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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217149 85087329 1 N2O2C21H24 A2B2C21D24 -26.83 6.21 -8.4 -0.11 0
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217150 85087332 1 OSN2C20H20 ABC2D20E20 39.25 8.79 -8.39 -0.75 1
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217151 85087341 1 NO3C14H20 AB3C14D20 -136.89 5.06 0.0 0.0 0
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217152 85087343 1 SeO2C17H22 AB2C17D22 -73.33 4.03 -8.78 -0.62 0
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217153 85087344 1 NO9C13H23 AB9C13D23 -358.27 4.38 -10.44 -0.68 0
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217154 85087345 1 N3O6C15H19 A3B6C15D19 -215.79 3.61 -9.85 -1.53 0
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217155 85087346 1 SN3O4C15H19 AB3C4D15E19 -107.4 3.53 -8.86 -1.6 0
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217156 85087347 1 NO3C21H23 AB3C21D23 -92.4 7.42 -9.7 -0.39 0
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217157 85087348 1 O2N3C20H27 A2B3C20D27 -22.29 5.01 -8.61 -0.12 0
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217158 85087349 1 NO2C22H27 AB2C22D27 -79.71 3.29 -8.28 -0.34 0
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217159 85087350 1 NO2C22H27 AB2C22D27 -43.89 2.72 -8.25 0.33 0
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217160 85087352 1 NO2C21H39 AB2C21D39 -161.85 2.94 -9.3 0.85 0
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217161 85087353 1 ClNO4C17H20 ABC4D17E20 -168.04 2.56 -8.48 -0.49 0
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217162 85087354 1 NCl2O2C17H17 AB2C2D17E17 -50.33 6.38 -8.44 -0.91 0
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217163 85087355 2 O4C8H9 A4B8C9 -323.18 7.03 -9.69 -1.47 0
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217164 85087356 1 N2O5C18H22 A2B5C18D22 -122.53 7.5 -9.8 -1.17 0
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217165 85087357 1 N2O5H14C18 A2B5C14D18 -83.1 3.04 -8.92 -0.83 0
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217166 85087358 1 PO5C17H23 AB5C17D23 -243.24 2.47 -9.27 -0.25 0
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217167 85087359 1 O7C17H22 A7B17C22 -258.73 2.9 -9.57 0.18 0
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217168 85087361 1 O4C21H22 A4B21C22 -79.13 3.24 -8.45 -0.01 0
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217169 85087366 1 OSSeN2C14H18 ABCD2E14F18 -10.16 6.51 -8.78 -1.11 0
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217170 85087367 1 SO3N5H9C15 AB3C5D9E15 131.36 2.12 -9.11 -2.27 0
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217171 85087368 1 N3O4H17C18 A3B4C17D18 -98.07 4.29 -8.43 -1.03 0
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217172 85087369 1 FO2N3C19H22 AB2C3D19E22 -51.33 6.83 -8.24 -1.06 0
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217173 85087370 1 N3O3C19H21 A3B3C19D21 -64.13 5.39 -8.46 -0.36 0
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217174 85087373 1 NO3C21H25 AB3C21D25 -92.02 3.88 -8.9 0.08 0
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217175 85087376 1 NOC23H33 ABC23D33 -38.69 4.15 -9.64 -0.76 0
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217176 85087377 1 NOSiC21H29 ABCD21E29 -28.66 0.93 -9.26 -0.09 0
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217177 85087378 1 ClON7C15H20 ABC7D15E20 39.16 10.3 -8.95 -0.29 0
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217178 85087379 1 ClON3H18C19 ABC3D18E19 39.84 5.27 -8.56 -0.96 0
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217179 85087380 1 ClNOSC18H26 ABCDE18F26 -49.88 2.74 -8.73 -0.34 0
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217180 85087384 1 N2O4C19H20 A2B4C19D20 -129.83 5.91 -9.07 -0.2 0
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217181 85087385 1 N2O4C19H20 A2B4C19D20 -82.84 4.24 -8.45 -0.84 0
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217182 85087387 1 O2F3C19H23 A2B3C19D23 -267.76 3.36 -9.06 -0.1 0
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217183 85087388 1 SO6C16H20 AB6C16D20 -231.98 4.0 -9.78 -0.53 0
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217184 85087389 1 SN2O3H16C18 AB2C3D16E18 -27.17 4.14 -9.07 -1.47 0
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217185 85087393 1 ClO6C16H17 AB6C16D17 -235.13 2.03 -8.99 -0.29 0
