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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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90161 49967063 1 N5O5C33H45 A5B5C33D45 -202.98 10.46 -8.74 -0.3 0
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90162 49967187 1 FO4N5C37H44 AB4C5D37E44 -189.53 10.27 -8.65 -0.57 0
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90163 49967199 1 ClO4N5C30H38 AB4C5D30E38 -161.24 4.56 -8.99 -0.73 0
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90164 49967202 1 F2O4N5C36H41 A2B4C5D36E41 -220.2 9.92 -8.8 -1.0 0
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90165 49967207 1 FO4N5C36H42 AB4C5D36E42 -179.49 8.89 -8.82 -1.02 0
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90166 49967297 1 ClO4N5C31H40 AB4C5D31E40 -165.07 3.35 -8.8 -0.76 0
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90168 49967383 1 F2O5N6C39H46 A2B5C6D39E46 -275.3 6.38 -8.96 -0.44 0
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90169 49967384 1 FO5N6C38H51 AB5C6D38E51 -269.81 7.49 -8.8 -0.4 0
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90170 49967385 1 FN6O6C39H47 AB6C6D39E47 -262.45 8.49 -8.57 -0.44 0
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90171 49967386 1 F2O5N6C38H44 A2B5C6D38E44 -266.35 10.32 -8.7 -0.75 0
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90172 49967387 1 FO5N6C39H47 AB5C6D39E47 -233.45 9.59 -8.72 -0.54 0
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90174 49967389 1 FO5N6C39H47 AB5C6D39E47 -233.68 6.69 -8.77 -0.44 0
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90175 49967399 1 F2O5N6C39H46 A2B5C6D39E46 -270.95 2.24 -9.0 -0.59 0
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90176 49967400 1 FO5N6C40H49 AB5C6D40E49 -241.28 4.23 -9.08 -0.41 0
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90178 49967410 1 O5N6C37H52 A5B6C37D52 -231.25 5.42 -8.93 -0.52 0
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90179 49967450 1 O5N6C37H52 A5B6C37D52 -225.1 8.12 -8.97 -0.52 0
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90180 49967451 1 FO5N6C40H49 AB5C6D40E49 -229.62 10.12 -8.96 -0.92 0
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90181 49967459 1 FO5N6C40H49 AB5C6D40E49 -239.96 7.56 -8.83 -0.86 0
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90182 49967460 1 O5N6C40H50 A5B6C40D50 -194.71 6.01 -8.52 -0.41 0
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90183 49967470 1 ClO5N6C34H45 AB5C6D34E45 -221.59 12.01 -8.74 -0.61 0
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90184 49967476 1 O5N6C34H46 A5B6C34D46 -208.71 6.14 -8.67 -0.24 0
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90185 49967482 1 O5N6C40H56 A5B6C40D56 -241.38 5.01 -8.88 -0.35 0
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90186 49967498 1 BrO5N6C33H43 AB5C6D33E43 -205.58 7.62 -8.95 -0.7 0
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90187 49967539 1 ClO5N6C35H47 AB5C6D35E47 -228.38 14.48 -8.77 -0.89 0
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90188 49967540 1 ClO5N6C36H49 AB5C6D36E49 -236.67 11.04 -8.65 -0.75 0
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90189 49967541 1 ClO5N6C36H47 AB5C6D36E47 -218.2 13.83 -8.76 -1.03 0
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90190 49967560 1 FO5N6C39H47 AB5C6D39E47 -228.24 5.95 -9.1 -0.73 0
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90191 49967572 1 O5N6C37H50 A5B6C37D50 -205.03 12.0 -8.84 -0.14 0
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90192 49967581 1 ClO5N6C39H47 AB5C6D39E47 -191.82 10.91 -8.61 -0.72 0
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90193 49967588 1 ClO5N6C36H47 AB5C6D36E47 -221.84 7.56 -9.05 -0.88 0
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90194 49967589 1 ClO5N6C37H49 AB5C6D37E49 -225.06 12.67 -8.76 -0.91 0
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90195 49967598 1 O5N6C35H48 A5B6C35D48 -221.86 8.58 -8.85 -0.93 0
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90196 49967618 1 ClO5N6C38H51 AB5C6D38E51 -233.96 7.93 -9.06 -0.61 0
