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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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305139 124766571 1 NO5C13H19 AB5C13D19 -200.26 2.45 -8.5 0.16 0
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305140 124766572 1 NO5C13H19 AB5C13D19 -199.16 2.46 -8.17 0.16 0
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305141 124766573 2 ON2C12H25 AB2C12D25 -185.88 2.31 -9.11 1.33 0
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305142 124766574 1 NO2C30H37 AB2C30D37 -33.81 2.36 -8.69 0.09 0
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305143 124766575 1 NO7C20H27 AB7C20D27 -290.74 3.42 -8.74 -0.24 0
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305144 124766576 1 O6C19H24 A6B19C24 -241.56 2.22 -8.58 -0.11 0
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305145 124766577 1 O6C19H24 A6B19C24 -232.63 5.82 -8.65 -0.17 0
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305151 124766584 1 ClN2O3H17C22 AB2C3D17E22 -14.67 6.06 -8.88 -0.66 0
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305153 124766587 1 N3O4C15H17 A3B4C15D17 -116.04 4.63 -9.48 -0.44 0
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305154 124766588 1 N3O4C15H17 A3B4C15D17 -117.89 4.13 -9.56 -0.52 0
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305155 124766589 1 ClNO3H28C32 ABC3D28E32 -41.61 5.33 -9.46 -0.38 0
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305157 124766677 1 NOCl5C16H16 ABC5D16E16 -44.9 3.03 -9.89 -0.43 0
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305158 124766687 1 NS2O6C18H25 AB2C6D18E25 -257.0 7.67 -8.7 -0.37 0
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305159 124766758 1 N3O5C24H25 A3B5C24D25 -102.09 8.04 -9.92 -1.86 0
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305160 124766796 1 N2O6C15H28 A2B6C15D28 -295.95 3.87 -9.12 1.44 1
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305162 124766829 2 NO2H15C17 AB2C15D17 -59.44 0.92 -9.05 -0.48 0
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305163 124766849 1 O4N5C17H19 A4B5C17D19 44.15 1.97 -10.17 -0.87 1
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305164 124766868 1 NO3C21H32 AB3C21D32 -111.97 4.68 0.0 0.0 0
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305165 124766870 1 N3O5C18H21 A3B5C18D21 -129.75 2.99 -8.86 -1.18 0
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305167 124766967 1 N2S3O5H16C19 A2B3C5D16E19 -154.48 2.52 -8.98 -1.22 0
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305168 124766999 1 NO7C27H33 AB7C27D33 -286.76 4.3 -8.17 -0.58 0
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305170 124767158 1 FSCl2N2O3H23C31 ABC2D2E3F23G31 -7.98 7.6 -8.46 -1.53 0
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305173 124767320 1 ClNF2O5C12H14 ABC2D5E12F14 -307.31 4.55 -8.74 -0.97 0
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305174 124767364 1 N2O4C23H34 A2B4C23D34 -178.95 5.16 -8.48 -0.32 0
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305175 124767371 1 ClSN2O5H23C24 ABC2D5E23F24 -115.5 2.88 -9.22 -0.53 0
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305176 124767375 1 O5C27H28 A5B27C28 -35.88 5.0 -9.37 -0.23 0
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305177 124767376 1 S2O4C17H28 A2B4C17D28 -151.4 8.16 -10.29 -0.28 0
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305178 124767378 2 NO3C6H8 AB3C6D8 -176.87 8.4 -9.6 -1.32 0
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305179 124767384 1 N2O5H20C23 A2B5C20D23 -122.4 7.69 -9.29 -0.76 0
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305180 124767386 1 SN2O5C25H26 AB2C5D25E26 -143.03 7.04 -9.57 -0.32 0
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305183 124767391 1 BrN2O4H23C30 AB2C4D23E30 -20.58 3.71 -8.52 -1.19 0
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305184 124767392 1 BrN2O4H23C30 AB2C4D23E30 -17.84 4.29 -8.45 -1.08 0
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305185 124767396 2 SN2O3C12H12 AB2C3D12E12 -34.63 12.57 -8.69 -1.56 0
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305187 124767417 2 NO2C14H18 AB2C14D18 -155.93 3.01 -8.38 -0.45 0
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305188 124767420 1 O7C21H22 A7B21C22 -272.39 4.07 -9.82 -0.6 0
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305189 124767422 1 NO2H25C28 AB2C25D28 -7.88 2.31 -8.86 0.05 0
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305190 124767423 1 NO2H25C28 AB2C25D28 -10.13 1.88 -8.89 0.01 0
