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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85079 49871633 1 NO7C24H25 AB7C24D25 -193.73 4.06 -9.45 -1.64 0
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85080 49871634 1 NO4H13C16 AB4C13D16 -41.55 5.45 -8.92 -2.07 0
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85081 49871635 1 NO6C19H19 AB6C19D19 -123.75 3.7 -8.55 -1.9 0
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85082 49871637 4 OC4H4 AB4C4 -109.63 2.88 -9.54 -0.24 0
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85083 49871654 2 O3C14H23 A3B14C23 -309.06 4.96 -8.98 0.06 0
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85084 49871661 1 FO2C11H11 AB2C11D11 -99.61 2.93 -9.77 -0.3 0
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85085 49871683 1 NO4H11C16 AB4C11D16 -39.91 2.59 -8.95 -2.25 0
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85086 49871684 1 NO2H17C18 AB2C17D18 17.8 3.39 -8.56 -1.87 0
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85087 49871685 1 NO4H11C16 AB4C11D16 -42.25 6.85 -9.1 -2.08 0
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85088 49871688 1 NO5C16H19 AB5C16D19 -36.99 4.85 -9.75 -1.3 0
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85089 49871690 1 Br3O4H21C28 A3B4C21D28 -59.02 1.88 -9.42 -0.69 0
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85090 49871692 4 OC4H4 AB4C4 -91.58 1.51 -9.23 -0.73 0
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85091 49871695 1 BrNOF2H4C6 ABCD2E4F6 -99.74 2.42 -10.0 -2.1 0
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85092 49871700 2 O5N6C18H24 A5B6C18D24 94.1 9.05 -8.45 -0.47 0
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85093 49871701 1 N2P2Na3C15O18H19 A2B2C3D15E18F19 -1109.6 23.07 -8.86 -0.96 0
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85094 49871706 1 N7H19C24 A7B19C24 195.52 7.53 -8.41 -2.11 0
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85095 49871709 1 NC9H11 AB9C11 20.71 1.39 -8.27 1.33 0
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85096 49871716 1 OC19H36 AB19C36 -75.86 1.76 -9.86 1.94 0
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85097 49871718 1 OC19H38 AB19C38 -116.4 2.17 -9.62 1.23 0
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85098 49871719 1 OC20H40 AB20C40 -112.44 2.16 -10.3 2.61 0
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85099 49871721 1 SiO3C15H32 AB3C15D32 -209.66 2.08 -8.75 0.84 0
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85100 49871722 1 SiO4C16H32 AB4C16D32 -237.97 2.5 -8.86 -0.6 0
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85101 49871739 1 ClN5H18C21 AB5C18D21 106.2 4.49 -9.02 -0.67 0
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85102 49871766 1 ON4F6H18C20 AB4C6D18E20 -261.68 2.27 -9.48 -1.13 0
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85103 49871784 1 NSiO3C29H49 ABC3D29E49 -211.03 4.64 -8.67 0.24 0
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85104 49871793 1 OSCl2N5H23C30 ABC2D5E23F30 92.35 2.73 -9.21 -0.87 0
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85105 49871796 1 ClSO2N5H24C30 ABC2D5E24F30 59.21 3.09 -9.02 -0.9 0
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85106 49871797 1 ClSO2N5H24C30 ABC2D5E24F30 58.79 7.12 -9.12 -0.81 0
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85107 49871812 1 NOF2H2Cl3C6 ABC2D2E3F6 -129.17 2.74 -9.9 -1.52 0
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85108 49871824 1 I2N2O11H30C31 A2B2C11D30E31 -337.54 4.46 -9.23 -1.3 0
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85109 49871831 1 SN3O3C14H15 AB3C3D14E15 -39.25 3.98 -9.22 -1.12 0
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85110 49871837 1 O4N11C37H37 A4B11C37D37 4.94 6.65 -8.68 -0.84 0
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85111 49871838 1 FO4N7H38C41 AB4C7D38E41 -89.9 5.9 -8.56 -0.58 0
