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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219943 85165071 2 O7C15H18 A7B15C18 -529.36 8.73 -8.75 -0.77 1
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219944 85165072 1 O5N6C35H35 A5B6C35D35 -82.19 2.32 0.0 0.0 0
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219945 85165073 4 O2C9H15 A2B9C15 -343.75 6.2 -10.0 0.09 0
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219946 85165074 1 ClN2S2O6H27C31 AB2C2D6E27F31 -138.19 3.11 -8.94 -1.24 0
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219947 85165075 1 BrFO5N8C25H30 ABC5D8E25F30 -195.67 5.92 -8.89 -1.23 0
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219948 85165076 1 SSeSiN2O3C31H36 ABCD2E3F31G36 -116.67 4.97 -8.99 -0.89 0
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219949 85165077 1 N3S3O7C28H35 A3B3C7D28E35 -263.48 6.53 -8.8 -1.1 0
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219950 85165078 1 S2N3O6C31H47 A2B3C6D31E47 -272.03 4.76 -8.31 0.22 0
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219951 85165079 1 SSi2N3O8C26H51 AB2C3D8E26F51 -488.84 6.66 -8.81 0.44 0
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219952 85165080 1 NO5C38H71 AB5C38D71 -370.29 4.82 -9.86 0.62 0
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219953 85165081 1 N2O15C26H42 A2B15C26D42 -687.68 6.58 -9.02 0.06 0
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219954 85165082 1 F3O9C32H37 A3B9C32D37 -473.21 6.61 -9.7 -0.34 0
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219955 85165083 1 SO5N8H30C31 AB5C8D30E31 55.4 14.28 -9.0 -2.04 1
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219956 85165084 1 SiF3N4O6C29H36 AB3C4D6E29F36 -393.51 2.4 0.0 0.0 0
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219957 85165085 2 O2N3C18H21 A2B3C18D21 -111.3 2.69 -8.97 -0.54 0
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219958 85165086 1 S3N4O7C27H34 A3B4C7D27E34 -251.19 8.53 -8.83 -1.44 0
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219959 85165087 1 O4H42C43 A4B42C43 -68.04 3.21 -9.06 -1.03 0
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219960 85165088 1 SiN2O6C35H50 AB2C6D35E50 -334.07 1.76 -9.08 0.05 0
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219961 85165089 1 O7C37H66 A7B37C66 -412.55 1.61 -9.84 -0.41 0
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219962 85165090 1 BrO4N6H27C31 AB4C6D27E31 180.52 6.46 -9.01 -1.74 0
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219963 85165091 1 SN5O6H29C33 AB5C6D29E33 -113.9 2.1 -8.82 -1.01 0
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219964 85165092 1 N5O5C36H41 A5B5C36D41 -61.39 2.05 -7.86 -1.78 0
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219965 85165093 1 NSO8C34H41 ABC8D34E41 -283.0 4.66 -8.67 -0.48 0
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219966 85165094 1 SiN3O3F4C32H45 AB3C3D4E32F45 -310.31 3.57 -8.15 -1.23 0
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219967 85165095 1 NSO3C40H49 ABC3D40E49 -69.72 2.73 -7.98 -1.18 0
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219968 85165096 1 NSSiO2C39H49 ABCD2E39F49 -55.5 5.16 -8.57 -0.36 0
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219969 85165097 1 FN2O8H31C35 AB2C8D31E35 -286.09 2.47 -8.93 -0.88 0
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219970 85165098 1 N4O9C32H40 A4B9C32D40 -360.53 7.21 -8.78 -0.4 0
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219971 85165099 2 NSO5C14H18 ABC5D14E18 -371.44 8.36 -8.45 -1.27 0
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219972 85165100 2 O3C20H24 A3B20C24 -196.08 3.01 -8.99 -0.03 0
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219973 85165101 1 SiO6C38H44 AB6C38D44 -194.76 2.73 -8.91 -0.51 0
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219974 85165103 1 SBr2N3O4C25H27 AB2C3D4E25F27 -64.35 5.82 -9.19 -1.39 0
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219975 85165104 1 PF3N3O9C26H39 AB3C3D9E26F39 -637.2 3.91 -9.41 -0.8 0
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219976 85165105 1 NO8C37H39 AB8C37D39 -216.14 6.87 -9.28 -0.14 0
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219977 85165106 1 N3O9C33H43 A3B9C33D43 -381.13 2.67 -8.58 -0.1 0
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219978 85165107 1 N3O5H35C39 A3B5C35D39 -22.9 6.12 -8.92 -0.84 0
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219979 85165108 1 S2N3O7C31H37 A2B3C7D31E37 -255.49 4.24 -8.94 -0.53 0
