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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379352 134419133 1 F3O3N4H15C16 A3B3C4D15E16 -157.41 7.66 -9.41 -0.82 0
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379353 134419134 1 O4N5C22H25 A4B5C22D25 -102.92 9.31 -9.9 -1.18 0
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379354 134419144 6 NH12C16 AB12C16 382.03 1.98 -8.24 -1.17 0
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379355 134419148 1 FON7C18H18 ABC7D18E18 23.66 5.3 -9.28 -1.08 0
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379356 134419152 1 SO2F4N6H28C31 AB2C4D6E28F31 -141.34 2.75 -8.74 -1.2 0
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379357 134419156 1 NO4C25H39 AB4C25D39 -217.4 3.53 -9.01 0.34 0
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379358 134419163 1 NO4C31H33 AB4C31D33 -13.78 4.02 -8.23 -1.42 0
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379359 134419167 3 OC9H10 AB9C10 -71.34 3.76 -7.88 -0.31 0
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379360 134419169 1 NO3C23H27 AB3C23D27 -60.5 3.76 -8.41 -1.24 0
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379361 134419170 1 NPO2C9H20 ABC2D9E20 -139.61 2.73 -9.37 1.04 0
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379362 134419174 1 N5C19H43 A5B19C43 -11.82 5.15 -8.54 2.69 0
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379363 134419176 1 NC17H31 AB17C31 -45.08 1.39 -8.63 1.62 0
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379364 134419182 1 ON5H75C116 AB5C75D116 500.18 2.01 -7.78 -1.5 0
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379365 134419183 1 NSH41C49 ABC41D49 203.23 3.56 -6.95 -0.42 0
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379366 134419184 1 NOH33C49 ABC33D49 205.41 2.37 -7.84 -0.78 0
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379367 134419186 1 NOH33C49 ABC33D49 209.97 1.97 -8.09 -0.69 0
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379368 134419195 1 NO4C14H29 AB4C14D29 -217.99 2.29 -8.93 0.22 0
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379369 134419196 4 OC3H6 AB3C6 -225.17 2.71 -10.54 0.26 0
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379370 134419204 1 NO4C16H23 AB4C16D23 -180.2 2.08 -9.02 -0.12 1
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379371 134419209 1 NO2C17H32 AB2C17D32 -109.86 2.57 0.0 0.0 2
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379372 134419212 1 N2O3C23H36 A2B3C23D36 -58.41 4.68 -4.77 -0.54 3
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379373 134419214 1 O2N3C30H50 A2B3C30D50 -21.04 7.49 0.0 0.0 0
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379377 134419227 1 NO10C31H41 AB10C31D41 -348.31 2.77 -9.36 -0.49 0
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379379 134419237 2 NOC8H8 ABC8D8 -40.26 2.6 -8.99 -0.74 0
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379380 134419239 1 N4O4C31H42 A4B4C31D42 -131.83 3.16 -8.17 -0.07 0
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379381 134419241 1 N5C55H77 A5B55C77 16.77 3.03 -8.1 -0.28 0
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379382 134419244 2 NOC7H10 ABC7D10 -60.63 1.35 -9.07 0.33 0
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379383 134419247 2 O2H7C9 A2B7C9 13.53 2.91 -9.15 -1.04 0
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379384 134419252 1 IO3C24H27 AB3C24D27 28.76 2.95 -8.65 -1.04 0
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379385 134419254 1 SO2N3C26H33 AB2C3D26E33 -37.7 6.23 -8.65 -0.29 0
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379386 134419260 1 ISO2C3H7 ABC2D3E7 -73.05 5.91 -10.06 -1.42 0
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379387 134419261 1 N4H28C41 A4B28C41 208.73 1.37 -8.38 -1.04 0
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379388 134419262 1 F2N2C11H22 A2B2C11D22 -129.95 2.89 -8.47 2.04 0
