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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15462 442279 1 O3C15H20 A3B15C20 -131.98 6.46 -9.36 -0.41 0
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15463 442280 1 O4C15H18 A4B15C18 -147.66 4.14 -10.28 -0.38 0
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15464 442284 2 O3C10H11 A3B10C11 -202.53 6.79 -10.23 -0.63 0
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15465 442285 1 O5C20H26 A5B20C26 -188.79 8.28 -9.56 -0.31 0
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15466 442301 4 OC4H5 AB4C5 32.3 5.08 -8.92 -0.74 0
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15467 442345 2 NO3C19H21 AB3C19D21 -136.53 3.21 -8.2 -0.02 0
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15468 442368 3 C5H8 A5B8 6.12 1.61 -8.91 0.52 0
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15469 442384 1 OC15H26 AB15C26 -95.87 1.92 -9.63 3.0 0
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15470 442421 1 O5C18H20 A5B18C20 -162.39 7.44 -8.6 -0.57 0
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15471 442424 1 O5C11H14 A5B11C14 -202.22 1.78 -9.81 -0.2 0
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15472 442425 1 O11C17H26 A11B17C26 -496.88 5.37 -10.29 -0.72 0
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15473 442453 1 SP3N7O19C28H44 AB3C7D19E28F44 -991.08 14.01 -8.99 -0.87 0
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15474 442466 1 NO2C16H23 AB2C16D23 -35.97 4.48 -8.61 0.65 0
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15475 442467 1 NO2C16H25 AB2C16D25 -111.21 4.8 -8.78 0.68 0
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15476 442468 1 NO3C16H21 AB3C16D21 -51.18 5.57 -8.9 -0.66 0
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15477 442469 2 O2C5H7 A2B5C7 -180.22 3.67 -10.39 -0.55 0
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15478 442470 2 NOC8H12 ABC8D12 -46.19 6.64 -8.47 -0.02 0
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15479 442471 2 OC5H6 AB5C6 -72.95 3.38 -9.32 -0.1 0
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15480 442475 1 NO2C16H25 AB2C16D25 -117.4 4.35 -8.78 0.84 0
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15481 442478 1 OC10H14 AB10C14 -41.32 1.6 -8.67 0.92 0
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15482 442479 1 ON3C30H49 AB3C30D49 -100.59 3.97 -8.6 1.3 0
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15483 442485 1 NO4C18H29 AB4C18D29 -216.18 2.88 -8.64 0.89 0
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15484 442486 1 NO2C17H25 AB2C17D25 -57.18 5.19 -8.32 0.42 0
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15485 442487 1 NO3C17H25 AB3C17D25 -126.28 4.35 -8.53 0.38 0
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15486 442488 1 NOC16H25 ABC16D25 61.08 5.84 -9.02 0.01 0
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15487 442497 2 OC5H7 AB5C7 -25.0 5.87 -9.54 -0.09 0
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15488 442499 1 NO4C16H25 AB4C16D25 -197.58 3.7 -8.94 0.66 0
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15489 442500 1 NO3C16H25 AB3C16D25 -154.95 3.44 -8.87 0.76 0
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15490 442502 1 O2N3C30H49 A2B3C30D49 -98.0 5.67 -8.47 0.58 0
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15491 442536 1 NO3C10H11 AB3C10D11 -100.91 2.89 -9.09 -0.86 0
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15492 442580 1 N5O6C32H47 A5B6C32D47 -236.57 6.33 -8.86 -0.14 0
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15493 442616 2 O7H11C12 A7B11C12 -522.28 11.46 -8.94 -1.68 0
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15494 442629 1 NO7C12H15 AB7C12D15 -275.8 2.28 -10.52 -1.36 0
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15495 442680 1 O16H38C45 A16B38C45 -552.65 4.73 -8.7 -0.73 0
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15496 442692 2 O11H14C17 A11B14C17 -819.78 4.56 -9.14 -1.11 0
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15497 442719 1 ClNO8C21H30 ABC8D21E30 -347.91 3.4 -9.31 -0.41 0
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15498 442720 1 O6C21H22 A6B21C22 -206.15 3.9 -9.06 -1.87 0
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15499 442721 1 O5C24H38 A5B24C38 -231.76 3.72 -10.09 -1.85 0
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15500 442787 1 O15C29H36 A15B29C36 -606.19 7.8 -8.88 -1.14 0
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15501 442813 1 O9C22H22 A9B22C22 -316.6 4.14 -8.66 -0.88 0
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15502 442814 1 O7H14C20 A7B14C20 -171.33 3.4 -8.54 -0.96 0
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15503 442815 1 PC9O11H19 AB9C11D19 -558.57 2.13 -10.8 0.05 0
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15504 442816 1 NO6C26H29 AB6C26D29 -188.86 7.77 -8.87 -1.32 0
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15505 442826 1 O7H22C23 A7B22C23 -229.6 4.32 -8.26 -0.41 0
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15506 442904 2 O2C5H6 A2B5C6 -148.08 4.39 -9.31 0.0 0
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15507 442934 1 N2O2C11H12 A2B2C11D12 -47.1 1.8 -8.35 -0.31 0
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15508 442967 1 ON2C15H20 AB2C15D20 -39.19 6.61 -8.57 0.13 0
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15509 443038 1 ClN2O4H15C18 AB2C4D15E18 -88.81 9.88 -9.36 -1.29 0
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15510 443077 1 O9C25H32 A9B25C32 -388.2 5.65 -9.07 -0.52 0
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15511 443136 1 OC14H22 AB14C22 -56.44 4.48 -9.46 -0.08 0
