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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145163 53473176 1 SN3O7C15H15 AB3C7D15E15 -243.49 5.55 -9.13 -1.08 0
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145164 53473364 4 SF3O4C13H15 AB3C4D13E15 -1222.47 1.54 -8.71 -1.63 0
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145165 53473408 1 N2H18C25 A2B18C25 135.23 3.26 -8.13 -0.65 0
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145166 53473513 1 INO6C30H40 ABC6D30E40 -213.96 3.95 -8.49 -0.75 0
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145167 53473640 1 B2O5C24H38 A2B5C24D38 -393.01 1.93 -8.4 0.29 0
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145168 53473641 2 BO3C12H18 AB3C12D18 -432.82 2.27 -8.95 0.02 0
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145169 53473642 1 B3O6C28H45 A3B6C28D45 -520.58 1.89 -8.36 0.49 0
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145170 53473643 1 BO3C29H33 AB3C29D33 -166.07 2.74 -8.65 0.3 0
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145171 53473644 1 BSO4C22H27 ABC4D22E27 -225.91 4.28 -9.04 -0.24 0
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145172 53473645 2 OF3H10C13 AB3C10D13 -357.7 2.86 -9.9 -0.83 0
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145173 53473646 5 OC5H8 AB5C8 -249.06 3.49 -9.18 0.52 0
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145174 53473773 1 O9H26C28 A9B26C28 -301.86 3.64 -9.99 -0.69 0
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145175 53473976 10 H2C3 A2B3 132.12 0.51 -8.56 -0.69 0
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145176 53474316 1 Cl2O2N3C16H19 A2B2C3D16E19 -37.31 5.5 -8.97 -1.25 0
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145177 53474317 1 N2O3C22H24 A2B3C22D24 -64.39 7.29 -8.44 -0.49 0
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145178 53474336 1 NSi3O4C29H57 AB3C4D29E57 -358.81 3.52 -8.67 -0.28 0
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145179 53474364 1 N3H23C24 A3B23C24 101.82 0.43 -8.07 -0.53 0
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145180 53474756 1 BrN2H7C11 AB2C7D11 89.93 2.07 -8.56 -1.05 0
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145181 53475037 1 N12O17C86H134 A12B17C86D134 -652.22 7.16 -8.2 -0.41 0
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145182 53475080 1 ClFIN2H11C16 ABCD2E11F16 47.76 2.74 -9.21 -0.96 0
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145183 53475120 1 NSO2C14H19 ABC2D14E19 -76.86 1.29 -8.13 -0.02 0
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145184 53475121 1 NSO2C14H17 ABC2D14E17 -34.54 3.64 -8.25 -0.12 0
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145185 53475122 1 ClNSO4H22C24 ABCD4E22F24 -116.81 2.46 -8.62 -0.71 0
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145186 53475123 1 N12O15C88H138 A12B15C88D138 -615.78 8.26 -8.49 -0.14 0
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145187 53475245 1 O2C11H18 A2B11C18 -93.37 5.4 -9.49 0.1 0
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145188 53475542 1 O3C20H20 A3B20C20 -65.71 3.26 -8.02 -0.48 0
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145189 53475874 1 SO2N8C22H24 AB2C8D22E24 61.82 7.41 -8.89 -0.88 0
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145190 53476073 1 NO4C20H25 AB4C20D25 -115.27 4.4 -8.36 0.06 0
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145191 53476074 1 NO4C13H19 AB4C13D19 -146.39 2.89 -8.33 -0.03 0
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145192 53476715 1 NSiC14H21 ABC14D21 -17.62 2.66 -8.29 0.24 0
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145193 53476716 1 NSiC17H17 ABC17D17 39.79 2.35 -8.7 -0.14 0
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145194 53476793 1 SO3N4F6C40H44 AB3C4D6E40F44 -364.44 9.39 -8.43 -1.6 0
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145195 53476794 1 SF3O3N4C37H41 AB3C3D4E37F41 -211.24 11.89 -8.43 -1.45 0
