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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162290 57394199 1 ClN3O5C35H42 AB3C5D35E42 -133.88 7.85 -8.78 -0.21 0
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162291 57394200 2 ClN2O2C17H19 AB2C2D17E19 -114.05 4.94 -9.1 -0.63 0
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162292 57394201 1 ClO2N3H22C25 AB2C3D22E25 17.8 2.54 -8.9 -0.78 0
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162293 57394208 2 NO3C6H9 AB3C6D9 -260.29 2.41 -9.77 -0.57 0
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162294 57394212 1 BrO2N4C23H37 AB2C4D23E37 -106.03 2.99 -8.99 -0.12 0
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162295 57394214 1 SCl2O3N4C21H24 AB2C3D4E21F24 -120.82 9.63 -8.9 -1.14 0
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162296 57394216 1 NSO4H21C23 ABC4D21E23 -110.4 6.4 -8.94 -1.4 0
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162299 57394233 1 N2O3C30H41 A2B3C30D41 -73.69 3.58 0.0 0.0 1
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162300 57394234 1 SN2O3C28H39 AB2C3D28E39 -67.14 3.98 0.0 0.0 0
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162301 57394235 1 OF2N5C22H23 AB2C5D22E23 -69.14 4.21 -8.58 -0.38 0
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162302 57394237 1 O2N5C24H29 A2B5C24D29 -16.71 2.5 -8.18 -0.04 0
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162303 57394244 2 ON2H9C10 AB2C9D10 21.85 6.05 -8.68 -0.48 0
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162304 57394246 1 O2N5H19C20 A2B5C19D20 27.31 1.32 -8.89 -0.84 0
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162306 57394250 2 N9O11C37H58 A9B11C37D58 -1022.5 20.84 -8.88 -0.97 0
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162307 57394251 1 N17O34C86H113 A17B34C86D113 -1481.29 7.05 -8.93 -0.53 0
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162308 57394252 1 N17O34C79H107 A17B34C79D107 -1480.96 18.82 -8.91 -1.87 0
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162309 57394255 1 NO3C21H21 AB3C21D21 -98.12 4.18 -9.05 -1.48 0
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162311 57394262 1 O4C29H42 A4B29C42 -203.52 7.2 -8.88 -0.85 0
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162312 57394263 1 ClSO4N5H22C27 ABC4D5E22F27 -57.99 3.12 -8.83 -0.82 0
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162313 57394264 1 ClSN5O5H22C27 ABC5D5E22F27 -96.14 8.81 -8.73 -0.73 0
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162315 57394266 1 BrN3H12C17 AB3C12D17 92.69 7.04 -8.89 -1.11 0
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162317 57394268 1 BrN4H9C17 AB4C9D17 136.35 6.41 -9.22 -1.52 0
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162319 57394282 1 FON2C21H29 ABC2D21E29 -89.6 6.21 -8.27 0.06 0
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162321 57394290 1 O2N5H23C24 A2B5C23D24 30.06 4.44 -8.5 -1.26 0
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162322 57394294 1 OCl2N6H24C25 AB2C6D24E25 42.61 6.88 -8.97 -0.63 0
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162323 57394296 1 ClSO2N5C19H26 ABC2D5E19F26 -61.24 6.14 -9.03 -0.31 0
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162324 57394307 5 OC4H4 AB4C4 -165.35 4.57 -8.97 -0.13 0
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162326 57394312 1 OF2N5H29C31 AB2C5D29E31 -10.94 7.02 -8.78 -0.92 0
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162327 57394315 1 NO6C20H21 AB6C20D21 -195.11 9.07 -8.93 -0.9 0
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162328 57394318 1 SO38N57C133H243 AB38C57D133E243 -1734.29 16.6 -9.37 -0.61 0
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162329 57394326 2 ON3C10H10 AB3C10D10 19.1 2.06 -9.11 -1.3 0
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162330 57394327 1 BrFSO4N6H12C14 ABCD4E6F12G14 -40.32 5.84 -9.5 -1.8 0
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162331 57394330 1 O3N4C25H38 A3B4C25D38 -154.65 1.74 -9.28 0.29 0
