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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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325230 126682167 1 OC10H20 AB10C20 -87.26 1.91 -9.49 2.55 0
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325231 126682170 1 OC8H16 AB8C16 -76.7 1.73 -9.54 2.52 0
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325232 126682178 1 O2N3C6H9 A2B3C6D9 -28.7 1.48 -9.77 -0.05 0
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325233 126682194 1 ClON5C21H22 ABC5D21E22 39.1 4.94 -9.08 -0.82 0
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325234 126682199 1 ON5C23H25 AB5C23D25 37.33 5.58 -9.0 -0.6 0
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325235 126682208 1 ClOSN5H22C23 ABCD5E22F23 54.56 2.09 -8.78 -0.91 0
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325236 126682210 1 ClON5C23H24 ABC5D23E24 42.74 5.81 -9.12 -0.82 0
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325237 126682234 1 ClFN4H14C17 ABC4D14E17 31.8 4.85 -9.32 -1.02 0
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325238 126682235 1 ClON5C21H22 ABC5D21E22 42.85 3.02 -9.22 -0.94 1
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325239 126682244 1 SN3O6C53H70 AB3C6D53E70 -208.83 6.48 0.0 0.0 1
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325240 126682245 1 ON3C40H46 AB3C40D46 61.2 2.35 0.0 0.0 0
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325241 126682248 1 ON2C25H32 AB2C25D32 -10.01 3.38 -8.85 0.28 0
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325242 126682252 1 BrSO2C21H21 ABC2D21E21 -23.44 2.45 -8.81 -0.54 0
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325243 126682253 1 O11C16H30 A11B16C30 -528.6 4.89 -10.36 0.47 0
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325244 126682258 1 SN4O9C27H46 AB4C9D27E46 -385.72 8.35 -8.81 -1.32 0
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325245 126682266 1 BrFN3H19C20 ABC3D19E20 30.95 3.25 -8.78 -0.96 0
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325246 126682270 1 FN4C20H21 AB4C20D21 43.59 2.04 -9.18 -0.94 0
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325247 126682280 1 F2N4H18C19 A2B4C18D19 22.24 4.37 -9.33 -1.1 0
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325248 126682288 1 S2F3O3N6C33H37 A2B3C3D6E33F37 -188.49 8.51 -8.96 -1.4 0
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325249 126682290 1 F3S3O4N6C25H25 A3B3C4D6E25F25 -179.58 10.62 -8.61 -1.15 0
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325250 126682291 1 NH35C36 AB35C36 156.22 0.89 -8.03 0.06 0
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325251 126682294 1 PN5O8C28H34 AB5C8D28E34 -303.81 9.24 -8.67 -0.44 0
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325252 126682296 1 O2N5C21H23 A2B5C21D23 37.79 4.89 -8.94 -0.64 0
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325253 126682304 1 SF2N2O2C13H14 AB2C2D2E13F14 -78.27 4.73 -9.51 -1.43 0
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325254 126682306 1 BrOSF2N2C12H13 ABCD2E2F12G13 -107.96 3.24 -9.58 -0.93 0