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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215258 85084442 1 N7O14C34H51 A7B14C34D51 -635.27 7.02 -9.72 -0.72 0
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215259 85084443 1 SO7N9C38H55 AB7C9D38E55 -286.81 7.14 -8.51 0.17 0
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215260 85084445 2 N3O7C18H21 A3B7C18D21 -499.83 11.83 -9.37 -0.98 0
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215261 85084446 1 SN8O13C32H46 AB8C13D32E46 -498.99 10.68 -8.62 -1.05 0
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215262 85084450 1 S2O9N11C31H49 A2B9C11D31E49 -380.44 7.14 -8.92 -0.27 0
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215263 85084451 1 BrSi2O5C41H75 AB2C5D41E75 -448.08 5.3 -8.81 -0.19 0
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215264 85084452 1 F4N4O9C38H52 A4B4C9D38E52 -601.52 4.43 -9.7 -1.03 0
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215265 85084453 1 O17C38H56 A17B38C56 -832.71 7.18 -9.98 0.49 0
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215266 85084454 1 N7O13C36H47 A7B13C36D47 -430.5 5.19 -6.96 -1.76 0
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215267 85084456 1 SN7O9C38H55 AB7C9D38E55 -379.43 8.81 -8.63 -0.16 0
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215268 85084457 1 N2O11C44H54 A2B11C44D54 -422.75 8.39 -9.36 -0.75 0
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215269 85084458 1 O9N10C37H58 A9B10C37D58 -416.18 8.84 -8.76 0.3 0
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215270 85084459 2 N3O3C22H39 A3B3C22D39 -386.67 3.49 -8.55 0.51 0
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215271 85084460 1 NO16C39H49 AB16C39D49 -655.9 2.81 -8.87 -1.85 0
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215272 85084461 1 N3O10C43H69 A3B10C43D69 -485.94 3.94 -8.44 -0.48 0
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215273 85084462 1 ClN6O9C39H57 AB6C9D39E57 -411.44 4.18 -9.17 -0.31 0
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215274 85084463 1 N9O9C38H63 A9B9C38D63 -449.24 8.72 -9.38 -0.03 0
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215275 85084464 1 NO12C43H67 AB12C43D67 -552.36 4.79 -9.38 -0.67 0
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215276 85084465 1 S2N7O9C35H63 A2B7C9D35E63 -340.33 92.32 -7.3 -2.72 0
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215277 85084467 1 S2N4O8C41H50 A2B4C8D41E50 -263.31 2.45 -8.39 -0.87 0
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215278 85084468 1 SiO10C45H62 AB10C45D62 -432.39 1.79 -8.42 -0.54 0
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215279 85084469 1 O11C45H74 A11B45C74 -600.12 9.25 -9.3 -0.63 0
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215280 85084470 1 ZnO2N9H39C44 AB2C9D39E44 306.45 8.04 -9.37 -2.05 0
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215281 85084472 1 FO3Si3C46H87 AB3C3D46E87 -436.91 4.39 -8.8 0.42 0
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215282 85084473 1 NO12C43H69 AB12C43D69 -511.0 6.2 -9.13 -0.22 0
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215283 85084477 1 O17C38H64 A17B38C64 -837.64 3.26 -10.19 0.34 0
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215284 85084478 1 BN2O2C55H61 AB2C2D55E61 132.23 20.02 -5.81 -1.47 0
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215285 85084479 1 NO12C45H47 AB12C45D47 -389.33 3.39 -9.82 -0.72 2
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215286 85084486 1 PtSnCl2N2O4C24H30 ABC2D2E4F24G30 -13.31 16.05 -8.43 -2.31 0
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215287 85084487 1 FSi3O5C44H83 AB3C5D44E83 -493.57 3.43 -8.64 0.64 0
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215288 85084488 1 N7O10C40H57 A7B10C40D57 -465.14 7.28 -9.66 -0.24 0
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215289 85084489 1 O7N11C39H61 A7B11C39D61 -306.84 7.02 -8.89 -0.44 0
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215290 85084490 2 O3N4C22H30 A3B4C22D30 -236.71 4.09 -8.55 -0.1 0
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215291 85084491 1 SiO11C43H76 AB11C43D76 -599.44 3.97 -8.81 0.58 0
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215292 85084494 1 F3S3N8O9H29C30 A3B3C8D9E29F30 -331.56 55.68 -7.07 -2.88 1
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215293 85084495 1 S3O7N8C28H29 A3B7C8D28E29 -122.33 14.76 0.0 0.0 0
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215294 85084496 1 PN6O8C42H51 AB6C8D42E51 -228.84 5.43 -8.87 -0.93 0
