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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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436354 135199321 1 FN2O6C28H37 AB2C6D28E37 -291.71 3.65 -9.22 -1.04 0
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436355 135199333 1 FN2O6C28H37 AB2C6D28E37 -293.19 6.79 -9.21 -1.02 0
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436356 135199335 1 N2O7C27H34 A2B7C27D34 -269.86 4.83 -9.31 -0.97 0
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436357 135199336 1 NOH17C26 ABC17D26 78.66 2.75 -8.73 -1.08 0
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436358 135199338 1 N2O7C25H32 A2B7C25D32 -261.88 6.36 -8.82 -0.83 0
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436359 135199339 1 ON3H33C49 AB3C33D49 201.12 4.85 -8.36 -1.04 0
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436360 135199341 1 ON3H31C45 AB3C31D45 221.21 3.96 -8.78 -1.17 0
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436361 135199342 1 FNO5C21H32 ABC5D21E32 -296.11 2.3 -8.76 0.0 0
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436362 135199343 1 ON4H40C49 AB4C40D49 194.13 6.19 -8.41 -0.79 0
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436363 135199377 1 FN2O7C25H31 AB2C7D25E31 -303.74 10.77 -8.89 -0.74 0
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436364 135199379 2 NO4C13H17 AB4C13D17 -300.56 4.89 -8.36 -1.04 0
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436365 135199380 1 FNO4C21H32 ABC4D21E32 -269.62 4.47 -9.33 0.07 0
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436366 135199381 1 N2O7C23H28 A2B7C23D28 -243.64 4.92 -8.63 -0.75 0
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436367 135199392 2 NH24C27 AB24C27 151.44 3.87 -7.76 -0.36 0
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436368 135199395 1 FNO5C23H36 ABC5D23E36 -306.53 2.68 -9.01 -0.04 0
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436369 135199410 1 FN2O6C24H29 AB2C6D24E29 -269.08 6.67 -9.06 -1.01 0
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436370 135199426 1 N2O5C23H30 A2B5C23D30 -198.23 1.16 -9.13 -0.92 0
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436371 135199459 1 NO5C22H35 AB5C22D35 -261.16 0.87 -8.46 0.52 0
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436372 135199460 1 NO4C22H35 AB4C22D35 -219.3 4.16 -9.52 0.2 0
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436373 135199461 1 FSN2O5C25H31 ABC2D5E25F31 -225.95 6.76 -8.78 -0.91 0
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436374 135199506 1 FN2O7C29H37 AB2C7D29E37 -325.01 8.55 -8.93 -0.88 0
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436375 135199508 1 FN2O6C23H29 AB2C6D23E29 -277.35 2.13 -8.95 -0.97 0
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436376 135199512 1 N2O7C30H40 A2B7C30D40 -293.7 3.01 -8.76 -0.75 0
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436377 135199515 1 FN2O7C30H41 AB2C7D30E41 -330.9 2.63 -9.26 -0.95 0
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436378 135199566 1 ClNO3C17H20 ABC3D17E20 -36.49 5.95 -9.6 -0.3 0
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436379 135199582 1 N4O5C32H36 A4B5C32D36 -135.46 3.04 -8.43 -1.02 0
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436380 135199594 1 N2O3H24C25 A2B3C24D25 -46.51 5.71 -8.38 -0.4 0
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436381 135199611 1 N3O4C22H27 A3B4C22D27 -139.22 8.85 -9.31 -0.11 0
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436382 135199624 1 SN5O8C44H65 AB5C8D44E65 -363.02 4.62 -8.37 -0.37 0
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436383 135199628 1 Cl2O7H16C23 A2B7C16D23 -209.01 7.85 -8.74 -1.01 0
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436384 135199638 2 NO3C9H17 AB3C9D17 -305.96 4.66 -9.79 0.87 0
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436385 135199656 1 N2O3H22C24 A2B3C22D24 -65.44 5.26 -8.75 -0.48 0
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436386 135199657 1 Cl2O7H20C25 A2B7C20D25 -219.13 7.98 -8.73 -0.94 0
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436387 135199658 1 F6N7O9C61H61 A6B7C9D61E61 -585.41 6.48 -8.57 -1.46 0
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436388 135199683 2 NH11C16 AB11C16 168.32 3.85 -8.18 -0.95 0
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436389 135199696 1 N7O7C55H59 A7B7C55D59 -198.97 6.83 -8.51 -1.0 0
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436390 135199699 1 SN5O9C42H61 AB5C9D42E61 -375.32 5.56 -8.38 -0.44 0