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15512 443137 1 PN4C7O7H18 AB4C7D7E18 -361.44 4.81 0.0 0.0 1
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15513 443213 1 O4C9H12 A4B9C12 -163.76 5.44 -9.96 -0.8 0
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15514 443227 1 N2O2C17H18 A2B2C17D18 -59.27 5.43 -8.82 -0.5 0
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15515 443229 1 Cl2F3N3O3H10C13 A2B3C3D3E10F13 -237.49 4.63 -9.35 -1.13 0
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15516 443230 1 S2O4C5H12 A2B4C5D12 -187.4 1.96 -9.29 -0.37 0
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15517 443231 1 S2O4C5H10 A2B4C5D10 -177.57 5.54 -9.25 -0.38 0
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15518 443232 1 S2O4C5H12 A2B4C5D12 -189.36 5.15 -8.96 0.06 0
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15519 443233 1 SC3H6O6 AB3C6D6 -259.72 3.34 -11.39 -0.75 0
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15520 443235 1 O4N5C10H13 A4B5C10D13 -84.99 3.62 -8.56 -0.44 0
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15521 443245 1 OC29H48 AB29C48 -112.75 2.32 -9.01 1.4 0
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15522 443247 1 C6P7H19O27 A6B7C19D27 -1707.26 5.7 -11.24 -0.58 0
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15523 443248 1 O10C11H20 A10B11C20 -449.07 3.73 -10.58 0.43 0
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15524 443249 1 PSC3H7O9 ABC3D7E9 -444.46 2.02 -11.22 -0.76 0
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15525 443251 1 CoN4O16C42H46 AB4C16D42E46 -620.03 43.34 0.0 0.0 1
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15526 443252 2 N2O8C21H24 A2B8C21D24 -684.01 12.41 -8.13 -1.4 0
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15527 443253 1 CoN4O16C43H48 AB4C16D43E48 -651.29 13.36 0.0 0.0 1
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15528 443256 4 NO4C11H13 AB4C11D13 -621.74 11.81 -9.25 -1.72 0
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15529 443257 1 CoN4O16C45H53 AB4C16D45E53 -588.49 23.06 -10.49 -5.2 1
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15530 443259 1 CoN4O16C44H53 AB4C16D44E53 -609.93 39.81 -10.01 -6.12 1
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15531 443260 1 CoN4O16C44H55 AB4C16D44E55 -583.2 31.48 -10.21 -6.21 1
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15532 443325 1 N2O3C21H24 A2B3C21D24 -73.7 3.33 -8.43 -0.31 0
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15533 443342 2 O5C8H12 A5B8C12 -454.39 7.95 -10.09 -0.02 0
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15534 443423 1 N2O3C16H18 A2B3C16D18 -93.28 4.33 -9.46 -0.71 0
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15535 443425 1 MgN4O5H34C35 AB4C5D34E35 -127.99 5.12 -7.48 -1.5 0
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15536 443442 1 MgN4O5C55H70 AB4C5D55E70 -151.08 8.61 -7.79 -1.79 0
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15537 443445 1 ZnC12O14H22 AB12C14D22 -643.78 3.46 -10.38 -1.48 0
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15538 443463 1 O7C19H22 A7B19C22 -281.49 6.4 -10.54 -1.0 0
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15539 443510 1 P2N3O14C16H27 A2B3C14D16E27 -757.12 7.53 -9.43 -0.39 0
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15540 443555 2 O4C17H23 A4B17C23 -314.03 6.21 -9.49 -0.35 0
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15541 443559 1 O11C42H62 A11B42C62 -482.31 6.7 -9.21 0.06 0
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15542 443567 1 NO7C25H43 AB7C25D43 -341.09 7.9 -8.99 0.47 0
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15543 443662 1 NO14C39H63 AB14C39D63 -630.21 6.12 -8.78 0.22 0
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15544 443878 1 NO7C26H37 AB7C26D37 -306.1 2.32 -8.51 -0.41 0
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15545 443935 1 OSC19H30 ABC19D30 -41.21 3.39 -8.8 -0.07 0
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15546 443957 2 O4C15H21 A4B15C21 -360.02 1.91 -9.54 -0.83 0
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15547 443958 1 FO7C28H35 AB7C28D35 -345.28 6.39 -9.75 -0.35 0
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15548 443963 1 ClO5C6H7 AB5C6D7 -222.11 6.29 -11.12 -1.14 0
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15549 443965 1 PN2C4O5H15 AB2C4D5E15 -306.13 6.09 -8.62 0.49 0
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15550 443997 1 ClINC12H19 ABCD12E19 -29.93 5.02 -9.41 -0.96 0
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15551 444004 1 NaPN4O11C17H24 ABC4D11E17F24 -613.07 4.2 -9.34 -1.95 0
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15552 444038 1 NSO4C16H21 ABC4D16E21 -161.37 3.17 -8.57 -0.84 0
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15553 444068 1 NO11C27H33 AB11C27D33 -452.6 8.37 -7.82 -1.16 0
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15554 444126 2 SN2O2C17H19 AB2C2D17E19 -70.92 9.68 -7.97 -1.69 0
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15555 444203 1 N2C11H19 A2B11C19 8.78 0.87 0.0 0.0 1
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15558 444265 1 P2N10O15C27H35 A2B10C15D27E35 -669.91 4.32 0.0 0.0 1
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15559 444266 4 CHO ABC -154.84 5.22 -11.34 -1.65 0
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15560 444271 1 MgN4O6C55H78 AB4C6D55E78 -95.63 7.77 -7.02 -1.96 -2
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15562 444288 1 ON4C6H14 AB4C6D14 -22.31 3.09 -9.45 0.49 0
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15563 444366 1 NSO4C16H23 ABC4D16E23 -183.5 6.53 -9.15 -0.16 0
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15564 444386 1 SN3O8C13H22 AB3C8D13E22 -349.71 4.03 0.0 0.0 1