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85112 49871849 1 PN8O10C40H63 AB8C10D40E63 -517.31 7.54 -8.8 -0.04 0
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85113 49871851 1 N8O11C29H48 A8B11C29D48 -453.68 4.69 -9.38 -0.08 0
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85114 49871853 1 O2N4C21H26 A2B4C21D26 -40.17 5.69 -8.65 -0.94 0
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85115 49871864 1 FN7H16C21 AB7C16D21 95.82 4.9 -9.33 -1.22 0
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85116 49871884 1 N5C17H17 A5B17C17 103.52 3.59 -8.98 -0.22 0
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85117 49871886 1 ClFN3O4C31H35 ABC3D4E31F35 -177.34 9.06 -9.12 -1.34 0
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85118 49871893 2 ON3C15H15 AB3C15D15 21.42 5.29 -8.47 -1.06 0
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85119 49871894 1 O2N6C31H32 A2B6C31D32 15.41 2.51 -8.7 -1.03 0
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85120 49871896 1 F3N3O3H22C36 A3B3C3D22E36 -118.85 6.66 -9.26 -1.52 0
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85121 49871940 1 ON5H13C16 AB5C13D16 126.66 6.96 -8.68 -1.18 0
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85122 49871964 1 OSN3H15C17 ABC3D15E17 32.29 3.79 -8.51 -0.56 0
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85123 49871967 1 O2N3H17C18 A2B3C17D18 -4.48 5.66 -8.59 -0.37 0
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85124 49871970 1 NO2F4C32H35 AB2C4D32E35 -265.45 2.6 -9.22 -0.9 0
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85125 49871975 1 N3O5C26H33 A3B5C26D33 -129.38 3.27 -9.4 -1.18 0
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85126 49871976 1 ClSN4O4C22H25 ABC4D4E22F25 -74.77 3.7 -9.58 -1.36 0
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85127 49871988 1 O2N7C30H33 A2B7C30D33 15.18 8.16 -8.38 -0.86 0
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85128 49872007 1 ClSN2O3H19C27 ABC2D3E19F27 18.45 4.36 -8.82 -0.75 0
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85129 49872009 1 ClSN2O3H23C29 ABC2D3E23F29 5.2 6.34 -9.06 -0.99 0
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85130 49872021 1 O6N8C39H42 A6B8C39D42 -165.71 1.9 -8.75 -0.41 0
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85131 49872022 1 O6N8C39H42 A6B8C39D42 -160.79 9.33 -8.88 -0.68 0
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85132 49872023 1 O4N7H43C44 A4B7C43D44 -31.62 5.01 -8.66 -0.53 0
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85133 49872028 1 OF3N5H12C17 AB3C5D12E17 -24.59 8.11 -9.01 -1.4 0
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85134 49872029 1 FON5H16C18 ABC5D16E18 62.87 7.72 -8.95 -1.07 0
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85135 49872030 1 FON5H12C16 ABC5D12E16 74.12 6.36 -9.15 -1.15 0
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85136 49872031 1 OF2N5H13C17 AB2C5D13E17 22.54 10.23 -8.83 -1.33 0
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85137 49872032 1 SN2O5H14C20 AB2C5D14E20 -100.94 5.9 -8.97 -1.26 0
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85138 49872034 1 PSN10O11C47H77 ABC10D11E47F77 -593.58 9.21 -9.37 -0.11 0
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85139 49872040 1 FO2N4C24H25 AB2C4D24E25 -71.51 6.74 -8.5 -1.08 0
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85140 49872052 1 ClOSN3H12C13 ABCD3E12F13 20.7 3.38 -8.83 -0.62 0
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85141 49872053 1 OF2N3H13C15 AB2C3D13E15 -73.67 5.3 -9.12 -0.57 0
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85142 49872067 2 N2O3C14H18 A2B3C14D18 -168.42 2.71 -9.27 -1.14 0
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85143 49872069 1 ClSN4O4C21H23 ABC4D4E21F23 -71.33 5.61 -9.57 -1.38 0
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85144 49872070 1 O2N3H19C22 A2B3C19D22 -2.27 3.76 -8.95 -0.79 0
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85145 49872074 1 ON3H17C19 AB3C17D19 43.69 3.17 -8.51 -0.73 0