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145196 53476896 1 NO10C40H61 AB10C40D61 -403.52 7.44 -8.82 -0.13 0
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145197 53476897 1 NO9C38H57 AB9C38D57 -365.1 5.4 -8.69 -0.23 0
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145198 53476898 1 OCl2N5H11C18 AB2C5D11E18 74.98 10.62 -8.94 -1.37 0
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145199 53477076 3 N2H6C7 A2B6C7 173.51 8.27 -7.78 -1.06 0
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145200 53477305 1 FO3N8C24H27 AB3C8D24E27 -65.37 6.32 -8.28 -0.84 0
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145201 53477478 1 O5C20H34 A5B20C34 -257.18 5.33 -9.66 0.4 0
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145202 53477479 1 O5C20H34 A5B20C34 -258.91 7.22 -10.02 0.66 0
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145203 53477480 1 O5C20H34 A5B20C34 -256.82 6.36 -9.68 0.29 0
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145204 53477481 1 O5C20H34 A5B20C34 -254.39 5.48 -9.94 0.45 0
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145205 53477488 1 O5C20H34 A5B20C34 -257.77 3.2 -10.01 0.45 0
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145206 53477489 1 O5C20H34 A5B20C34 -255.41 2.46 -9.66 0.36 0
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145207 53477665 1 N2P2O11C12H20 A2B2C11D12E20 -612.95 4.58 -9.41 -0.26 0
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145208 53478336 1 O5C47H82 A5B47C82 -307.96 6.09 -9.44 0.3 1
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145209 53479028 1 NPO7C46H87 ABC7D46E87 -296.35 4.84 0.0 0.0 0
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145210 53479029 1 NPO7C46H84 ABC7D46E84 -416.35 13.99 -9.06 -0.15 0
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145211 53479145 1 NPO7C46H80 ABC7D46E80 -373.41 13.4 -8.5 -0.38 1
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145212 53479146 1 NPO7C46H81 ABC7D46E81 -316.38 4.3 0.0 0.0 0
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145213 53479147 1 NPO8C50H94 ABC8D50E94 -526.49 14.73 -9.68 -0.24 1
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145214 53479168 1 NPO8C44H85 ABC8D44E85 -464.91 13.78 0.0 0.0 1
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145215 53479444 1 NPO8C50H95 ABC8D50E95 -517.06 4.8 0.0 0.0 0
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145216 53479599 1 NPO8C41H72 ABC8D41E72 -448.21 4.08 -9.47 -0.3 0
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145217 53480375 1 P2O17C79H142 A2B17C79D142 -1069.16 5.33 -9.08 0.21 0
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145218 53480376 1 P2O17C81H146 A2B17C81D146 -1072.39 5.48 -9.04 -0.15 0
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145219 53480412 1 P2O17C83H142 A2B17C83D142 -990.2 6.79 -9.26 0.11 0
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145220 53481074 3 NO13C29H51 AB13C29D51 -1806.21 8.79 -9.11 -2.42 0
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145221 53481184 2 NO13C38H69 AB13C38D69 -1364.66 7.06 -9.47 -0.61 0
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145222 53481185 2 NO13C32H57 AB13C32D57 -1292.71 6.71 -9.86 -0.36 0
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145223 53481186 2 NO13C34H60 AB13C34D60 -1285.97 11.11 -9.4 -0.57 0
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145224 53481931 1 N2O3H34C35 A2B3C34D35 -49.46 8.78 -8.37 -0.85 0
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145225 53482192 1 FN3O3H22C25 AB3C3D22E25 -37.93 3.06 -8.51 -1.2 0
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145226 53482558 1 SN4O6C28H36 AB4C6D28E36 -162.41 9.9 -8.32 -1.03 0
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145227 53482559 1 SN3O6C41H45 AB3C6D41E45 -138.27 11.54 -8.67 -1.06 0
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145228 53482769 1 N5O6F7C28H30 A5B6C7D28E30 -522.97 4.07 -8.98 -1.2 0
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145229 53482770 1 FO2N5C24H28 AB2C5D24E28 -46.26 5.12 -9.03 -0.59 0