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90197 49967626 1 O5N6C39H48 A5B6C39D48 -184.15 10.01 -8.46 -0.42 0
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90198 49967627 1 O5N6C39H48 A5B6C39D48 -188.76 5.38 -8.36 -0.44 0
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90199 49967632 1 O4N5C34H47 A4B5C34D47 -177.83 11.42 -8.75 -0.08 0
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90200 49967635 1 SO4N7C28H39 AB4C7D28E39 -144.52 10.13 -8.8 -0.87 0
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90201 49967636 1 N5O5C33H45 A5B5C33D45 -204.36 8.39 -8.76 -0.04 0
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90202 49967637 1 F2O4N5C31H39 A2B4C5D31E39 -254.65 4.16 -8.98 -0.58 0
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90203 49967644 1 FO5N6C40H49 AB5C6D40E49 -244.63 10.8 -8.68 -0.35 0
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90204 49967649 1 ClO5N6C35H47 AB5C6D35E47 -220.8 11.56 -8.97 -0.47 0
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90205 49967650 1 ClO5N6C36H49 AB5C6D36E49 -226.59 7.23 -9.06 -0.64 0
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90206 49967651 1 ClO5N6C36H47 AB5C6D36E47 -212.8 5.51 -8.99 -0.51 0
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90207 49967653 1 O5N6C39H48 A5B6C39D48 -186.37 3.02 -8.36 -0.36 0
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90208 49967656 1 FO5N6C38H45 AB5C6D38E45 -228.78 7.8 -8.62 -0.89 0
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90209 49967663 1 O5N6C36H50 A5B6C36D50 -229.23 7.54 -8.46 -0.18 0
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90210 49967664 1 FO5N6C39H47 AB5C6D39E47 -232.64 11.49 -8.12 -0.51 0
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90212 49967684 1 ClO5N6C39H47 AB5C6D39E47 -194.11 6.71 -8.72 -0.76 0
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90213 49967703 1 ClO5N6C38H51 AB5C6D38E51 -230.3 5.18 -9.0 -0.56 0
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90214 49967707 1 ClO5N6C37H49 AB5C6D37E49 -217.93 7.41 -9.04 -0.6 0
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90215 49967730 1 O4N5C33H45 A4B5C33D45 -171.45 6.06 -8.74 -0.07 0
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90216 49967738 1 O5N6C34H46 A5B6C34D46 -196.0 9.35 -8.82 -0.4 0
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90217 49967748 1 O5N6C37H50 A5B6C37D50 -209.53 6.06 -9.01 -0.45 0
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90218 49967749 1 O5N6C38H52 A5B6C38D52 -215.29 3.21 -8.76 -0.54 0
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90219 49967755 1 FO5N6C38H45 AB5C6D38E45 -225.45 6.28 -8.8 -0.71 0
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90220 49967756 3 N2O2C13H16 A2B2C13D16 -218.15 7.21 -8.78 -0.57 0
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90221 49967767 1 N5O5C33H45 A5B5C33D45 -210.26 10.43 -8.62 -0.08 0
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90222 49967769 1 O5N6C35H48 A5B6C35D48 -220.96 8.21 -9.09 -0.34 0
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90223 49967773 1 O5N6C36H48 A5B6C36D48 -208.74 10.13 -8.91 -0.25 0
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90224 49967775 1 O5N6C38H52 A5B6C38D52 -217.15 2.35 -9.26 -0.44 0
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90225 49967780 1 O5N6C36H50 A5B6C36D50 -226.68 7.51 -9.02 -0.21 0
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90226 49967783 1 O5N6C39H54 A5B6C39D54 -229.77 9.12 -8.94 -0.58 0
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90227 49967787 1 FO5N6C39H47 AB5C6D39E47 -226.52 6.32 -9.03 -0.84 0
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90228 49967788 1 F2O5N6C38H44 A2B5C6D38E44 -264.85 12.4 -8.91 -0.51 0
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90229 49967789 1 F2O5N6C38H44 A2B5C6D38E44 -266.44 5.12 -8.9 -1.09 0
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90230 49967799 2 N3O3C20H25 A3B3C20D25 -226.1 5.91 -8.19 -0.3 0