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162332 57394331 1 SN2O2C21H22 AB2C2D21E22 -14.39 8.93 -8.49 -0.3 0
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162333 57394332 1 SO2N3C19H19 AB2C3D19E19 91.63 7.8 -8.35 -0.66 0
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162334 57394333 1 SO2N3H21C22 AB2C3D21E22 94.49 8.93 -8.3 -0.39 0
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162335 57394334 2 NOSH10C11 ABCD10E11 98.26 8.88 -8.44 -0.8 0
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162336 57394339 1 ClF2N2O2C23H23 AB2C2D2E23F23 -115.75 2.2 -9.26 -0.73 0
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162338 57394343 1 F2N2O2H26C27 A2B2C2D26E27 -87.27 3.33 -9.0 -0.6 0
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162340 57394352 1 BrNSO4H12C17 ABCD4E12F17 -66.87 2.56 -8.96 -1.72 0
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162342 57394364 1 BrFO3N5H17C20 ABC3D5E17F20 -48.28 7.48 -9.21 -1.64 0
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162343 57394369 1 N2O5C29H36 A2B5C29D36 -185.12 4.33 -8.47 -0.53 0
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162347 57394376 1 FSO2N4H17C23 ABC2D4E17F23 24.89 3.3 -8.32 -1.29 0
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162348 57394378 1 ClSN3O3C24H24 ABC3D3E24F24 -74.38 9.96 -8.74 -1.41 0
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162349 57394383 1 SO3N6C26H28 AB3C6D26E28 -7.51 8.18 -8.48 -0.97 0
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162350 57394388 1 PN4O8C11H15 AB4C8D11E15 -318.03 10.34 -9.38 -1.04 0
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162351 57394400 1 O5N9C30H43 A5B9C30D43 -157.39 9.49 -9.25 -0.64 0
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162352 57394402 2 ClN2H10C13 AB2C10D13 108.27 4.55 -8.89 -0.95 0
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162353 57394407 1 O2N3C24H33 A2B3C24D33 -66.76 5.82 -8.24 -0.01 0
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162354 57394413 1 BrSO2N7H10C13 ABC2D7E10F13 143.99 3.58 -8.77 -1.38 0
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162355 57394416 1 NSCl2O3H19C21 ABC2D3E19F21 -55.03 4.69 -9.1 -1.3 0
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162356 57394417 1 SO3N4H14C16 AB3C4D14E16 -21.99 5.5 -8.7 -1.53 0
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162357 57394419 1 ClSO3N4H17C22 ABC3D4E17F22 -6.81 4.13 -8.59 -1.65 0
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162358 57394421 1 ClFON7C13H13 ABCD7E13F13 -10.41 2.32 -8.57 -0.77 0
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162359 57394422 1 SCl2O3N7C15H19 AB2C3D7E15F19 -94.7 4.72 -8.65 -0.74 0
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162360 57394428 1 ION7C11H18 ABC7D11E18 21.76 1.65 -8.31 -0.77 0
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162361 57394430 1 N3O3H21C28 A3B3C21D28 14.57 4.57 -9.14 -0.92 0
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162362 57394431 1 N3O3H23C29 A3B3C23D29 5.19 5.4 -8.78 -0.98 0
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162364 57394441 1 Cl2O2N4H16C17 A2B2C4D16E17 -46.58 2.43 -9.82 -1.23 0
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162365 57394442 1 O2F3N3C21H24 A2B3C3D21E24 -184.45 8.05 -9.02 -0.24 0
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162366 57394456 1 O3N4H16C19 A3B4C16D19 0.94 4.88 -8.36 -1.73 0
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162369 57394464 1 ON4H20C21 AB4C20D21 62.87 7.48 -9.44 -0.22 0
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162371 57394469 1 OCl2N4C22H24 AB2C4D22E24 0.0 6.36 -9.05 -0.76 0
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162372 57394471 1 SN3O3C26H37 AB3C3D26E37 -121.04 10.14 -8.54 -0.28 0
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162373 57394474 1 NO5C25H25 AB5C25D25 -108.54 5.07 -8.15 -0.36 0
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162374 57394481 1 SN5O5C18H27 AB5C5D18E27 -199.69 9.45 -9.31 -0.49 0
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162375 57394482 1 SN4O4C16H18 AB4C4D16E18 -107.44 7.45 -9.15 -0.64 0