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145230 53482771 1 N5F6O6C28H31 A5B6C6D28E31 -497.09 14.69 -8.21 -1.56 0
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145231 53483025 1 N2O3C11H16 A2B3C11D16 -87.48 3.07 -8.85 -0.62 0
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145232 53483233 1 O3C11H20 A3B11C20 -156.29 3.47 -10.08 0.09 0
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145233 53483318 1 ClN2H17C18 AB2C17D18 47.92 3.54 -8.4 -0.98 0
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145234 53483319 1 ClN2H17C18 AB2C17D18 50.92 3.32 -8.32 -0.97 0
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145235 53483320 1 Cl2N2H14C17 A2B2C14D17 49.56 3.5 -8.59 -1.04 0
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145236 53483321 1 ClN2C16H19 AB2C16D19 19.47 3.38 -8.89 -0.71 0
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145237 53483322 1 ClON2C15H17 ABC2D15E17 -9.01 3.89 -8.9 -0.88 0
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145239 53484193 1 N4O6C29H40 A4B6C29D40 -244.9 6.88 -8.77 0.02 0
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145240 53484343 1 ClOSN3C12H20 ABCD3E12F20 -71.35 5.98 -9.24 -0.68 0
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145241 53484344 1 Cl2O2N3C19H31 A2B2C3D19E31 -159.35 6.62 -8.94 -0.49 0
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145242 53486396 1 O4N5H49C53 A4B5C49D53 72.15 4.96 -8.43 -0.07 0
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145243 53486406 1 NO14C53H83 AB14C53D83 -630.85 7.16 -8.96 -0.78 0
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145244 53486496 1 O4C17H26 A4B17C26 -208.67 4.22 -9.38 0.06 0
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145245 53486497 1 O4C17H26 A4B17C26 -209.2 4.09 -9.4 0.04 0
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145246 53487210 1 NSO3C13H27 ABC3D13E27 -168.97 5.88 -8.85 0.18 0
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145247 53487611 1 ClOSH9C12 ABCD9E12 20.01 3.92 -8.64 -0.51 0
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145248 53487612 1 NCl2O3C14H19 AB2C3D14E19 -158.47 7.69 -9.73 -0.8 0
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145249 53487613 1 ClNO3C14H18 ABC3D14E18 -121.17 4.91 -9.06 -0.58 0
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145250 53487614 1 NCl2O3C14H19 AB2C3D14E19 -157.49 7.04 -9.75 -0.68 0
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145251 53487911 1 BrClC10H12 ABC10D12 -4.76 3.46 -9.42 -0.3 0
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145252 53488540 1 FSN2H13C14 ABC2D13E14 7.03 4.16 -8.61 -0.57 0
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145253 53488541 1 FSN2C17H19 ABC2D17E19 -11.42 6.79 -8.43 -0.67 0
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145254 53488542 1 FSN2C17H19 ABC2D17E19 -12.28 5.09 -8.51 -0.44 0
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145255 53488543 1 FSN2C17H17 ABC2D17E17 -5.39 4.99 -8.49 -0.42 0
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145256 53488544 1 FSN2C16H17 ABC2D16E17 -12.4 4.89 -8.45 -0.33 0
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145257 53488545 1 FOSN2C15H15 ABCD2E15F15 -34.91 5.35 -8.6 -0.58 0
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145258 53488546 1 FOSN2C15H15 ABCD2E15F15 -33.26 5.95 -8.49 -0.4 0
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145259 53488547 1 FN2S2C15H15 AB2C2D15E15 10.86 4.37 -8.29 -0.34 0
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145260 53488573 1 ClFSN2H14C15 ABCD2E14F15 -9.94 5.44 -8.56 -0.74 0
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145261 53489673 1 O2N3C22H33 A2B3C22D33 -94.89 3.97 -8.89 0.04 0
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145262 53489674 1 ClO2N3C18H24 AB2C3D18E24 -84.79 5.4 -9.12 -0.46 0
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145263 53489748 1 ClO2N7H22C23 AB2C7D22E23 75.32 8.21 -8.24 -1.75 0