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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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325150 126681533 1 N2O2H14C15 A2B2C14D15 16.33 3.36 -8.66 -0.41 0
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325151 126681534 1 O3N5C29H31 A3B5C29D31 -42.49 4.02 -8.31 -0.79 0
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325152 126681537 2 N2O2C15H16 A2B2C15D16 -88.24 4.2 -9.1 -0.88 0
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325153 126681567 1 FN4O4C30H31 AB4C4D30E31 -138.24 2.89 -9.24 -0.77 0
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325154 126681579 1 FN4O4C30H31 AB4C4D30E31 -131.52 2.61 -9.16 -0.87 0
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325155 126681598 2 ON2C15H16 AB2C15D16 32.48 0.75 -8.9 -0.59 0
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325156 126681619 1 ON5C28H35 AB5C28D35 48.47 1.78 -8.76 -0.53 -1
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325157 126681638 1 NSO3C14H14 ABC3D14E14 -21.5 7.16 0.0 0.0 0
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325158 126681655 1 O4N5C34H39 A4B5C34D39 -72.78 2.88 -8.95 -0.9 0
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325159 126681675 3 NOC15H15 ABC15D15 40.21 2.27 -8.36 -0.42 0
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325160 126681678 1 NO2C21H21 AB2C21D21 -21.12 1.92 -8.56 0.14 0
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325161 126681681 1 N3O3C39H41 A3B3C39D41 15.06 3.36 -8.69 -0.57 0
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325162 126681684 1 O3N4C38H40 A3B4C38D40 30.01 4.67 -8.59 -0.43 0
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325163 126681687 1 ON2C18H22 AB2C18D22 13.84 3.24 -8.7 -0.01 0
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325164 126681688 1 ClFO2N4H26C28 ABC2D4E26F28 -9.72 5.49 -9.14 -0.86 0
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325165 126681707 1 ON5C30H35 AB5C30D35 55.92 3.29 -8.84 -0.78 0
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325166 126681723 1 BrO2N4C37H37 AB2C4D37E37 67.09 1.65 -9.07 -0.66 0
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325167 126681727 1 FSO4N6C38H47 ABC4D6E38F47 -112.02 3.53 -8.49 -0.49 0
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325168 126681730 1 FSO4N5C39H48 ABC4D5E39F48 -121.04 4.57 -8.27 -0.4 0
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325169 126681732 1 OSN2C17H22 ABC2D17E22 28.33 3.34 -8.44 -0.82 0
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325170 126681739 1 OSN2C15H22 ABC2D15E22 6.94 2.14 -8.4 -0.38 0
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325171 126681740 1 FSO4N6C38H47 ABC4D6E38F47 -114.24 3.13 -8.49 -0.84 0
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325172 126681745 1 SO4N6C40H48 AB4C6D40E48 -49.06 9.66 -8.72 -0.62 0
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325173 126681750 1 FSO5N7C39H48 ABC5D7E39F48 -155.39 5.08 -8.6 -0.89 0
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325174 126681780 1 FN4O4C29H35 AB4C4D29E35 -158.43 2.68 -9.23 -0.65 0
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325175 126681781 1 FON4C31H33 ABC4D31E33 26.02 2.42 -9.12 -0.63 0
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325176 126681792 1 FON7H30C33 ABC7D30E33 91.61 6.68 -8.64 -1.04 0
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325177 126681799 1 FO2N5C29H34 AB2C5D29E34 -42.15 4.52 -9.23 -0.71 0
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325178 126681803 1 FOSN3C16H20 ABCD3E16F20 -35.14 4.12 -8.63 -0.22 0
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325179 126681810 1 N4O4C17H20 A4B4C17D20 -110.57 7.48 -9.69 -1.14 0
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325180 126681811 1 F3N4H13C15 A3B4C13D15 -77.12 2.52 -8.84 -1.06 0
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325181 126681813 1 F3N4O4C25H29 A3B4C4D25E29 -286.17 5.38 -9.41 -1.29 0
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325182 126681824 1 FO2N6C34H39 AB2C6D34E39 -16.22 7.1 -9.1 -0.7 1
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325183 126681827 1 NO3C28H48 AB3C28D48 -130.29 1.36 0.0 0.0 0
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325184 126681828 1 O5F7C9H9 A5B7C9D9 -572.26 5.75 -11.27 -0.47 0
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325185 126681831 1 O5H7C9F9 A5B7C9D9 -678.31 1.8 -11.99 -1.08 0
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325186 126681832 1 N5H33C51 A5B33C51 284.53 1.99 -8.79 -1.12 0