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162376 57394484 1 SN3O5C19H21 AB3C5D19E21 -171.39 5.63 -9.47 -0.71 0
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162377 57394486 1 N2O11C40H50 A2B11C40D50 -404.03 10.84 -8.91 -1.62 0
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162378 57394488 1 F2O3N4H22C26 A2B3C4D22E26 -105.86 10.95 -7.98 -1.23 0
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162379 57394489 1 F2O3N4H14C23 A2B3C4D14E23 -96.46 8.89 -9.01 -1.6 0
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162380 57394500 2 NO2C11H12 AB2C11D12 -109.89 5.45 -8.52 -0.7 0
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162382 57394505 1 ClFN3O6H21C25 ABC3D6E21F25 -206.02 10.02 -8.25 -1.44 0
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162383 57394508 1 ClFSN3O5H17C23 ABCD3E5F17G23 -177.13 13.76 -9.2 -1.63 0
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162384 57394510 1 N2O4C23H36 A2B4C23D36 -184.84 4.55 -8.65 0.05 0
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162385 57394511 1 ClSN2O2C17H17 ABC2D2E17F17 -73.01 6.31 -9.33 -1.26 0
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162386 57394513 1 ON2C21H26 AB2C21D26 23.3 0.69 -8.59 0.7 0
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162388 57394517 1 NSCl2O5C26H27 ABC2D5E26F27 -170.21 4.84 -9.3 -0.98 0
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162389 57394527 1 ClON4C7H9 ABC4D7E9 -27.5 6.99 -10.21 -0.66 0
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162390 57394529 1 SF3O5N6C33H33 AB3C5D6E33F33 -245.36 5.81 -8.62 -0.92 0
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162391 57394533 1 NCl2O2H15C18 AB2C2D15E18 -35.47 6.7 -9.52 -0.92 0
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162392 57394534 1 N3O3H21C25 A3B3C21D25 -10.48 5.4 -9.41 -0.97 0
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162394 57394539 1 ClFO2H14C15 ABC2D14E15 -118.17 4.59 -9.5 -0.92 0
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162395 57394542 1 F2O2H12C15 A2B2C12D15 -140.02 1.14 -9.48 -1.21 0
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162396 57394545 1 N2O2C25H34 A2B2C25D34 -70.78 4.46 -9.94 -1.07 0
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162397 57394546 1 N2O2C21H32 A2B2C21D32 -97.34 6.27 -8.64 -0.44 0
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162399 57394548 1 ClON5C17H18 ABC5D17E18 30.89 3.93 -8.4 -0.85 0
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162400 57394550 1 OSN5C16H19 ABC5D16E19 27.28 2.32 -8.18 -0.58 0
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162401 57394556 1 NF2O3C25H25 AB2C3D25E25 -151.68 2.43 -9.24 -0.95 0
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162403 57394561 1 ClN2O3C29H35 AB2C3D29E35 -99.54 4.83 -8.4 -0.37 0
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162404 57394563 1 ClON4H19C21 ABC4D19E21 53.6 8.66 -9.43 -0.26 0
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162405 57394565 1 Cl3N5O5C33H36 A3B5C5D33E36 -140.12 7.19 -9.32 -0.44 0
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162406 57394566 1 ClN4O6C36H43 AB4C6D36E43 -179.24 2.81 -8.71 -0.47 0
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162408 57394569 1 ClN4O5C34H35 AB4C5D34E35 -110.38 10.89 -9.19 -0.74 0
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162409 57394570 1 F2Cl3O4N5C32H34 A2B3C4D5E32F34 -187.48 7.02 -9.23 -0.43 0
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162410 57394571 1 F3N4O4C31H33 A3B4C4D31E33 -199.88 7.52 -8.94 -0.5 0
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162411 57394577 1 S2N4O4H32C37 A2B4C4D32E37 68.13 6.97 -8.78 -0.79 0
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162412 57394582 1 FO3N4H19C20 AB3C4D19E20 -56.02 3.26 -8.52 -0.71 0
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162413 57394584 3 N3O6C20H27 A3B6C20D27 -781.39 2.25 -9.81 -0.83 0
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162414 57394586 1 NO12C16H27 AB12C16D27 -535.4 5.41 -10.06 -0.42 0