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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47322 10531534 2 O3C19H21 A3B19C21 -171.98 2.27 -9.24 0.3 0
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47323 10531549 1 N5O5C34H37 A5B5C34D37 -121.62 1.1 -8.21 -1.16 0
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47324 10531559 1 N2P2O12C23H38 A2B2C12D23E38 -672.47 8.54 -9.47 -0.77 0
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47325 10531574 1 SN2O4C35H52 AB2C4D35E52 -199.61 5.74 -8.86 -0.09 1
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47326 10531578 1 N4O5C32H41 A4B5C32D41 -153.11 7.84 0.0 0.0 0
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47327 10531583 1 F3N5O6C28H38 A3B5C6D28E38 -420.43 2.92 -9.48 -1.4 0
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47329 10531618 1 NO11C31H37 AB11C31D37 -397.34 7.84 -8.53 -0.39 0
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47330 10531620 1 MnO2N3C36H40 AB2C3D36E40 119.53 7.4 -6.59 -0.64 0
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47331 10531634 1 F2N4O5C32H42 A2B4C5D32E42 -295.08 6.38 -8.97 -0.31 0
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47332 10531645 1 SO5C36H56 AB5C36D56 -218.9 5.4 -10.01 -0.38 0
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47333 10531647 1 SSiO7C31H56 ABC7D31E56 -393.98 2.19 -8.9 0.14 0
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47334 10531652 1 INO5C29H32 ABC5D29E32 -134.85 3.82 -9.41 -1.18 0
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47335 10531657 1 SN3O9C29H35 AB3C9D29E35 -337.36 1.91 -8.62 -0.31 0
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47336 10531658 1 ClSnO3N6C24H27 ABC3D6E24F27 13.83 8.25 -8.43 -0.58 0
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47337 10531663 1 F3N3O3C34H46 A3B3C3D34E46 -275.92 6.66 -8.93 -0.82 0
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47338 10531664 1 SO4N5C33H39 AB4C5D33E39 -111.09 8.31 -8.68 -1.41 0
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47339 10531666 1 ClSO2N5C33H36 ABC2D5E33F36 -3.63 8.17 -8.26 -0.1 0
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47340 10531668 1 Cl2N3O5C31H37 A2B3C5D31E37 -214.19 7.89 -9.2 -0.92 0
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47341 10531671 1 S2O7N10C22H22 A2B7C10D22E22 -62.25 10.02 -8.51 -1.61 1
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47342 10531672 1 S2O7N10C22H23 A2B7C10D22E23 -83.62 3.81 0.0 0.0 0
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47343 10531674 1 O9C35H38 A9B35C38 -252.66 1.26 -8.41 -0.21 0
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47344 10531686 1 NO3Br4C17H17 AB3C4D17E17 -83.63 6.67 -8.79 -1.02 0
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47346 10531706 1 NSiO4C36H65 ABC4D36E65 -223.92 2.89 -8.53 -0.06 0
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47347 10531709 1 ClN5O5C31H46 AB5C5D31E46 -259.22 6.05 -8.74 -0.36 0
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47349 10531727 1 S2N4O10C23H48 A2B4C10D23E48 -497.21 4.72 -8.6 -0.28 0
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47350 10531747 1 SO14C26H38 AB14C26D38 -640.23 2.94 -8.88 0.22 0
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47351 10531759 1 PN5O16C18H34 AB5C16D18E34 -789.57 14.33 -9.19 -0.01 0
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47352 10531800 1 OF2N2H36C41 AB2C2D36E41 -26.84 3.54 -9.11 -0.68 0
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47353 10531814 1 S2N5O6C29H33 A2B5C6D29E33 -91.11 2.27 -9.17 -1.75 0
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47354 10531825 2 NOC21H24 ABC21D24 4.3 6.05 -8.89 -0.28 0
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47355 10531828 1 ClN4O7H25C32 AB4C7D25E32 -139.53 9.4 -9.97 -1.28 0
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47356 10531837 1 N7O12C23H47 A7B12C23D47 -544.02 2.65 -9.54 0.55 0
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47357 10531843 1 ClPN3O7C30H33 ABC3D7E30F33 -279.96 2.07 -8.94 -0.5 0
