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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53482 14716308 1 ClO4C32H37 AB4C32D37 -145.23 8.49 -9.02 -1.07 0
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53483 14716309 1 O4C33H40 A4B33C40 -146.88 7.38 -8.97 -0.93 0
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53484 14716314 1 O5C36H46 A5B36C46 -204.76 8.82 -9.01 -1.1 0
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53485 14716319 2 O2C18H19 A2B18C19 -97.62 6.98 -8.94 -0.92 0
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53486 14716341 1 ON2H8C13 AB2C8D13 97.78 2.64 -9.62 -2.79 0
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53487 14716342 1 Cl2O5N6H28C47 A2B5C6D28E47 55.5 5.4 -8.74 -2.14 0
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53489 14716352 1 NaSO7C24H41 ABC7D24E41 -375.8 10.17 -8.77 0.14 0
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53490 14716356 1 NaSO6C20H33 ABC6D20E33 -339.39 8.37 -9.38 -0.16 0
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53491 14716357 1 SO6C20H34 AB6C20D34 -273.43 3.08 -9.01 -1.15 0
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53492 14716362 1 N3C44H79 A3B44C79 -80.9 4.69 -9.0 -0.83 0
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53494 14716367 1 ClSN3O3C11H14 ABC3D3E11F14 -87.06 3.65 -9.33 -1.27 0
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53495 14716368 1 N3C15H17 A3B15C17 95.37 4.52 -9.04 -0.77 0
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53496 14716369 1 SN3O3C22H25 AB3C3D22E25 2.65 7.99 -8.99 -0.78 0
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53497 14716373 1 NSO4C7H13 ABC4D7E13 -183.26 4.37 -9.45 -0.06 0
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53498 14716374 1 SN2O3C8H16 AB2C3D8E16 -141.47 4.71 -9.12 0.0 0
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53499 14716375 1 SN2O4C6H10 AB2C4D6E10 -181.2 6.77 -9.45 -0.07 0
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53500 14716379 1 SN2O3C10H12 AB2C3D10E12 -108.32 2.89 -8.97 -0.16 0
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53501 14716380 1 NSF3O3H10C11 ABC3D3E10F11 -265.68 2.9 -9.77 -1.38 0
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53502 14716381 1 NSO4C11H13 ABC4D11E13 -157.43 4.7 -9.49 -0.48 0
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53503 14716385 1 ClN3O3C35H38 AB3C3D35E38 -22.22 5.46 -7.88 -0.66 0
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53504 14716386 1 O2N3C34H37 A2B3C34D37 15.1 5.12 -8.03 -0.29 0
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53505 14716387 1 ClO2N3C33H34 AB2C3D33E34 18.05 2.51 -8.1 -0.65 0
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53506 14716391 2 NO2H16C17 AB2C16D17 -69.18 5.61 -8.39 -0.7 0
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53507 14716392 1 N2O5H32C34 A2B5C32D34 -107.2 10.85 -8.46 -0.78 0
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53508 14716393 1 ClSN2O4H7C11 ABC2D4E7F11 -62.64 4.86 -9.32 -1.87 0
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53509 14716395 1 S3N6O16H28C46 A3B6C16D28E46 -184.74 2.99 -9.04 -1.8 3
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53510 14716408 1 Br3S3N6O13H22C43 A3B3C6D13E22F43 -169.91 9.08 0.0 0.0 0
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53511 14716409 1 S6N9O19H37C49 A6B9C19D37E49 -329.42 6.65 -8.96 -1.97 1
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53512 14716412 1 SN2O4C9H13 AB2C4D9E13 -143.38 5.63 0.0 0.0 0
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53513 14716420 1 O2H3N3C10 A2B3C3D10 38.36 3.67 -10.29 -2.46 0
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53514 14716422 1 BrC13H15 AB13C15 54.55 1.9 -9.06 -0.26 0
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53515 14716424 1 FC27H29 AB27C29 -2.17 2.25 -9.02 -0.04 0
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53516 14716425 1 FC27H27 AB27C27 34.24 2.55 -8.85 -0.3 0
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53517 14716428 2 SO4C11H13 AB4C11D13 -263.25 6.99 -9.36 -0.97 0
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53518 14716429 1 N3O5C42H51 A3B5C42D51 -145.4 4.03 -8.32 -1.02 0
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53519 14716430 1 N4O8C35H42 A4B8C35D42 -196.05 9.62 -9.47 -1.62 0
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53520 14716432 1 N2O5C13H22 A2B5C13D22 -210.55 4.64 -8.82 -0.46 0
