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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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