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305191 124767424 1 N2S2O5H14C17 A2B2C5D14E17 -165.57 3.34 -9.27 -1.35 0
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305192 124767457 1 S2N3O3C23H23 A2B3C3D23E23 9.32 8.34 -8.44 -0.74 0
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305193 124767458 1 S2N3O3C23H23 A2B3C3D23E23 4.57 6.43 -8.81 -0.68 0
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305194 124767463 1 N2O8H22C23 A2B8C22D23 -276.77 2.67 -9.34 -0.78 0
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305195 124767481 1 NOBr2H19C25 ABC2D19E25 61.56 5.66 -8.84 -0.54 0
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305197 124767511 1 SO3C20H38 AB3C20D38 -198.25 2.99 -8.25 0.51 0
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305198 124767514 1 N2O3C30H30 A2B3C30D30 -56.67 8.5 -8.64 -0.64 0
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305199 124767515 1 N2O3C30H30 A2B3C30D30 -54.79 7.95 -8.64 -0.58 0
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305200 124767519 1 FN2O2H19C23 AB2C2D19E23 -17.84 1.82 -8.42 -0.26 0
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305201 124767520 1 FN2O2H19C23 AB2C2D19E23 -16.51 4.38 -8.46 -0.28 0
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305202 124767521 1 NO8C32H37 AB8C32D37 -271.53 12.06 -8.16 -0.46 0
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305205 124767529 1 BrClOF3N5C21H22 ABCD3E5F21G22 -115.67 5.89 -9.09 -1.08 0
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305206 124767531 1 NO2H27C28 AB2C27D28 -30.02 2.33 -9.08 0.08 0
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305207 124767532 2 ClO2N3H11C14 AB2C3D11E14 -2.62 2.53 -8.93 -1.08 0
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305209 124767559 1 O2N3H19C22 A2B3C19D22 35.23 2.15 -8.61 -0.98 0
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305211 124767575 1 NF3O6C13H16 AB3C6D13E16 -406.98 3.24 -9.25 -0.62 0
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305216 124767601 1 N2O6C29H30 A2B6C29D30 -192.23 0.81 -9.11 -0.39 0
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305217 124767603 1 BrO2N3H18C22 AB2C3D18E22 39.66 2.21 -8.66 -0.48 0
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305218 124767611 1 I3O3N4H37C38 A3B3C4D37E38 60.94 3.63 -9.04 -1.01 0
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305220 124767617 3 O5C9H12 A5B9C12 -683.47 4.23 -9.88 -0.34 0
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305221 124767618 1 NO3C17H19 AB3C17D19 -95.33 7.07 -8.99 -0.24 0
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305224 124767624 1 SN2O3H24C25 AB2C3D24E25 -65.67 7.46 -8.46 -0.62 0
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305231 124767683 1 SN3O6H21C22 AB3C6D21E22 -157.44 1.24 -9.37 -1.12 0
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305234 124767730 1 O3F5N6H23C32 A3B5C6D23E32 -152.74 5.68 -9.46 -1.54 0
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305235 124767733 2 O3C15H25 A3B15C25 -358.64 4.79 -10.21 0.26 0
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305236 124767746 1 SN2O4H28C30 AB2C4D28E30 -83.03 1.13 -8.44 -0.46 0
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305247 124767775 5 OC3H4 AB3C4 -214.64 6.75 -9.95 -0.53 0
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305249 124767787 4 O4C7H8 A4B7C8 -617.79 3.75 -8.78 -1.07 0
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305250 124767788 4 O4C7H8 A4B7C8 -624.13 6.17 -8.92 -1.27 0
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305251 124767789 4 O4C7H8 A4B7C8 -615.79 3.26 -8.65 -1.01 0
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305256 124767815 2 BrNOSC9H10 ABCDE9F10 -56.04 6.18 -8.78 -0.79 0
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305257 124767816 2 BrNOSC9H10 ABCDE9F10 -57.15 5.09 -8.74 -0.9 0
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305260 124767820 1 NO4C15H15 AB4C15D15 -111.2 5.05 -9.88 -0.17 0
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305261 124767823 1 SN2O3C16H22 AB2C3D16E22 -133.17 6.82 -9.01 -0.63 0
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305264 124767836 1 O4C29H40 A4B29C40 -199.51 3.39 -9.49 0.18 0
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305265 124767839 1 O17C31H38 A17B31C38 -707.1 9.19 -9.72 -0.69 0
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305268 124767848 1 BrO2N4C18H29 AB2C4D18E29 -70.66 3.95 -9.12 -0.39 0
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305271 124767853 1 OS2N3C20H21 AB2C3D20E21 51.01 4.52 -8.93 -1.02 0