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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4465 11447 2 C4H9 A4B9 -45.62 0.11 -10.67 4.16 0
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4466 11449 2 OC4H7 AB4C7 -96.67 0.34 -9.78 -0.78 0
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4467 11450 1 OC10H14 AB10C14 -45.67 2.18 -8.92 0.31 0
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4468 11454 1 BrC8H9 AB8C9 11.74 2.31 -9.54 -0.49 0
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4469 11455 1 OC9H10 AB9C10 -27.49 4.13 -9.57 -0.5 0
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4470 11456 1 BrO2H5C7 AB2C5D7 -55.18 4.94 -10.22 -1.12 0
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4471 11457 1 BrNO2H4C6 ABC2D4E6 22.39 4.55 -10.37 -1.67 0
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4472 11459 1 N2H4O5C6 A2B4C5D6 -23.93 4.71 -10.6 -2.36 0
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4473 11460 1 O2C9H10 A2B9C10 -58.12 1.7 -9.09 -0.6 0
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4474 11465 1 BrNC8H10 ABC8D10 25.02 4.07 -8.33 0.16 0
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4475 11466 1 BrNO2H4C6 ABC2D4E6 21.87 3.79 -10.51 -1.72 0
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4476 11467 1 OC10H18 AB10C18 -78.91 2.39 -8.98 1.45 0
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4477 11469 1 NO4C6H7 AB4C6D7 -46.03 6.0 -10.21 -1.38 0
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4478 11470 1 O3H8C9 A3B8C9 -98.84 3.66 -10.63 -1.41 0
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4479 11471 2 NO2H5C7 AB2C5D7 -66.8 3.66 -9.85 -2.05 0
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4480 11472 1 NOC6H7 ABC6D7 -13.61 1.81 -10.27 -0.35 0
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4481 11473 1 NOH5C6 ABC5D6 47.15 3.26 -9.25 -1.36 0
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4482 11474 1 NOC6H7 ABC6D7 -14.02 3.95 -9.93 -0.42 0
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4483 11476 1 OC8H10 AB8C10 -33.44 2.75 -9.52 0.01 0
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4484 11477 1 ClOH5C7 ABC5D7 -12.08 3.84 -9.88 -1.06 0
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4485 11478 1 O3N4C14H20 A3B4C14D20 -21.0 9.66 -6.2 -1.55 0
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4486 11479 1 NO3C9H11 AB3C9D11 -105.55 3.33 -10.06 -0.37 0
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4487 11480 1 ClON2C9H11 ABC2D9E11 -30.42 6.08 -8.99 -0.12 0
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4488 11481 1 BrN2O2C15H17 AB2C2D15E17 -40.4 6.17 -7.91 -1.32 0
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4489 11483 1 NCl2O2C9H9 AB2C2D9E9 -89.13 2.07 -9.35 -0.42 0
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4490 11484 1 Cl2O3H6C8 A2B3C6D8 -116.12 2.95 -10.06 -0.99 0
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4491 11485 1 ClNOC8H8 ABCD8E8 -29.71 2.63 -9.05 -0.36 0
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4492 11486 1 NSO4C12H13 ABC4D12E13 -124.07 1.58 -8.3 -1.07 0
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4493 11496 1 O3H8C9 A3B8C9 -91.39 4.05 -9.52 -1.1 0
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4494 11497 1 ClO3H7C8 AB3C7D8 -107.28 3.93 -9.77 -0.65 0
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4496 11499 1 N4C6O9H12 A4B6C9D12 -103.92 1.17 -10.01 -1.4 0
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4497 11501 1 NOH11C13 ABC11D13 28.34 2.65 -8.67 -0.65 0
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4498 11502 2 H6C7 A6B7 60.14 0.03 -8.82 -0.38 0
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4499 11503 1 NC9H13 AB9C13 16.98 1.63 -9.02 0.39 0
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4500 11505 1 OC8H10 AB8C10 -33.56 3.09 -9.47 0.07 0
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4501 11506 2 OC4H5 AB4C5 -72.79 0.04 -9.6 -0.09 0
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4502 11507 1 C7H16 A7B16 -40.0 0.11 -10.85 4.18 0
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4503 11508 1 OC6H14 AB6C14 -76.62 2.24 -10.3 2.8 0
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4504 11509 1 OC6H12 AB6C12 -65.85 3.17 -9.96 0.79 0
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4505 11510 1 NC3O3H7 AB3C3D7 -106.49 1.94 -10.28 -0.11 0
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4506 11511 2 C4H9 A4B9 -46.49 0.03 -10.76 4.11 0
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4507 11512 2 C4H9 A4B9 -45.23 0.06 -10.76 4.16 0
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4508 11513 1 OC7H16 AB7C16 -85.55 2.03 -10.29 2.93 0
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4509 11514 1 O2C9H18 A2B9C18 -131.24 2.06 -10.68 0.91 0
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4510 11521 1 NO3C4H9 AB3C4D9 -111.22 1.95 -10.29 -0.13 0
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4511 11526 1 NC7H9 AB7C9 14.08 2.23 -9.35 0.09 0
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4512 11527 1 OC8H18 AB8C18 -87.07 1.93 -10.24 2.94 0
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4513 11530 1 ClO2C6H11 AB2C6D11 -115.52 3.03 -10.89 0.14 0
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4514 11532 1 NO3C6H13 AB3C6D13 -121.11 1.96 -10.29 -0.12 0
