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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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323136 126672839 2 ON2H8C10 AB2C8D10 30.54 6.07 -8.82 -1.09 0
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323137 126672843 1 O2N4H18C21 A2B4C18D21 37.95 5.62 -8.9 -1.23 0
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323138 126672844 1 OF3N4H15C21 AB3C4D15E21 -85.57 6.72 -8.82 -1.44 0
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323139 126672863 1 O3N4H18C21 A3B4C18D21 34.26 6.21 -7.81 -1.79 0
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323140 126672870 1 O14C59H96 A14B59C96 -765.98 6.67 -9.44 -0.99 0
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323141 126672874 1 N3O3C19H21 A3B3C19D21 -51.34 3.87 -8.28 -0.56 0
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323142 126672883 1 ON4H12C17 AB4C12D17 94.72 1.99 -9.01 -1.35 0
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323143 126672886 1 FSN4C16H21 ABC4D16E21 2.88 1.37 -8.63 -0.32 0
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323144 126672897 1 SO3N5H19C21 AB3C5D19E21 36.37 2.28 -8.64 -1.08 0
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323145 126672918 1 O2N5C8H9 A2B5C8D9 50.17 2.37 -10.1 -1.78 0
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323146 126672927 1 O2N5C24H25 A2B5C24D25 25.31 2.92 -8.94 -1.24 0
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323147 126672930 1 O2N3H17C20 A2B3C17D20 40.22 5.19 -8.68 -0.96 0
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323148 126672934 1 N3O4H15C20 A3B4C15D20 21.47 4.76 -7.93 -1.98 0
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323149 126672937 2 ON2C11H12 AB2C11D12 -13.68 3.23 -8.33 -0.5 0
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323150 126673017 1 ON5C13H13 AB5C13D13 68.88 4.75 -8.56 -0.76 0
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323151 126673018 1 ClSN2O3H19C22 ABC2D3E19F22 -68.98 8.93 -9.04 -1.22 0
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323152 126673023 1 ClN3O4H16C20 AB3C4D16E20 -64.77 7.23 -9.0 -1.41 0
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323153 126673027 1 BrOSC11H13 ABCD11E13 -5.56 3.49 -9.24 -0.63 0
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323154 126673030 1 ClO3N4H17C20 AB3C4D17E20 -34.35 7.14 -9.03 -1.14 0
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323155 126673058 1 ClON2C7H17 ABC2D7E17 -78.95 9.01 -9.56 -0.06 0
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323156 126673079 1 O2S2N4C21H32 A2B2C4D21E32 -52.79 4.38 -8.51 -0.74 0
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323157 126673084 2 ON2H8C10 AB2C8D10 50.18 6.99 -9.32 -0.86 0
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323158 126673096 1 ClN2O4C16H21 AB2C4D16E21 -185.55 1.95 -8.96 -0.73 0
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323159 126673099 1 SO4N5C10H11 AB4C5D10E11 -43.1 9.97 -10.31 -2.25 0
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323160 126673100 2 ON2H8C9 AB2C8D9 55.36 3.0 -8.86 -1.05 0
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323161 126673128 1 SO3N5C27H33 AB3C5D27E33 -53.59 8.17 -8.82 -0.53 0
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323162 126673153 1 O2N3H15C19 A2B3C15D19 43.25 6.49 -8.7 -1.03 0
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323163 126673162 1 O2S2N7C16H17 A2B2C7D16E17 69.52 2.62 -8.49 -0.91 0
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323164 126673174 1 SO2N5C21H21 AB2C5D21E21 56.96 6.44 -8.61 -0.81 0
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323165 126673176 1 O5C17H22 A5B17C22 -214.73 3.98 -9.57 -0.3 0
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323166 126673182 1 O2N5C22H23 A2B5C22D23 63.67 11.74 -7.55 -1.78 0
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323167 126673193 1 SO2N4C16H20 AB2C4D16E20 15.13 5.97 -7.9 -0.86 0
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323168 126673196 1 FO2N3H16C20 AB2C3D16E20 6.73 2.84 -8.22 -1.13 0