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215295 85084498 1 O13C44H62 A13B44C62 -596.65 3.91 -9.24 -0.58 0
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215296 85084499 2 N3O4C22H29 A3B4C22D29 -328.93 2.73 -8.28 -0.4 0
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215297 85084500 1 O13C43H74 A13B43C74 -713.83 2.08 -9.27 0.66 0
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215298 85084501 1 PN2O5C49H71 AB2C5D49E71 -234.06 11.93 -8.67 -0.15 1
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215299 85084502 1 PN2O5C49H72 AB2C5D49E72 -235.06 8.61 0.0 0.0 0
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215300 85084510 1 O11N12C33H60 A11B12C33D60 -526.6 9.73 -9.37 -0.38 0
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215301 85084512 1 PF2N3O11C38H58 AB2C3D11E38F58 -716.36 9.28 -9.35 -0.31 0
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215302 85084513 1 O15C41H70 A15B41C70 -763.5 2.15 -9.96 0.82 0
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215303 85084514 1 O7N12C38H66 A7B12C38D66 -328.75 6.82 -8.85 0.09 0
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215304 85084515 1 O12C45H70 A12B45C70 -570.77 5.01 -8.81 0.32 0
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215305 85084519 1 SO7N8C41H56 AB7C8D41E56 -280.42 6.44 -8.79 -0.57 0
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215306 85084520 1 SO8N10C37H60 AB8C10D37E60 -359.43 5.92 -8.97 0.09 0
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215307 85084524 1 N6O10C43H46 A6B10C43D46 -360.8 9.02 -8.91 -0.69 0
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215308 85084525 1 SSiN2F3O10C38H47 ABC2D3E10F38G47 -588.15 2.34 -8.74 -1.2 0
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215309 85084526 1 SO6N8C43H50 AB6C8D43E50 -176.48 6.83 -8.61 -0.51 0
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215310 85084527 1 O12C45H74 A12B45C74 -626.96 8.5 -9.72 -0.37 0
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215311 85084528 2 N5O8C15H26 A5B8C15D26 -735.32 5.25 -9.76 -0.54 0
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215312 85084529 1 O15C42H64 A15B42C64 -719.4 3.14 -9.72 -0.08 0
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215313 85084530 1 SN8O10C37H60 AB8C10D37E60 -490.59 3.51 -8.53 -0.09 0
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215314 85084532 2 OC29H40 AB29C40 -114.1 5.03 -8.41 0.39 0
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215315 85084533 1 FSN5O8C43H44 ABC5D8E43F44 -252.48 14.58 -8.96 -1.08 0
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215316 85084534 1 O10N11C36H63 A10B11C36D63 -489.26 9.55 -8.88 -0.03 0
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215317 85084535 1 O8N11C39H59 A8B11C39D59 -314.0 5.76 -7.88 -0.07 0
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215318 85084536 1 O6N13C39H63 A6B13C39D63 -239.76 9.46 -9.19 -0.18 0
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215319 85084537 1 NSO8C47H71 ABC8D47E71 -429.95 4.33 -8.62 -0.17 0
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215320 85084539 1 MnCl2O2N6C41H76 AB2C2D6E41F76 -147.42 5.1 0.0 0.0 0
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215321 85084540 1 O2N6C41H76 A2B6C41D76 -177.48 6.45 -8.77 1.31 0
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215322 85084541 3 O5C14H22 A5B14C22 -657.98 6.13 -9.65 -0.9 0
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215323 85084546 1 F3N5O10C39H56 A3B5C10D39E56 -597.08 3.82 -9.29 -0.68 0
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215324 85084547 1 N7O8C44H57 A7B8C44D57 -350.17 6.75 -8.7 -0.26 0
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215325 85084548 1 N3O9C47H61 A3B9C47D61 -327.99 4.75 -9.5 -0.38 0
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215326 85084549 1 N5O6C49H57 A5B6C49D57 -145.28 6.34 -8.21 -0.52 0
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215327 85084553 1 O6N11C42H59 A6B11C42D59 -229.17 8.09 -8.38 0.1 0
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215328 85084554 1 O6N11C42H59 A6B11C42D59 -192.23 7.06 -8.63 -0.19 0
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215329 85084555 1 N6O9C44H58 A6B9C44D58 -361.28 10.68 -9.09 -0.57 0
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215330 85084556 1 O14C43H74 A14B43C74 -715.47 11.87 -9.36 0.77 0
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215331 85084557 1 FS2N11O12C29H38 AB2C11D12E29F38 -365.9 6.3 -9.01 -1.36 0
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215332 85084558 1 SSi2N5O13C33H57 AB2C5D13E33F57 -681.26 6.03 -8.75 -0.67 0