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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159243 57266400 1 NO2C19H25 AB2C19D25 -95.77 3.33 -9.64 -0.14 0
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159244 57266590 1 N2O4C21H26 A2B4C21D26 -136.6 6.76 -9.53 -0.24 0
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159245 57266949 1 N5C19H21 A5B19C21 118.88 5.22 -8.34 -0.31 0
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159246 57268340 1 S2N3O6H9C12 A2B3C6D9E12 -142.06 4.65 -10.0 -1.93 0
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159247 57269252 1 SO4C15H32 AB4C15D32 -240.81 3.15 -10.73 -0.68 0
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159248 57269296 1 N5O12C20H37 A5B12C20D37 -549.63 5.02 -9.28 -0.43 0
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159249 57269318 1 ClOPC6H12 ABCD6E12 -86.0 5.07 -9.39 -0.05 1
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159250 57269320 1 SO2N5C26H30 AB2C5D26E30 23.63 8.25 0.0 0.0 0
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159251 57269322 1 N4O10C19H34 A4B10C19D34 -478.15 14.2 -10.15 0.06 0
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159252 57269324 1 N2O9C18H26 A2B9C18D26 -316.31 8.06 -9.93 -1.19 0
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159253 57269326 1 O9C37H64 A9B37C64 -455.61 5.05 -9.4 -0.15 0
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159254 57269336 1 FN2O6C15H19 AB2C6D15E19 -214.15 7.56 -9.45 -1.21 0
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159255 57269338 2 C7H11 A7B11 48.82 0.38 -9.78 1.77 0
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159256 57269341 2 NH7C8 AB7C8 78.92 3.52 -8.78 -0.41 0
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159257 57269345 1 PO4C7H13 AB4C7D13 -216.68 2.88 -10.18 0.21 0
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159258 57269347 1 N2O3C14H18 A2B3C14D18 -112.68 3.13 -8.48 -0.28 0
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159259 57269351 1 N3O6H21C22 A3B6C21D22 -105.57 5.8 -10.05 -1.39 0
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159260 57269354 1 ClNSO5H6C8 ABCD5E6F8 -96.42 4.64 -9.41 -2.0 0
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159261 57269357 1 SN2O5C27H30 AB2C5D27E30 -134.01 6.35 -8.69 -0.66 0
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159262 57269360 1 ClSO5N6C20H21 ABC5D6E20F21 -107.29 1.49 -8.96 -0.71 0
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159263 57269362 1 O6C19H40 A6B19C40 -345.08 3.54 -10.14 0.56 0
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159264 57269365 1 N3O8C29H49 A3B8C29D49 -381.51 4.99 -9.38 0.2 0
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159265 57269368 2 ClS3N5O9H12C16 AB3C5D9E12F16 -529.49 3.8 -9.76 -2.05 0
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159266 57269371 1 OCl2N3C15H21 AB2C3D15E21 -46.22 4.95 -9.12 -0.28 0
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159267 57269374 1 N2F3O5C36H39 A2B3C5D36E39 -262.18 6.29 -8.66 -1.3 0
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159268 57269377 1 NO13C45H73 AB13C45D73 -636.51 10.14 -9.57 -0.09 0
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159269 57269388 1 NSO5C25H25 ABC5D25E25 -126.73 6.62 -9.0 -0.71 0
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159270 57269390 1 N2C13H30 A2B13C30 -44.81 1.96 -8.43 2.84 0
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159271 57269394 1 NO2C10H13 AB2C10D13 -45.11 2.06 -9.06 -0.26 0
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159272 57269396 1 SO5C24H34 AB5C24D34 -251.64 3.74 -9.94 -0.88 0
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159273 57269402 1 PS3O4C5H13 AB3C4D5E13 -231.34 3.7 -9.02 -1.9 0
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159274 57269403 1 O9C35H36 A9B35C36 -260.95 2.03 -9.48 -1.02 0
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159275 57269404 1 N2O5C16H20 A2B5C16D20 -172.3 6.03 -9.14 -0.95 0
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159276 57269405 1 NCl2F3O4H12C16 AB2C3D4E12F16 -292.98 3.45 -10.05 -1.88 0
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159277 57269409 1 NOC21H23 ABC21D23 -10.04 4.62 -8.45 -0.68 0
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159278 57269412 1 OSC7H12 ABC7D12 -51.61 5.09 -9.54 0.03 0
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159279 57269417 1 O3C27H46 A3B27C46 -211.15 2.13 -9.1 1.5 0
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159280 57269419 1 SO2C5H8 AB2C5D8 -84.1 2.49 -9.45 -0.07 0
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159281 57269420 1 NO5C14H19 AB5C14D19 -204.59 4.17 -9.26 -0.23 0
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159282 57269421 1 ClNO2C8H10 ABC2D8E10 -8.12 2.48 -9.92 -0.59 0
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159283 57269431 1 NOC12H21 ABC12D21 -64.94 4.82 -10.17 0.51 0
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159284 57269434 1 SN4O6H16C21 AB4C6D16E21 -2.94 6.99 -9.5 -2.68 0
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159285 57269436 2 ClON4C7H10 ABC4D7E10 15.32 3.09 -9.38 -1.36 0
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159286 57269440 2 NO4C9H13 AB4C9D13 -247.46 5.66 -9.87 -0.84 0
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159287 57269452 1 O2Si2N3C12H17 A2B2C3D12E17 -120.93 3.75 -8.99 -0.41 0
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159288 57269455 1 N2O5F7C32H41 A2B5C7D32E41 -540.48 8.6 -8.82 -0.7 0
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159289 57269458 1 N2S2O3C22H24 A2B2C3D22E24 -24.31 5.69 -8.59 -0.71 0
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159290 57269461 1 N2O3H30C33 A2B3C30D33 10.09 4.89 -8.62 -0.6 0
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159291 57269464 2 NOSC11H12 ABCD11E12 -13.51 5.57 -8.76 -1.19 0
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159292 57269467 1 NSF3O13C28H28 ABC3D13E28F28 -620.49 6.56 -9.18 -2.2 1