 2 NVO4H12C16 ABC4D12E16 -90.12 9.1 -7.18 -1.74 0
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215015 85083999 3 N2O3C11H14 A2B3C11D14 -310.4 9.83 -9.72 -0.86 0
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215016 85084002 1 N2O9C36H62 A2B9C36D62 -426.91 3.08 -8.93 0.33 0
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215017 85084003 2 S2C20H29 A2B20C29 41.54 1.58 -8.28 -1.27 0
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215018 85084004 3 NPO5C7H14 ABC5D7E14 -895.74 8.2 -9.39 -0.68 0
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215019 85084005 1 NPSi2O7C34H46 ABC2D7E34F46 -360.55 6.32 -8.83 -0.54 0
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215020 85084006 1 O2N5C42H61 A2B5C42D61 -49.4 9.77 -8.31 -0.1 0
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215021 85084007 1 N8O9C30H52 A8B9C30D52 -450.77 7.25 -9.6 0.04 0
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215022 85084009 1 SO5C41H64 AB5C41D64 -257.99 5.15 -8.8 -0.33 0
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215023 85084013 1 O3N5C41H59 A3B5C41D59 -82.98 9.32 -8.48 -0.11 0
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215024 85084015 1 F2N3O5H33C35 A2B3C5D33E35 -204.77 7.76 -9.03 -1.08 0
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215025 85084016 1 SiO11C35H45 AB11C35D45 -395.66 5.37 0.0 0.0 0
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215026 85084017 1 O12C35H58 A12B35C58 -605.82 5.54 -9.31 1.0 0