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325187 126681834 1 N7H31C49 A7B31C49 309.25 5.79 -8.93 -1.58 0
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325188 126681835 1 N7H31C49 A7B31C49 308.25 7.37 -8.81 -1.5 0
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325189 126681866 1 N5H33C53 A5B33C53 299.12 2.01 -8.41 -1.21 0
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325190 126681869 1 N5H33C53 A5B33C53 303.24 1.8 -8.56 -1.35 0
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325191 126681877 1 N5H37C57 A5B37C57 305.51 1.69 -8.82 -1.13 0
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325192 126681883 1 N5H31C49 A5B31C49 274.54 2.06 -8.55 -1.27 0
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325193 126681896 1 ClN3H16C27 AB3C16D27 153.27 4.39 -8.96 -1.23 0
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325194 126681899 1 N5H29C45 A5B29C45 265.08 1.97 -8.54 -1.29 0
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325195 126681904 1 O5C22H42 A5B22C42 -279.53 3.1 -10.17 0.53 0
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325196 126681905 2 O2C11H22 A2B11C22 -279.19 1.64 -10.33 0.68 0
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325197 126681917 2 O2C10H19 A2B10C19 -244.58 4.06 -9.65 0.49 0
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325198 126681922 1 O3C20H40 A3B20C40 -225.33 3.0 -10.56 0.71 0
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325199 126681932 4 OC5H10 AB5C10 -268.34 3.3 -10.34 0.46 0
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325200 126681937 1 O3C20H38 A3B20C38 -201.39 2.79 -9.57 0.71 0
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325201 126681941 2 O2C11H21 A2B11C21 -253.17 4.57 -9.59 0.49 0
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325202 126681943 2 O3C10H20 A3B10C20 -354.58 5.89 -10.17 0.47 0
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325203 126681944 1 O5C50H96 A5B50C96 -435.48 1.05 -10.11 0.0 0
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325204 126681946 2 O2C10H19 A2B10C19 -226.2 5.32 -10.05 0.64 0
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325205 126681951 5 OC4H8 AB4C8 -311.29 3.54 -10.19 0.67 0
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325207 126681961 1 N5O5C44H45 A5B5C44D45 -74.68 5.93 -7.93 -0.71 0
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325208 126681962 1 N3O5H37C40 A3B5C37D40 -26.09 4.65 -8.67 -0.69 0
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325209 126681966 2 ON2C4H7 AB2C4D7 -33.29 2.19 -10.47 -0.28 0
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325210 126681968 2 ON2C6H10 AB2C6D10 -45.79 7.82 -10.86 -0.34 -1
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325211 126681981 1 ClN3O3H7C11 AB3C3D7E11 -13.23 2.1 0.0 0.0 0
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325212 126682002 2 NC23H26 AB23C26 33.89 3.12 -7.54 0.02 0
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325213 126682005 2 NH14C21 AB14C21 187.87 3.09 -8.13 -0.6 0
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325214 126682006 2 NH14C21 AB14C21 187.07 2.93 -8.08 -0.52 0
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325215 126682014 2 NH18C27 AB18C27 232.95 3.09 -8.13 -0.56 0
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325216 126682027 2 NH18C27 AB18C27 233.19 3.11 -8.14 -0.69 0
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325217 126682038 1 SN2H30C48 AB2C30D48 214.65 3.62 -8.06 -0.66 0
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325218 126682058 1 ON2H36C58 AB2C36D58 225.14 3.94 -8.06 -0.84 0
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325219 126682077 1 BrSO2N3C9H12 ABC2D3E9F12 -26.26 4.66 -9.01 -0.57 0
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325220 126682099 1 NO7H25C27 AB7C25D27 -221.11 5.86 -8.68 -0.59 0
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325221 126682104 1 FSO2N4C24H27 ABC2D4E24F27 -61.37 6.39 -8.91 -0.78 0
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325226 126682131 1 NO5C7H11 AB5C7D11 -162.77 2.07 -10.04 -0.61 0
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325227 126682146 1 O3F6C17H24 A3B6C17D24 -492.86 5.98 -10.55 0.31 0
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325228 126682151 1 N3C13H29 A3B13C29 -22.18 1.28 -8.1 2.52 0
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325229 126682164 1 NOC11H19 ABC11D19 -54.66 3.87 -10.03 1.19 0