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47358 10531848 2 NO5C16H21 AB5C16D21 -421.46 5.29 -9.7 -0.34 0
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47359 10531853 1 SiO6C37H46 AB6C37D46 -238.14 3.31 -9.06 0.0 0
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47360 10531854 1 NiSN6H32C34 ABC6D32E34 422.32 7.4 -8.37 -1.96 0
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47361 10531859 1 F3N5O6C29H44 A3B5C6D29E44 -471.36 12.2 -9.51 -0.49 0
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47362 10531860 1 NSSiO7C32H45 ABCD7E32F45 -299.56 7.14 -8.91 -0.75 0
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47363 10531885 1 ClSnS2O4C24H47 ABC2D4E24F47 -312.2 4.96 -9.57 -1.94 0
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47364 10531905 1 SSiO6C35H42 ABC6D35E42 -221.95 8.44 -8.82 -0.83 0
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47365 10531909 1 BrO11H27C28 AB11C27D28 -329.35 4.69 -8.47 -0.94 0
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47366 10531921 1 N2O8C35H44 A2B8C35D44 -325.39 3.08 -8.41 0.0 1
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47367 10531939 1 SN3O4C19H28 AB3C4D19E28 -169.28 4.47 0.0 0.0 0
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47368 10531947 1 N5O6C34H47 A5B6C34D47 -247.79 10.8 -8.72 -0.58 0
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47369 10531957 1 O5N6C34H50 A5B6C34D50 -225.26 8.22 -9.19 -0.99 0
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47370 10531961 1 O7C37H66 A7B37C66 -418.32 8.17 -9.73 -0.6 0
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47371 10531964 1 Si2O4C37H58 A2B4C37D58 -246.72 2.35 -8.96 0.05 0
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47372 10531978 1 F3N4O9C27H43 A3B4C9D27E43 -631.15 12.6 -10.1 -0.11 0
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47373 10531988 1 O7C37H68 A7B37C68 -438.43 4.69 -9.86 -0.73 2
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47374 10532008 1 FeS8C24H26 AB8C24D26 230.14 12.36 -6.29 -1.19 0
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47375 10532014 1 IN3O3C31H38 AB3C3D31E38 36.36 58.13 -5.28 -2.58 0
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47376 10532025 1 F3N4O8H27C30 A3B4C8D27E30 -373.4 11.87 -9.01 -1.59 0
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47377 10532046 1 O4N5C38H39 A4B5C38D39 -80.17 8.88 -8.62 -0.63 0
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47378 10532068 1 H13C23 A13B23 160.14 0.91 0.0 0.0 0
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47379 10532080 1 NO4C42H49 AB4C42D49 -166.99 2.11 -9.12 -2.45 0
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47380 10532089 1 O12C33H44 A12B33C44 -439.47 2.32 -9.56 -0.16 0
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47381 10532096 1 N4O7C34H56 A4B7C34D56 -382.44 7.59 -9.58 -0.57 0
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47382 10532102 1 N2O8H34C37 A2B8C34D37 -216.94 4.12 -8.86 -0.76 0
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47383 10532104 1 SN2O9C33H34 AB2C9D33E34 -317.03 3.48 -9.12 -0.39 0
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47384 10532135 1 N4O6C37H40 A4B6C37D40 -102.64 3.03 -7.58 -1.48 0
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47385 10532147 1 N3O8C35H47 A3B8C35D47 -349.48 7.31 -9.44 -0.07 0
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47386 10532148 1 N5O5C37H43 A5B5C37D43 -166.38 5.19 -8.69 -0.24 0
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47387 10532152 1 NO11C32H63 AB11C32D63 -518.08 5.49 -8.23 -1.14 0
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47388 10532192 1 Br2N4H30C33 A2B4C30D33 89.26 4.41 -7.77 -1.13 0
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47389 10532214 1 O4N11C30H65 A4B11C30D65 -189.59 13.12 -8.76 0.27 0
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47390 10532224 1 ClSN6O7C29H33 ABC6D7E29F33 -41.0 19.7 -8.92 -2.38 0
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47391 10532227 1 PS2N3O8C28H44 AB2C3D8E28F44 -388.69 10.06 -8.98 -0.53 0