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323169 126673197 1 O2N4H18C21 A2B4C18D21 28.1 3.12 -8.96 -1.16 0
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323170 126673198 1 FO2N3H14C19 AB2C3D14E19 37.65 1.89 -8.16 -2.11 0
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323171 126673201 1 N5C14H15 A5B14C15 94.35 4.59 -8.93 -0.96 0
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323172 126673202 1 N5C14H15 A5B14C15 92.03 5.75 -9.03 -0.83 0
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323173 126673204 2 OSN2C9H13 ABC2D9E13 -50.54 3.13 -9.2 -1.27 0
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323174 126673213 1 ClN3O4C20H28 AB3C4D20E28 -203.01 3.35 -8.98 -0.76 0
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323175 126673216 1 O2N5H17C18 A2B5C17D18 71.62 5.7 -8.06 -0.89 0
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323176 126673218 1 N2O4C13H18 A2B4C13D18 -160.57 3.97 -8.89 0.11 0
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323177 126673237 1 N2O4C17H26 A2B4C17D26 -165.15 6.92 -9.24 0.05 0
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323178 126673240 1 SO2N6C11H18 AB2C6D11E18 22.3 4.28 -8.92 -0.9 0
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323179 126673270 1 N2C19H40 A2B19C40 -67.74 0.08 -8.16 2.75 0
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323180 126673271 1 OSF2N2H12C14 ABC2D2E12F14 -92.75 2.42 -9.11 -0.86 0
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323181 126673278 1 O4C21H34 A4B21C34 -182.27 1.59 -8.48 0.23 0
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323182 126673284 1 S2N4O4C19H20 A2B4C4D19E20 -92.47 9.35 -8.45 -1.42 0
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323183 126673295 1 ON4H14C19 AB4C14D19 98.02 5.3 -9.1 -1.36 0
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323184 126673303 1 FN4H11C17 AB4C11D17 91.03 1.84 -9.09 -1.26 0
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323185 126673315 1 ClNSO3C22H22 ABCD3E22F22 -85.14 6.93 -8.84 -0.86 0
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323186 126673316 1 ClN3O4C12H14 AB3C4D12E14 -164.47 6.63 -9.43 -1.26 0
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323187 126673320 2 ClNO3C18H18 ABC3D18E18 -156.69 2.87 -8.44 -0.48 0
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323188 126673325 1 N7O8C24H29 A7B8C24D29 -106.35 11.57 -9.23 -1.7 0
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323189 126673354 1 F2S2O3N4C21H30 A2B2C3D4E21F30 -217.69 2.16 -8.63 -0.67 0
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323190 126673364 1 N2O3C27H28 A2B3C27D28 -34.31 4.98 -8.3 -0.11 0
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323191 126673373 1 ClN2O3C12H15 AB2C3D12E15 -124.25 2.06 -9.09 -0.87 0
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323192 126673385 1 ClSN2O4H15C20 ABC2D4E15F20 -82.14 2.67 -9.25 -1.37 0
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323193 126673387 1 ClN3O4C19H22 AB3C4D19E22 -146.48 6.78 -8.93 -1.11 0
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323194 126673402 1 S2O3N5C24H29 A2B3C5D24E29 -50.19 5.82 -8.64 -0.83 0
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323195 126673425 1 O3H14C15 A3B14C15 -37.26 4.66 -9.84 -0.71 0
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323196 126673440 2 SO8C18H29 AB8C18D29 -658.61 8.46 -9.47 -0.73 1
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323197 126673469 1 NO2C23H46 AB2C23D46 -120.82 3.93 0.0 0.0 0
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323198 126673507 1 SF3N3O5H20C23 AB3C3D5E20F23 -257.54 5.03 -8.68 -1.76 0
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323199 126673510 1 SN3O4F5H20C24 AB3C4D5E20F24 -334.87 4.44 -8.84 -1.14 0
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323200 126673537 1 SF3N4O5H35C36 AB3C4D5E35F36 -217.06 6.85 -8.32 -0.76 0
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323201 126673538 1 FSN4O5C37H41 ABC4D5E37F41 -165.07 5.16 -8.68 -0.39 0