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379389 134419264 1 N2O5C22H24 A2B5C22D24 -70.21 4.69 -8.96 -1.55 0
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379390 134419268 1 NC11H21 AB11C21 -8.62 1.88 -9.26 1.03 0
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379391 134419284 1 PH13C18 AB13C18 69.11 1.28 -8.86 -0.45 0
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379392 134419286 2 NH10C11 AB10C11 81.24 1.5 -8.02 0.07 0
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379393 134419287 1 N3C15H17 A3B15C17 56.32 4.33 -9.3 -0.6 0
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379394 134419288 1 N2C17H22 A2B17C22 29.92 3.57 -9.17 0.09 0
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379395 134419294 2 OC8H9 AB8C9 -68.21 2.16 -8.49 0.22 0
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379396 134419304 2 NO3C8H9 AB3C8D9 -228.91 5.27 -10.15 -0.96 0
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379397 134419313 1 N4H12C13 A4B12C13 81.46 6.27 -9.12 -0.75 0
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379399 134419339 1 NO4C14H21 AB4C14D21 -184.61 2.6 -9.01 -0.34 0
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379400 134419341 1 N2O6C19H34 A2B6C19D34 -300.38 5.73 -9.55 -0.24 0
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379401 134419342 1 N4O5C28H54 A4B5C28D54 -294.24 3.01 -8.37 0.78 0
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379402 134419343 1 N3O10C32H45 A3B10C32D45 -408.57 9.55 -9.52 -0.36 0
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379404 134419345 1 N2O11C35H50 A2B11C35D50 -428.55 2.97 -9.1 -0.51 0
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379405 134419348 1 N2F3O10C39H45 A2B3C10D39E45 -514.18 5.93 -9.36 -0.88 0
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379407 134419355 1 OSN4C19H22 ABC4D19E22 38.69 5.11 -9.4 -1.1 0
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379408 134419356 2 NSC3H8 ABC3D8 -8.91 2.69 -8.97 -1.02 0
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379409 134419358 1 N2O2C13H20 A2B2C13D20 -88.39 2.93 -10.13 -0.36 0
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379410 134419359 1 NO2C15H31 AB2C15D31 -161.91 2.42 -9.89 0.89 0
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379411 134419361 1 O2N5C8H17 A2B5C8D17 -41.29 2.04 -9.41 -0.35 0
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379412 134419362 1 FN6C23H23 AB6C23D23 78.52 6.1 -8.51 -0.84 0
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379413 134419364 1 NO2C15H19 AB2C15D19 -77.84 2.45 -10.01 -1.31 0
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379414 134419365 1 NO3C10H19 AB3C10D19 -157.71 2.0 -10.05 -0.21 0
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379415 134419367 1 N2O7C19H32 A2B7C19D32 -311.61 6.81 -9.8 -0.57 0
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379417 134419371 1 ClN2O10C38H45 AB2C10D38E45 -350.54 4.83 -9.35 -0.63 0
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379418 134419377 1 ON5C19H23 AB5C19D23 45.71 7.34 -9.08 -0.69 0
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379419 134419388 1 SO2N4C20H22 AB2C4D20E22 -2.88 3.98 -9.69 -1.35 0
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379420 134419396 2 OSC16H18 ABC16D18 42.09 3.29 -8.26 -1.27 0
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379421 134419397 1 O5C20H24 A5B20C24 -202.16 2.99 -9.26 -0.02 0
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379422 134419401 1 O3C14H22 A3B14C22 -148.84 1.96 -10.15 1.8 0
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379423 134419402 4 OC6H10 AB6C10 -234.25 4.43 -9.94 0.61 0
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379424 134419403 2 O2C9H14 A2B9C14 -210.8 4.13 -10.03 0.62 0
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379425 134419406 1 NO3C11H15 AB3C11D15 -121.3 6.25 -10.73 -1.2 0
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379426 134419407 1 N3O5C13H25 A3B5C13D25 -256.12 7.29 -9.74 0.3 0
