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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430431 135170495 1 NC11H21 AB11C21 -38.73 1.75 -8.7 3.26 0
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430432 135170496 1 N2O2C15H18 A2B2C15D18 -37.88 4.19 -9.01 0.1 0
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430433 135170497 1 N2F3C8H9 A2B3C8D9 -121.41 4.57 -8.62 -0.44 0
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430434 135170498 1 ClF2N2H5C6 AB2C2D5E6 -76.9 3.54 -10.64 -1.29 0
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430435 135170499 1 NO4C14H23 AB4C14D23 -195.04 5.42 -9.7 -0.68 0
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430436 135170500 1 NO3C8H11 AB3C8D11 -119.52 3.15 -9.83 -0.54 0
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430437 135170501 1 ClF2N2H5C6 AB2C2D5E6 -68.29 3.0 -10.47 -1.49 0
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430438 135170502 1 N2O5C15H22 A2B5C15D22 -167.07 1.77 -9.27 -0.31 0
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430439 135170503 1 N2O5C15H20 A2B5C15D20 -152.01 7.31 -9.64 -1.0 0
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430440 135170504 1 OSN3C7H9 ABC3D7E9 21.97 5.93 -9.79 -1.06 0
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430441 135170505 2 NSC4H4 ABC4D4 60.21 2.88 -8.83 -0.85 0
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430442 135170506 1 SN2C9H12 AB2C9D12 66.53 2.43 -9.43 -0.55 0
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430443 135170507 1 SN2C9H12 AB2C9D12 68.66 2.3 -9.47 -0.54 0
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430444 135170508 1 SN2C7H10 AB2C7D10 45.16 2.29 -9.39 -0.5 0
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430445 135170509 1 FSN2C6H7 ABC2D6E7 10.44 4.07 -9.71 -0.79 0
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430446 135170510 1 SN2O2C5H6 AB2C2D5E6 -32.22 4.44 -10.13 -1.23 0
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430447 135170511 1 OSN3C7H11 ABC3D7E11 -11.86 6.05 -9.84 -0.97 0
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430448 135170512 1 OSN3C6H9 ABC3D6E9 -3.05 5.94 -9.87 -0.99 0
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430449 135170513 1 SN2O2C6H8 AB2C2D6E8 -43.64 3.63 -10.07 -1.04 0
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430450 135170514 1 OSN2C10H10 ABC2D10E10 22.82 3.35 -8.71 -0.68 0
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430451 135170515 1 OSN3C5H7 ABC3D5E7 4.17 6.08 -9.84 -1.02 0
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430452 135170516 1 OSN2C10H10 ABC2D10E10 27.69 3.43 -8.94 -0.73 0
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430453 135170517 1 OSN2C10H10 ABC2D10E10 24.36 2.67 -8.83 -0.88 0
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430454 135170518 1 NO3C11H17 AB3C11D17 -134.24 3.03 -9.78 -0.48 0
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430455 135170519 1 ClN2C8H13 AB2C8D13 0.63 3.37 -9.18 0.51 0
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430456 135170520 1 N2F5C7H7 A2B5C7D7 -225.31 1.55 -9.72 -0.22 0
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430457 135170521 1 N2C9H14 A2B9C14 36.94 2.57 -9.0 0.97 0
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430458 135170522 1 NO3C12H19 AB3C12D19 -139.5 4.21 -9.73 -0.48 0
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430459 135170523 1 ClN2C7H11 AB2C7D11 -1.15 3.74 -9.66 0.61 0
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430460 135170524 1 NO3C10H15 AB3C10D15 -129.56 4.23 -9.76 -0.51 0
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430461 135170525 1 NO4C10H15 AB4C10D15 -160.66 2.4 -9.98 -0.88 0
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430462 135170526 1 ClNF3O3H15C16 ABC3D3E15F16 -264.65 6.64 -9.89 -1.0 0
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430463 135170527 1 ClNO4C7H8 ABC4D7E8 -146.65 3.3 -10.16 -1.31 0
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430464 135170528 1 NO3C12H17 AB3C12D17 -106.96 5.17 -9.7 -0.52 0
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430465 135170529 1 ClSF2N2H3C4 ABC2D2E3F4 -67.08 5.13 -10.28 -1.37 0
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430466 135170530 1 SN2C8H12 AB2C8D12 21.3 2.32 -9.5 -0.49 0
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430467 135170531 1 SN2C7H10 AB2C7D10 38.07 2.39 -9.5 -0.51 0
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430468 135170532 1 NSO3C6H9 ABC3D6E9 -78.54 4.24 -9.26 -1.0 0
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430469 135170533 1 SN2C7H10 AB2C7D10 46.37 2.08 -9.43 -0.52 0
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430470 135170534 1 ClSN2C6H7 ABC2D6E7 48.07 2.44 -9.67 -0.8 0
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430471 135170535 1 N3C13H19 A3B13C19 51.88 1.98 -8.11 0.36 0
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430472 135170536 1 N2F3H11C12 A2B3C11D12 -105.54 6.65 -9.31 0.03 0
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430473 135170537 1 NO3C11H15 AB3C11D15 -101.56 5.14 -9.7 -0.52 0
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430474 135170538 1 NO4C13H21 AB4C13D21 -188.67 5.32 -9.72 -0.7 0
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430475 135170539 1 NO4C14H15 AB4C14D15 -126.55 5.09 -9.62 -1.2 0
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430476 135170540 1 NO3C10H15 AB3C10D15 -129.87 4.69 -9.73 -0.52 0
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430477 135170541 1 NO3C13H21 AB3C13D21 -145.22 5.24 -9.64 -0.45 1
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430478 135170542 1 S2N3O6C38H46 A2B3C6D38E46 -176.24 1.37 0.0 0.0 0
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430479 135170543 1 NO4C10H15 AB4C10D15 -164.87 5.16 -9.85 -0.84 1
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430480 135170544 1 S2N3O6C46H50 A2B3C6D46E50 -133.43 5.24 0.0 0.0 0