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4515 11533 1 BrC3H5 AB3C5 7.55 2.17 -9.8 0.15 0
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4516 11534 1 BrNC2H2 ABC2D2 29.42 3.18 -11.24 -1.2 0
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4517 11535 2 C2H3 A2B3 30.47 0.47 -9.71 1.17 0
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4518 11538 1 CKNO ABCD -46.86 12.91 -8.23 -0.03 0
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4519 11541 1 NOC7H16 ABC7D16 -17.82 2.68 0.0 0.0 1
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4520 11542 1 C7H16 A7B16 -43.12 0.05 -10.92 4.18 0
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4521 11543 1 OC6H14 AB6C14 -83.46 1.94 -10.33 3.0 0
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4522 11548 1 ClN2O2C7H17 AB2C2D7E17 -126.47 7.41 -8.7 0.52 0
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4523 11550 1 OC7H14 AB7C14 -80.88 2.04 -10.23 2.88 0
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4524 11553 1 BrO2C3H5 AB2C3D5 -93.75 3.26 -10.96 -0.6 0
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4525 11555 1 SC4O6N8H14 AB4C6D8E14 -262.2 7.74 -9.88 -0.43 0
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4526 11556 1 OSN2C3H6 ABC2D3E6 -36.59 1.94 -9.83 -0.74 0
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4527 11557 1 NC2H3O4 AB2C3D4 -76.92 3.16 -11.8 -1.56 0
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4528 11558 1 O2C5H6 A2B5C6 -67.9 5.25 -11.0 -0.63 0
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4529 11562 1 BrNC6H6 ABC6D6 22.49 3.05 -8.81 -0.05 0
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4530 11566 1 OC7H14 AB7C14 -78.82 2.25 -10.2 2.84 0
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4531 11567 1 OC7H12 AB7C12 -65.66 3.61 -9.86 0.82 0
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4532 11569 2 OC4H4 AB4C4 -43.25 1.61 -9.16 -0.79 0
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4533 11570 1 NO2C10H13 AB2C10D13 -77.29 3.36 -8.71 0.12 0
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4534 11572 1 C7H12 A7B12 -9.43 0.35 -9.37 1.55 0
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4535 11573 1 C7H12 A7B12 -9.39 0.37 -9.46 1.49 0
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4536 11574 1 C7H12 A7B12 -8.17 0.55 -8.98 1.72 0
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4537 11576 1 O3C8H14 A3B8C14 -155.04 2.8 -10.61 0.24 0
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4538 11577 1 NO2C7H15 AB2C7D15 -118.52 2.37 -9.97 0.8 0
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4539 11578 1 CaO6C10H14 AB6C10D14 -390.44 1.87 -10.19 0.64 0
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4540 11579 1 O3C5H8 A3B5C8 -143.37 6.65 -10.85 -0.18 0
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4541 11582 1 C7H16 A7B16 -41.68 0.08 -10.95 4.1 0
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4542 11585 1 HgK2C4N4 AB2C4D4 -10.86 7.89 -10.14 0.14 0
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4543 11586 1 HgC4N4 AB4C4 152.99 6.29 -11.23 -2.43 -2
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4544 11587 1 C5H8 A5B8 23.57 0.23 -10.07 1.04 0
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4546 11593 1 O3C5H8 A3B5C8 -135.87 2.69 -10.29 0.38 0
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4547 11594 2 C4H9 A4B9 -46.69 0.11 -10.91 4.07 0
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4548 11595 1 ON2C5H12 AB2C5D12 -66.15 3.52 -9.96 1.17 0
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4549 11596 1 NO2C5H11 AB2C5D11 -110.27 2.14 -10.67 0.83 0
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4550 11597 6 CH2 AB2 -8.84 0.59 -10.05 1.3 0
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4551 11598 2 C3H5 A3B5 18.46 0.0 -9.99 1.11 0
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4552 11600 2 C3H5 A3B5 9.04 0.0 -8.79 0.59 0
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4553 11602 2 C3H5 A3B5 14.24 0.79 -9.19 0.4 0
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4554 11603 1 FC5H11 AB5C11 -76.33 1.76 -11.27 3.27 0
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4555 11604 1 NC5H7 AB5C7 33.6 3.53 -10.62 0.73 0
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4556 11605 2 C3H4 A3B4 19.71 0.84 -8.76 0.6 0
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4557 11609 1 NO3C7H15 AB3C7D15 -125.95 2.0 -10.28 -0.15 0
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4558 11610 7 CH2 AB2 -13.85 0.61 -10.05 1.29 0
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4559 11612 7 CH2 AB2 -17.52 0.09 -9.54 1.41 0
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4560 11618 1 OC6H12 AB6C12 -60.91 2.11 -9.47 2.46 0
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4561 11621 8 CH2 AB2 -21.83 0.08 -9.46 1.46 0
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4562 11623 1 FOC12H23 ABC12D23 -140.46 4.47 -10.08 0.72 0
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4563 11624 1 FO2C12H23 AB2C12D23 -187.23 4.58 -11.01 0.55 0
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4564 11627 2 FC4H8 AB4C8 -133.21 2.38 -10.81 3.26 0
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4565 11629 1 FOC8H15 ABC8D15 -112.63 4.01 -10.1 0.41 0
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4566 11631 1 ClFOC8H16 ABCD8E16 -130.19 0.67 -9.91 0.87 0