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323202 126673567 1 SF3N3O6H22C25 AB3C3D6E22F25 -328.28 6.33 -8.65 -1.36 0
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323203 126673583 1 O4N5C22H25 A4B5C22D25 -58.81 3.04 -8.3 -0.35 0
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323204 126673584 1 SN2O5H22C23 AB2C5D22E23 -110.36 6.25 -8.5 -0.67 0
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323205 126673609 1 NO4C29H39 AB4C29D39 -177.54 4.82 -8.77 -0.33 0
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323206 126673612 1 SN3F5O6H28C29 AB3C5D6E28F29 -454.5 3.47 -8.66 -1.25 0
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323207 126673637 1 NSO3H13C15 ABC3D13E15 -35.53 3.75 -8.98 -0.7 0
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323208 126673640 1 SF3N4O9C39H41 AB3C4D9E39F41 -399.62 1.85 -7.83 -0.98 0
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323209 126673645 1 NS2O6H17C18 AB2C6D17E18 -180.72 4.11 -9.25 -0.86 0
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323210 126673662 1 F3N5O6H32C33 A3B5C6D32E33 -295.96 5.37 -9.1 -1.13 0
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323211 126673676 1 F3N5O5H32C33 A3B5C5D32E33 -253.63 7.74 -9.09 -1.23 0
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323212 126673677 1 PF3N5O6C26H27 AB3C5D6E26F27 -383.25 11.0 -9.31 -1.46 0
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323213 126673684 2 NOC11H12 ABC11D12 -39.37 2.17 -8.19 -0.19 0
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323214 126673702 1 S2F3N3O6C24H24 A2B3C3D6E24F24 -326.13 7.13 -8.62 -0.99 0
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323215 126673704 1 SF2N2O5H14C18 AB2C2D5E14F18 -230.17 4.47 -8.94 -1.15 0
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323216 126673705 1 NSO4H13C15 ABC4D13E15 -59.97 4.05 -8.98 -0.77 0
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323217 126673706 1 O2N6C25H28 A2B6C25D28 -11.62 1.09 -8.75 -0.98 0
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323219 126673708 1 NO11C41H69 AB11C41D69 -475.33 6.46 -8.21 -0.08 0
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323220 126673709 1 OCl2N4C14H20 AB2C4D14E20 -81.67 9.2 -9.2 -1.14 0
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323221 126673710 1 OCl2N4C16H24 AB2C4D16E24 -96.45 5.01 -9.76 -1.18 0
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323222 126673711 1 N2O2H8C17 A2B2C8D17 55.44 1.92 -9.46 -2.53 0
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323223 126673712 1 O2N7C26H31 A2B7C26D31 -1.4 5.37 -8.72 -0.99 0
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323224 126673713 1 IO5H19C28 AB5C19D28 -81.97 3.01 -8.35 -0.86 0
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323225 126673714 1 FSO3N5H18C21 ABC3D5E18F21 -30.28 6.35 -8.51 -1.43 0
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323226 126673715 1 O5H22C29 A5B22C29 -108.93 2.0 -8.28 -0.79 0
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323227 126673716 1 BrON2C9H11 ABC2D9E11 -21.95 4.43 -8.58 0.03 0
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323228 126673717 1 BrON2C9H11 ABC2D9E11 -21.95 4.42 -8.58 0.03 0
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323229 126673718 1 IO7H37C39 AB7C37D39 -201.87 4.75 -8.29 -0.78 0
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323230 126673719 1 BrON3H4C6 ABC3D4E6 28.23 5.49 -9.41 -1.03 0
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323231 126673720 1 O7C40H40 A7B40C40 -226.5 3.98 -8.13 -0.68 0
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323232 126673737 1 O2N3H11C14 A2B3C11D14 44.98 4.66 -8.83 -1.74 0
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323233 126673743 1 ClON4H13C15 ABC4D13E15 62.5 7.86 -9.21 -0.81 0
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323234 126673744 1 NO3C5H11 AB3C5D11 -152.87 5.94 -10.8 0.46 0
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323235 126673745 1 BrN2O3C9H9 AB2C3D9E9 -25.25 6.67 -8.9 -1.39 0
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323236 126673747 1 BrN2O3C9H9 AB2C3D9E9 -25.26 6.68 -8.9 -1.39 0