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47392 10532228 1 O6N9C31H51 A6B9C31D51 -274.69 3.7 -9.36 0.22 0
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47393 10532273 1 O7N9C30H51 A7B9C30D51 -328.83 5.21 -9.36 -0.02 0
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47394 10532279 2 O10C12H21 A10B12C21 -904.01 3.93 -10.33 0.52 0
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47395 10532294 1 N5O7C36H37 A5B7C36D37 -187.36 8.28 -8.7 -0.5 0
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47396 10532296 1 N7O8C31H53 A7B8C31D53 -343.74 8.71 -9.66 -1.05 0
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47397 10532316 1 O3C45H64 A3B45C64 -149.04 5.57 -9.15 -0.58 0
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47398 10532352 1 SCl2N2O5C34H38 AB2C2D5E34F38 -173.0 7.73 -8.98 -1.16 0
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47399 10532386 1 N4O5C40H44 A4B5C40D44 -125.69 4.54 -9.38 -0.32 0
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47400 10532391 1 N3O10C34H51 A3B10C34D51 -390.13 7.55 -8.66 -0.08 0
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47401 10532396 1 ClN3O6C37H44 AB3C6D37E44 -169.24 12.98 -9.07 -0.94 0
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47402 10532398 1 SN2O4H11C17F17 AB2C4D11E17F17 -932.47 6.2 -9.97 -1.42 0
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47403 10532403 1 O10H34C39 A10B34C39 -282.16 2.36 -8.73 -0.67 0
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47404 10532407 1 N8O8C31H50 A8B8C31D50 -353.43 4.53 -9.44 -0.26 0
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47405 10532425 2 Cl2N2C17H29 A2B2C17D29 58.92 53.17 -5.29 -2.91 0
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47406 10532427 1 N2O4F6C35H38 A2B4C6D35E38 -460.41 7.52 -9.57 -1.18 0
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47407 10532434 3 IC7H11 AB7C11 -11.7 0.3 -9.27 -1.14 0
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47408 10532435 1 SO2H6C18F20 AB2C6D18E20 -981.95 3.99 -9.53 -1.81 0
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47409 10532440 1 FPO11C33H44 ABC11D33E44 -597.31 5.37 -9.39 -0.11 0
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47410 10532444 1 N4O7C28H48 A4B7C28D48 -365.64 7.95 -8.59 -0.12 0
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47411 10532460 1 S2N6O8C29H44 A2B6C8D29E44 -352.24 5.17 -9.36 -0.46 0
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47412 10532462 1 ClN2O6C39H41 AB2C6D39E41 -194.75 3.52 -9.15 -0.54 0
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47413 10532466 1 NO7H39C42 AB7C39D42 -151.44 3.83 -9.23 -1.48 0
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47414 10532467 1 PN5O8C32H56 AB5C8D32E56 -406.29 3.01 -9.83 -0.69 0
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47415 10532479 1 O2N5C33H45 A2B5C33D45 -50.34 2.08 -8.51 -1.09 1
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47416 10532484 1 FS4O8N9H19C21 AB4C8D9E19F21 -113.88 4.32 0.0 0.0 0
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47417 10532488 1 N3O9C37H41 A3B9C37D41 -320.93 7.53 -9.42 -0.81 0
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47418 10532494 1 SN2O4H12C14 AB2C4D12E14 -86.59 2.31 -9.01 -1.28 0
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47419 10532496 2 N2F5H9C17 A2B5C9D17 -217.94 6.25 -8.04 -1.69 1
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47420 10532502 1 SiN2O6C29H45 AB2C6D29E45 -242.54 5.55 0.0 0.0 0
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47421 10532503 2 N3O5C16H22 A3B5C16D22 -459.41 5.4 -8.46 -0.48 0
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47422 10532523 1 F2N5O8H31C34 A2B5C8D31E34 -331.83 4.52 -9.02 -1.11 0
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47423 10532529 1 NaN2S2O4H29C39 AB2C2D4E29F39 -20.24 11.98 -8.32 -0.99 0
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47424 10532563 1 N5O5C40H49 A5B5C40D49 -146.78 8.45 -7.95 -1.76 0