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219980 85165109 1 O4N7C35H43 A4B7C35D43 -93.48 5.89 -8.95 -0.54 0
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219981 85165110 1 NO5C38H75 AB5C38D75 -377.73 3.72 -9.69 0.59 0
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219982 85165111 1 BrNO14C23H32 ABC14D23E32 -647.91 1.84 -10.33 -1.02 0
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219983 85165112 1 O17C27H30 A17B27C30 -627.85 5.92 -8.92 -1.18 0
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219984 85165113 1 N2O9H34C35 A2B9C34D35 -297.96 5.18 -9.58 -0.82 0
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219985 85165114 1 PN4O9C29H47 AB4C9D29E47 -490.79 4.99 -9.71 -0.02 0
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219986 85165115 1 O11C33H54 A11B33C54 -495.11 2.71 -8.21 0.24 0
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219987 85165116 2 O2N3C18H23 A2B3C18D23 -133.73 7.07 -8.58 -0.29 0
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219988 85165117 2 SiO3C17H33 AB3C17D33 -472.18 2.33 -8.97 0.77 0
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219989 85165118 1 O7N9C29H41 A7B9C29D41 -261.76 6.79 -9.18 -0.21 0
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219990 85165119 1 N5O6C34H53 A5B6C34D53 -303.19 6.19 -9.32 0.14 0
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219991 85165120 2 BrN2O4H10C11 AB2C4D10E11 -65.83 3.98 -10.34 -1.56 0
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219992 85165121 1 N2F3O7C33H35 A2B3C7D33E35 -363.34 7.22 -8.81 -1.18 0
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219993 85165122 2 NO4C18H21 AB4C18D21 -286.22 9.54 -8.76 -0.21 0
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219994 85165123 1 N2O7C36H56 A2B7C36D56 -375.62 13.33 -9.76 0.35 0
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219995 85165124 1 SiN2O4C37H64 AB2C4D37E64 -270.3 2.46 -8.21 -0.85 1
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219996 85165125 1 SiN2O4C37H65 AB2C4D37E65 -259.57 5.11 0.0 0.0 0
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219997 85165126 1 O7N9C30H31 A7B9C30D31 -167.0 8.28 -9.02 -1.03 0
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219998 85165128 1 S2N5O11C23H43 A2B5C11D23E43 -527.04 7.8 -9.36 -0.15 0
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219999 85165129 1 NO5C39H67 AB5C39D67 -345.27 1.06 -9.33 0.24 0
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220000 85165130 1 O14C31H34 A14B31C34 -553.96 2.32 -9.96 -0.67 0
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220001 85165131 1 O9H30C38 A9B30C38 -250.72 6.93 -9.26 -2.11 0
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220002 85165132 3 O4C11H14 A4B11C14 -429.0 9.86 -9.23 -3.27 0
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220003 85165133 1 N4O6H34C37 A4B6C34D37 -150.59 5.45 -8.57 -0.47 0
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220004 85165134 1 FO4N8C33H39 AB4C8D33E39 -135.66 5.57 -8.66 -0.56 0
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220005 85165135 1 S2N6O7C28H34 A2B6C7D28E34 -256.58 8.22 -8.77 -1.68 0
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220006 85165136 1 FN2O6C37H43 AB2C6D37E43 -279.29 2.83 -8.43 -0.18 0
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220007 85165137 1 SN6O7C30H42 AB6C7D30E42 -277.09 6.72 -8.39 -0.26 0
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220008 85165138 1 SO4C40H54 AB4C40D54 -181.35 6.27 -9.75 -0.43 0
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220009 85165139 1 NPO8C35H38 ABC8D35E38 -264.88 5.18 -9.32 -0.09 0
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220010 85165140 1 SN3O8C33H33 AB3C8D33E33 -230.29 4.04 -8.37 -0.82 0
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220011 85165141 1 N3O7C36H45 A3B7C36D45 -276.13 6.42 -9.2 -0.41 0
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220012 85165142 1 ClSN3O7C31H38 ABC3D7E31F38 -184.1 7.91 -9.22 -0.51 0
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220013 85165143 1 FPN6O10C26H26 ABC6D10E26F26 -271.39 12.95 -10.37 -1.61 0
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220014 85165144 1 N2F3O7C33H39 A2B3C7D33E39 -395.86 4.91 -8.86 -1.14 0
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220015 85165145 2 O5C18H20 A5B18C20 -332.06 2.42 -9.43 -0.05 0
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220016 85165147 2 SN3O3H14C15 AB3C3D14E15 -16.09 3.5 -9.39 -1.08 0
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220017 85165148 1 O10C35H52 A10B35C52 -442.33 4.33 -9.17 1.09 0