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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