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53521 14716433 1 SiCl3C18H25 AB3C18D25 -96.38 1.78 -9.89 -0.68 0
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53522 14716437 1 ClON3C20H26 ABC3D20E26 -2.05 2.55 -8.44 -0.46 0
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53523 14716438 1 ClON3C17H20 ABC3D17E20 12.8 2.58 -8.45 -0.47 0
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53524 14716439 1 NOS2C8H11 ABC2D8E11 -27.35 4.31 -9.19 -0.96 0
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53525 14716440 1 NOS2C9H13 ABC2D9E13 -34.53 1.71 -9.08 -0.99 0
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53526 14716441 1 NOS2C6H9 ABC2D6E9 -27.99 1.56 -9.12 -1.04 0
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53527 14716445 1 SN3C9H17 AB3C9D17 8.95 5.02 -8.56 -0.16 0
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53528 14716451 1 N3O3C17H17 A3B3C17D17 -52.64 5.6 -8.5 -0.62 0
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53529 14716471 1 O2N4C23H26 A2B4C23D26 58.13 11.63 -8.07 -1.52 0
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53530 14716472 1 O3N4C23H26 A3B4C23D26 27.88 14.2 -8.14 -1.41 2
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53531 14716478 2 N2O3C9H12 A2B3C9D12 -96.42 3.63 -9.84 -1.27 0
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53532 14716493 2 N4H33C34 A4B33C34 269.18 6.91 -7.54 -2.04 0
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53533 14716497 2 NC12H15 AB12C15 38.9 7.08 -9.32 -1.5 0
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53534 14716499 1 ON2C20H22 AB2C20D22 28.54 6.55 -9.24 -1.62 0
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53535 14716504 1 N2O2C33H36 A2B2C33D36 -4.18 3.21 -8.22 0.07 0
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53536 14716508 1 O2F3C5H7 A2B3C5D7 -236.43 2.27 -11.46 -0.01 0
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53537 14716512 1 ClFN2O3H10C16 ABC2D3E10F16 -109.63 9.31 -9.1 -1.32 0
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53538 14716526 2 OSC15H27 ABC15D27 -172.61 3.01 -8.03 -0.49 0
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53539 14716528 2 OC14H21 AB14C21 -119.35 0.9 -8.41 -0.32 0
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53540 14716536 1 SO3N4H34C38 AB3C4D34E38 114.94 12.93 -8.36 -2.2 0
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53542 14716555 2 SN3C16H16 AB3C16D16 169.83 5.81 -8.25 -0.62 0
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53544 14716571 1 SeN2O5H18C21 AB2C5D18E21 -50.81 7.16 -8.63 -1.26 0
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53545 14716575 1 SeN2O5H20C22 AB2C5D20E22 -61.87 8.32 -8.52 -1.24 0
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53546 14716580 1 ClNSO4H18C19 ABCD4E18F19 92.55 12.29 -8.36 -3.27 0
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53547 14716582 1 ClNSO4H22C23 ABCD4E22F23 118.21 13.41 -8.2 -3.3 0
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53548 14716583 1 ClSN2O4C33H33 ABC2D4E33F33 152.55 14.6 -8.16 -2.98 0
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53549 14716585 1 N6C31H32 A6B31C32 186.07 3.31 -8.89 -1.58 0
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53550 14716586 2 NO3C28H29 AB3C28D29 -184.4 8.48 -8.72 -2.09 0
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53551 14716592 2 S4H5C8 A4B5C8 160.81 1.3 -7.95 -0.22 0
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53552 14716597 1 NO2H13C18 AB2C13D18 -4.81 1.69 -9.59 -1.37 0
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53553 14716613 1 OCl3C8F13 AB3C8D13 -703.12 0.66 -11.63 -1.75 0
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53554 14716617 1 Cl2O2H3C9F13 A2B2C3D9E13 -740.91 2.56 -11.43 -1.13 0
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53555 14716622 1 OCl3C14F25 AB3C14D25 -1285.31 0.87 -11.63 -1.73 0
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53556 14716626 2 NO2C15H19 AB2C15D19 -110.42 3.14 -9.76 -0.68 0
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53557 14716629 2 NO2C11H11 AB2C11D11 -69.13 3.18 -9.88 -1.5 0
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53558 14716635 3 FH3C5 AB3C5 -95.49 3.76 -8.86 -1.54 0
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53559 14716637 1 O2H20C21 A2B20C21 71.9 2.62 -8.62 0.26 0
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53560 14716643 1 NO2H11C12 AB2C11D12 -45.2 5.69 -8.74 -0.57 0