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85146 49872080 1 ON7H29C32 AB7C29D32 112.21 4.4 -8.36 -1.01 0
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85147 49872081 1 O2N7C31H33 A2B7C31D33 42.83 4.92 -8.45 -1.09 0
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85148 49872083 1 ON9C26H29 AB9C26D29 106.14 3.4 -8.46 -1.08 0
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85149 49872084 1 S2N11O13C41H59 A2B11C13D41E59 -539.06 11.56 -9.16 -0.54 0
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85150 49872086 4 NO2C5H7 AB2C5D7 -329.91 11.26 -10.54 -1.15 0
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85151 49872093 1 ON4C20H26 AB4C20D26 -8.17 4.45 -9.08 -0.58 0
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85152 49872095 1 FON4C23H23 ABC4D23E23 -11.49 3.34 -9.14 -0.86 0
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85153 49872098 1 SO3N4C16H20 AB3C4D16E20 -78.18 5.39 -8.78 -0.96 0
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85154 49872101 1 ClFN2O3H26C32 ABC2D3E26F32 -55.2 4.38 -9.23 -0.86 0
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85155 49872107 1 N4O9C30H44 A4B9C30D44 -413.9 7.49 -8.94 -0.61 0
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85156 49872113 1 N4O9C33H50 A4B9C33D50 -433.54 4.88 -9.0 -0.66 0
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85157 49872115 2 O3N4C20H22 A3B4C20D22 -166.82 7.2 -8.77 -0.48 0
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85158 49872116 1 O6N8C41H46 A6B8C41D46 -176.47 2.41 -8.62 -0.4 0
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85159 49872117 1 O7N8C45H52 A7B8C45D52 -230.25 2.79 -8.7 -0.59 0
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85160 49872121 1 FO6N7C24H24 AB6C7D24E24 -130.96 4.02 -9.29 -1.1 0
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85161 49872162 1 N3O5C25H33 A3B5C25D33 -137.82 3.58 -9.41 -1.23 0
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85162 49872166 1 N3O3C29H29 A3B3C29D29 -39.06 3.35 -7.92 -0.07 -2
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85163 49872173 1 OCl2N3C21H23 AB2C3D21E23 42.01 33.81 -6.53 -2.09 0
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85164 49872183 1 N2O2C19H20 A2B2C19D20 43.83 7.08 -8.52 -1.41 1
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85165 49872185 1 OSN3C18H18 ABC3D18E18 31.44 4.83 0.0 0.0 0
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85166 49872186 1 FSO3N6C25H25 ABC3D6E25F25 -25.12 6.03 -9.39 -1.36 0
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85167 49872188 1 SO3F4N5H15C18 AB3C4D5E15F18 -200.26 8.6 -10.04 -1.56 0
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85168 49872189 1 FON5H20C23 ABC5D20E23 51.99 2.11 -9.16 -1.29 0
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85169 49872195 1 ON4C18H22 AB4C18D22 15.42 2.66 -8.9 -0.8 0
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85170 49872197 1 Si2O4C37H62 A2B4C37D62 -292.32 2.23 -8.75 0.38 0
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85171 49872199 1 ClN2O3H25C31 AB2C3D25E31 -7.41 1.1 -8.79 -0.73 0
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85172 49872200 1 ClSN2O3H19C27 ABC2D3E19F27 18.61 4.87 -9.05 -0.89 0
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85173 49872201 1 ClSN2O3H21C28 ABC2D3E21F28 7.23 7.09 -9.06 -0.8 0
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85174 49872202 1 ClN2O3H29C33 AB2C3D29E33 -16.46 7.61 -8.9 -0.76 0
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85175 49872208 1 N4O8C31H46 A4B8C31D46 -382.28 11.6 -8.82 -0.46 0
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85176 49872209 1 N4O9C36H52 A4B9C36D52 -422.87 8.12 -8.9 -0.61 0
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85177 49872211 1 N4O8C33H48 A4B8C33D48 -364.34 6.97 -8.8 -0.46 0
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85178 49872213 2 O3N4C20H22 A3B4C20D22 -168.25 3.22 -8.69 -0.55 0