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379427 134419409 2 O3C12H22 A3B12C22 -356.15 2.84 -10.01 1.33 0
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379428 134419410 1 O3C12H22 A3B12C22 -169.14 3.42 -9.83 0.13 0
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379429 134419412 1 NO2C11H21 AB2C11D21 -129.5 3.36 -9.49 1.95 0
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379430 134419415 2 NO2C7H11 AB2C7D11 -161.99 2.7 -9.46 -0.17 0
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379431 134419416 2 NOC6H10 ABC6D10 -96.88 2.62 -9.29 0.55 0
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379432 134419423 1 O3C11H20 A3B11C20 -165.23 3.75 -10.21 -0.19 0
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379433 134419432 1 FO4C49H49 AB4C49D49 -137.28 2.56 -8.24 -1.0 0
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379434 134419433 2 FO2H18C20 AB2C18D20 -169.38 4.41 -8.49 -0.7 0
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379435 134419437 1 F3O4H45C52 A3B4C45D52 -194.78 3.26 -8.65 -1.02 0
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379436 134419442 1 F3O4H71C73 A3B4C71D73 -235.14 3.43 -8.1 -0.95 0
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379437 134419479 1 BrO4C51H53 AB4C51D53 -100.2 1.92 -8.22 -0.98 0
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379438 134419480 1 ClO4C49H49 AB4C49D49 -99.34 2.9 -8.27 -1.01 0
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379439 134419487 1 F3O4H59C61 A3B4C59D61 -223.91 2.07 -8.36 -0.83 0
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379440 134419488 1 F3O4H47C61 A3B4C47D61 -172.57 4.4 -8.29 -1.24 0
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379441 134419489 1 O4F5H49C63 A4B5C49D63 -280.64 5.04 -8.31 -1.26 0
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379442 134419492 1 F3O4H63C66 A3B4C63D66 -206.48 5.21 -8.23 -1.04 0
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379443 134419498 1 F3O4H41C46 A3B4C41D46 -231.87 6.18 -8.33 -1.08 0
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379444 134419505 1 O2C15H22 A2B15C22 -104.69 3.9 -9.37 -0.35 0
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379445 134419506 2 NSC4H7 ABC4D7 29.47 4.58 -8.82 -0.86 0
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379446 134419511 1 NO3C25H37 AB3C25D37 -148.75 6.38 -9.1 -0.83 0
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379447 134419522 1 O4S4H38C41 A4B4C38D41 162.94 4.18 -8.28 -1.17 0
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379448 134419524 1 O4C15H20 A4B15C20 -163.26 3.08 -10.27 -1.2 0
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379449 134419526 2 OSC13H19 ABC13D19 -91.4 4.34 -8.72 -0.67 0
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379450 134419533 1 O3N5C21H31 A3B5C21D31 -109.33 2.12 -8.91 -0.36 0
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379451 134419534 1 N8O9C41H58 A8B9C41D58 -389.72 6.88 -8.86 -0.89 0
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379452 134419536 1 OSC13H18 ABC13D18 -47.38 1.57 -8.93 -0.59 0
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379453 134419537 1 OSC15H24 ABC15D24 -70.41 2.56 -8.95 0.17 0
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379454 134419538 1 O2C15H24 A2B15C24 -116.23 2.82 -9.3 0.27 0
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379455 134419539 1 O9N10C32H44 A9B10C32D44 -296.34 7.84 -9.19 -1.51 0
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379456 134419543 2 OSC14H14 ABC14D14 -40.3 3.54 -8.55 -0.97 0
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379457 134419544 1 OSC13H28 ABC13D28 -63.49 3.73 -6.68 1.2 0
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379458 134419545 1 N2C11H18 A2B11C18 -2.3 2.8 -8.58 0.32 0
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379459 134420438 4 OH15C27 AB15C27 339.32 3.44 -8.29 -1.18 0