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436391 135199703 1 SF4N4O5C39H44 AB4C4D5E39F44 -340.43 4.62 -8.41 -1.18 0
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436392 135199747 1 N4O7C21H34 A4B7C21D34 -294.13 7.97 -9.82 -1.71 0
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436393 135199752 1 Cl2N5O11C59H63 A2B5C11D59E63 -366.75 3.86 -8.55 -1.36 0
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436394 135199823 1 O6N7C25H31 A6B7C25D31 -164.67 3.23 -9.26 -1.66 0
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436395 135199824 1 PO5N7C43H46 AB5C7D43E46 -107.22 6.5 -8.72 -0.67 0
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436396 135199825 1 N5O8C26H41 A5B8C26D41 -392.63 1.61 -8.99 -0.83 0
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436397 135199851 1 N6O7C32H48 A6B7C32D48 -314.89 2.71 -9.06 -0.91 0
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436398 135199858 1 N2S3O4C8H16 A2B3C4D8E16 -181.49 1.1 -9.76 -2.27 0
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436399 135199859 1 N2O9C22H38 A2B9C22D38 -471.38 5.45 -10.28 -0.24 0
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436400 135199861 1 N2O7C13H22 A2B7C13D22 -349.46 4.53 -10.11 0.07 0
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436401 135199877 1 N8O11C33H42 A8B11C33D42 -422.34 5.49 -9.96 -1.82 0
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436402 135199924 1 OSN2C17H24 ABC2D17E24 -25.74 3.38 -8.68 0.13 0
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436403 135199938 1 N3C13H23 A3B13C23 24.07 2.62 -9.1 0.8 0
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436404 135199989 1 SN2O2H18C24 AB2C2D18E24 45.43 7.53 -9.06 -1.08 0
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436405 135200078 1 OSF2N2C13H18 ABC2D2E13F18 -113.31 3.71 -8.41 -0.66 0
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436406 135200340 1 ClOS2N3H10C11 ABC2D3E10F11 21.21 4.87 -8.76 -0.79 0
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436407 135200342 1 ClNSO4H24C25 ABCD4E24F25 -142.31 7.48 -9.09 -1.17 0
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436408 135200343 1 ClNS2O4C24H24 ABC2D4E24F24 -134.9 3.3 -8.95 -1.27 0
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436409 135200491 1 ClON5C11H12 ABC5D11E12 120.11 2.2 -8.56 -1.46 0
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436410 135200492 1 N3O4C26H33 A3B4C26D33 -131.81 4.57 -8.95 -0.53 0
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436411 135200493 1 ClF2O2N6H25C27 AB2C2D6E25F27 -75.34 5.4 -8.7 -1.14 0
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436412 135200494 1 FCl2O4N6H19C23 AB2C4D6E19F23 -75.42 8.88 -10.39 -1.62 0
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436413 135200496 1 ClSO2N9C31H34 ABC2D9E31F34 112.24 6.58 -7.49 -0.88 1
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436414 135200559 1 Cl2F2O3N9H24C28 A2B2C3D9E24F28 -7.41 10.26 0.0 0.0 0
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436415 135200651 1 SN2O2C23H26 AB2C2D23E26 -45.62 3.23 -8.58 -0.99 0
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436416 135200652 1 O3N4C9H18 A3B4C9D18 -72.5 0.97 -9.13 -0.2 0
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436417 135200656 1 F2O3N5C19H21 A2B3C5D19E21 -132.62 3.58 -8.58 -0.43 0
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436418 135200714 1 ON2C11H24 AB2C11D24 -81.09 3.59 -8.74 1.22 0
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436419 135200811 1 FNO4C24H36 ABC4D24E36 -251.72 2.97 -9.33 0.08 0
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436420 135200847 2 ON2C11H20 AB2C11D20 -99.21 3.89 -8.8 0.12 0
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436421 135201328 1 BrON3H16C17 ABC3D16E17 29.98 2.39 -8.62 -0.94 0
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436422 135201329 1 BrClNOSH5C8 ABCDEF5G8 2.66 5.09 -9.05 -1.17 0
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436423 135201331 1 ClNF2H6C8 ABC2D6E8 -63.02 4.01 -8.92 -0.62 0
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436424 135202258 1 N3O10C34H41 A3B10C34D41 -412.0 8.74 -9.15 -0.7 0
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436425 135202589 1 F2O2N7C28H31 A2B2C7D28E31 -86.36 5.9 -8.71 -0.98 0
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436426 135202593 1 FON7C26H28 ABC7D26E28 57.41 6.68 -8.65 -0.9 0
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436427 135202602 1 FN9C31H36 AB9C31D36 110.65 4.36 -8.56 -0.78 0
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436428 135202643 1 FON7C25H26 ABC7D25E26 49.46 4.68 -8.66 -0.9 0