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90232 49967825 1 FO5N6C39H47 AB5C6D39E47 -231.71 5.42 -8.78 -0.94 0
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90233 49967826 1 O5N6C39H48 A5B6C39D48 -185.21 4.46 -8.86 -0.88 0
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90234 49967838 1 FN6O6C39H47 AB6C6D39E47 -258.54 9.61 -8.36 -0.71 0
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90235 49967839 2 N3O3C20H25 A3B3C20D25 -222.61 8.06 -8.38 -0.27 0
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90236 49967850 1 O4N5C33H45 A4B5C33D45 -181.16 11.14 -8.78 -0.04 0
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90237 49967851 1 N5O6C33H43 A5B6C33D43 -236.54 9.87 -8.64 -0.27 0
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90238 49967856 1 FO5N6C39H47 AB5C6D39E47 -233.7 9.98 -8.83 -0.48 0
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90239 49967857 1 O5N6C32H42 A5B6C32D42 -203.79 6.54 -9.0 -0.59 0
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90240 49967870 1 ClN6O6C36H47 AB6C6D36E47 -250.06 7.44 -9.11 -0.62 0
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90241 49967872 1 ClO5N6C38H51 AB5C6D38E51 -237.41 6.99 -9.26 -0.62 0
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90242 49967877 2 N3O3C17H23 A3B3C17D23 -254.27 9.43 -8.36 -0.14 0
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90243 49967886 1 O5N6C39H48 A5B6C39D48 -185.09 12.15 -8.7 -0.55 0
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90244 49967887 1 FO5N6C39H47 AB5C6D39E47 -232.37 9.32 -8.77 -0.78 0
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90245 49967888 1 FO5N6C39H47 AB5C6D39E47 -230.18 3.97 -8.43 -0.51 0
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90246 49967894 1 F3O4N5C32H40 A3B4C5D32E40 -324.21 8.3 -8.88 -0.63 0
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90247 49967919 2 N3O3C20H25 A3B3C20D25 -225.98 11.61 -8.68 -0.49 0
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90248 49967934 1 O4N5C33H45 A4B5C33D45 -173.38 13.3 -8.72 -0.27 0
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90249 49967949 1 O5N6C39H48 A5B6C39D48 -187.44 4.04 -8.26 -0.2 0
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90250 49967959 1 O5N6C34H46 A5B6C34D46 -213.34 10.22 -8.83 -0.61 0
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90251 49967974 1 ClO5N6C35H45 AB5C6D35E45 -207.71 8.16 -8.99 -0.53 0
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90252 49967978 1 ClO5N6C36H47 AB5C6D36E47 -220.71 10.17 -8.85 -0.43 0
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90253 49967985 1 FO5N6C37H43 AB5C6D37E43 -217.19 4.02 -8.8 -0.67 0
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90254 49968005 1 ClO5N6C33H43 AB5C6D33E43 -206.52 13.56 -8.83 -0.61 0
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90255 49968009 1 ClO5N6C35H47 AB5C6D35E47 -218.15 9.71 -8.85 -0.79 0
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90256 49968020 1 FO5N6C38H45 AB5C6D38E45 -228.98 1.97 -8.87 -0.36 0
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90257 49968022 1 FN6O6C38H45 AB6C6D38E45 -256.82 9.31 -8.26 -0.56 0
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90258 49968023 1 Cl2O4N5C31H39 A2B4C5D31E39 -179.83 8.89 -8.88 -0.73 0
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90260 49968035 1 ClO5N6C35H47 AB5C6D35E47 -227.92 5.83 -8.95 -0.54 0
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90261 49968037 1 ClO5N6C35H47 AB5C6D35E47 -211.62 5.68 -8.94 -0.63 0
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90262 49968061 1 O5N6C34H46 A5B6C34D46 -216.57 6.6 -8.72 -0.7 0
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90263 49968089 1 BrO4N5C32H42 AB4C5D32E42 -175.61 3.66 -8.89 -0.3 0
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90264 49968091 1 FO4N5C31H40 AB4C5D31E40 -209.16 5.13 -8.89 -0.24 0
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90265 49968106 1 FO5N6C38H45 AB5C6D38E45 -220.69 3.34 -8.97 -0.36 0
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90266 49968110 1 O5N6C39H48 A5B6C39D48 -188.55 6.15 -8.65 -0.32 0