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217186 85087396 1 N3O4C18H19 A3B4C18D19 -41.12 3.15 -8.6 -0.47 0
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217187 85087397 1 FO2N3C19H20 AB2C3D19E20 -73.72 5.86 -9.32 -0.3 0
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217188 85087398 1 SN3O5C14H19 AB3C5D14E19 -136.49 6.83 -9.89 -0.71 0
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217189 85087399 1 NO6C17H27 AB6C17D27 -272.15 0.71 -10.34 -0.66 0
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217190 85087401 1 ON7C17H29 AB7C17D29 46.91 6.41 -8.66 0.49 0
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217191 85087402 1 FNO2C21H24 ABC2D21E24 -113.38 2.58 -9.16 -0.13 0
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217192 85087403 1 NO5C18H31 AB5C18D31 -158.0 2.06 -9.18 -0.31 0
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217193 85087404 1 NSO2C20H23 ABC2D20E23 -75.79 5.63 -9.33 -0.18 0
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217194 85087405 1 NSO2C20H23 ABC2D20E23 -27.23 3.12 -9.27 -0.49 0
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217195 85087406 1 NSiO4C17H31 ABC4D17E31 -234.31 2.78 -8.85 0.41 0
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217196 85087407 1 NSiO4C17H31 ABC4D17E31 -228.29 3.84 -9.44 0.72 0
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217197 85087408 1 ClFN5C17H21 ABC5D17E21 16.61 5.09 -9.14 -0.08 0
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217198 85087409 1 ClNO3H16C19 ABC3D16E19 -69.36 2.37 -9.13 -0.76 0
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217199 85087411 1 ClFNO2C18H25 ABCD2E18F25 -136.01 1.83 -9.01 -0.13 0
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217200 85087413 1 FO9C13H23 AB9C13D23 -452.97 1.81 -10.26 0.26 0
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217201 85087414 1 O6H18C19 A6B18C19 -201.02 4.74 -8.97 -0.86 0
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217202 85087415 1 N2O5C18H18 A2B5C18D18 -113.7 10.72 -8.64 -0.59 0
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217203 85087417 1 N4O4C17H20 A4B4C17D20 -108.8 3.9 -8.78 -0.92 0
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217204 85087418 1 FON2H15C22 ABC2D15E22 46.12 3.17 -8.61 -1.45 0
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217205 85087424 2 SN2O2C6H7 AB2C2D6E7 -103.46 4.24 -9.06 -1.97 0
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217206 85087425 1 SO2N4C17H18 AB2C4D17E18 25.41 9.29 -8.64 -1.11 0
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217207 85087426 1 SO2N4C17H26 AB2C4D17E26 -22.85 7.26 -8.45 -0.82 0
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217208 85087427 6 OC3H5 AB3C5 -232.9 2.65 -9.38 0.09 0
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217209 85087428 1 O4C21H26 A4B21C26 -173.86 3.79 -8.8 -0.48 0
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217210 85087429 1 N2O3C20H26 A2B3C20D26 -102.91 3.32 -9.58 -0.01 0
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217211 85087430 1 SO3C20H22 AB3C20D22 33.17 1.26 -9.1 -1.1 0
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217212 85087434 1 BrN2O3C14H19 AB2C3D14E19 -84.47 4.88 -9.44 -0.58 0
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217213 85087441 1 NO4C20H25 AB4C20D25 -143.99 2.59 -9.22 -0.35 0
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217214 85087445 1 NSiO5C16H29 ABC5D16E29 -293.28 1.57 -9.71 0.35 0
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217215 85087446 1 LiNSiO2C19H34 ABCD2E19F34 -91.56 13.06 -5.6 0.46 1
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217216 85087448 1 ClN5O6C11H11 AB5C6D11E11 -129.16 3.19 0.0 0.0 0
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217217 85087449 1 ClNO2C20H22 ABC2D20E22 -70.99 6.41 -9.4 -1.24 0
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217218 85087450 1 ClO2N5C15H26 AB2C5D15E26 -90.11 2.87 -9.5 -0.48 0
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217219 85087454 1 N4O4C17H20 A4B4C17D20 -98.71 2.9 -9.46 -0.47 0
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217220 85087455 1 OPH21C23 ABC21D23 25.41 4.9 -8.68 -0.2 0
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217221 85087459 1 O4C21H28 A4B21C28 -144.01 3.62 -9.33 0.35 0
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217222 85087460 1 O4C21H28 A4B21C28 -162.3 4.73 -8.93 -0.65 0
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217223 85087461 1 N2O5C17H32 A2B5C17D32 -290.81 1.79 -9.78 0.69 0