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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226465 87457431 1 N2S2O5C14H14 A2B2C5D14E14 -45.91 1.65 -9.14 -1.67 0
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226466 87457439 1 NOSC13H13 ABCD13E13 16.04 4.59 -8.38 -1.4 0
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226467 87457442 1 Cl3N10H11C12 A3B10C11D12 137.99 9.12 -7.38 -1.28 0
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226468 87457443 1 ClSF3N3O4H17C22 ABC3D3E4F17G22 -250.93 11.19 -9.85 -1.41 0
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226469 87457446 1 SF3N3O5H18C23 AB3C3D5E18F23 -241.33 7.83 -9.71 -1.36 0
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226470 87457447 1 ClFeON2C12H23 ABCD2E12F23 81.99 23.57 -7.2 -2.03 0
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226471 87457448 1 O2F3N3C22H26 A2B3C3D22E26 -224.66 5.03 -8.94 -0.34 0
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226472 87457449 1 BrSF3N3O4H13C17 ABC3D3E4F13G17 -259.73 10.3 -10.26 -1.28 0
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226473 87457450 1 SO4C8H14 AB4C8D14 -177.25 3.36 -9.23 -0.69 0
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226474 87457451 1 SO4C8H14 AB4C8D14 -178.92 4.73 -9.41 -0.94 1
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226475 87457457 1 PC5O7H14 AB5C7D14 -325.78 9.66 0.0 0.0 0
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226476 87457458 1 SN3F9O9H20C26 AB3C9D9E20F26 -764.1 11.32 -10.02 -1.44 0
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226477 87457459 1 SN3F9O9H20C26 AB3C9D9E20F26 -761.93 14.35 -10.04 -1.98 0
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226478 87457460 1 ClO4C5H11 AB4C5D11 -11.56 4.83 -12.31 -4.71 0
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226479 87457461 1 N2O5F6H30C32 A2B5C6D30E32 -475.43 6.53 -8.81 -1.08 -2
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226481 87457469 1 N2O3F6H22C24 A2B3C6D22E24 -380.51 4.67 -9.8 -1.23 0
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226482 87457470 1 SN3C10H17 AB3C10D17 44.5 8.79 -9.28 -0.31 0
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226483 87457471 1 SN3C10H17 AB3C10D17 29.65 9.4 -8.9 0.13 0
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226484 87457478 1 ClFeON2C14H27 ABCD2E14F27 59.25 58.26 -5.7 -3.37 0
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226485 87457480 1 ClSO2F4N4H11C13 ABC2D4E4F11G13 -191.4 6.0 -9.91 -1.71 0
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226486 87457482 1 CaO6C8H18 AB6C8D18 -368.98 6.42 -9.69 0.72 0
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226487 87457493 1 ClSO2N5C25H28 ABC2D5E25F28 -7.8 5.49 -8.54 -1.31 0
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226488 87457533 1 SN2O2C14H20 AB2C2D14E20 -15.82 4.68 -8.28 -0.59 0
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226489 87457534 1 O4H8C9 A4B8C9 -56.16 1.88 -11.32 -1.42 0
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226490 87457537 1 PO3C42H79 AB3C42D79 -330.53 4.57 -9.93 -0.19 0
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226491 87457539 1 BrS2O3N6C22H25 AB2C3D6E22F25 -20.42 6.87 -8.43 -0.9 0
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226492 87457551 1 SN2O4F5C13H21 AB2C4D5E13F21 -420.61 19.36 -9.74 -1.39 0
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226493 87457562 1 N2O2H12C15 A2B2C12D15 -1.61 5.05 -8.67 -0.94 0
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226494 87457563 1 N3O4C23H27 A3B4C23D27 -58.24 2.79 -8.6 -0.56 0
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226495 87457586 1 BrF3N3O3H13C18 AB3C3D3E13F18 -202.6 3.36 -9.55 -0.98 0
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226496 87457590 1 ClN3O3S3C23H26 AB3C3D3E23F26 -75.74 5.36 -8.35 -0.65 0
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226497 87457594 1 FN2O2S2C12H15 AB2C2D2E12F15 -93.93 7.03 -8.82 -1.04 0
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226498 87457595 1 N5C17H21 A5B17C21 112.81 4.76 -8.55 0.29 0
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226499 87457600 1 O4C11H16 A4B11C16 -170.83 1.39 -10.27 -1.23 0
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226500 87457603 1 NOC10H19 ABC10D19 -66.38 3.54 -9.25 0.49 0
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226501 87457643 1 BrSF3N3O4H11C16 ABC3D3E4F11G16 -252.28 10.07 -10.31 -1.34 0
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226502 87457653 1 OH12C14 AB12C14 126.88 2.03 -8.95 -0.09 0
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226503 87457654 1 SO4F6N6H20C24 AB4C6D6E20F24 -390.98 7.45 -9.57 -1.44 0
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226504 87457655 1 NSF3O4C7H10 ABC3D4E7F10 -273.39 2.34 -9.69 -1.54 0
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226505 87457672 1 NO3C18H35 AB3C18D35 -206.37 6.01 -9.88 0.26 0
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226506 87457685 3 O2C5H10 A2B5C10 -297.52 6.23 -9.81 0.49 0
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226507 87457686 1 ClSO2N4F5H18C22 ABC2D4E5F18G22 -243.96 4.23 -9.41 -1.33 0
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226508 87457687 1 ClNSiO3C14H34 ABCD3E14F34 -269.7 12.89 -8.16 0.43 0
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226509 87457690 1 OF11H11C28 AB11C11D28 -452.64 7.7 -8.81 -1.63 0
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226510 87457729 1 SN3O3F6C21H25 AB3C3D6E21F25 -440.97 2.41 -9.24 -0.79 0
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226511 87457731 1 N2O5F6C20H26 A2B5C6D20E26 -536.27 7.36 -9.4 -0.79 0
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226512 87457732 1 ClO3N4H15C19 AB3C4D15E19 1.42 5.65 -8.59 -2.22 0
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226513 87457735 1 IN2O4C18H27 AB2C4D18E27 -94.03 2.05 -8.42 -1.08 0
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226514 87457736 2 F2H7C13 A2B7C13 -75.78 2.39 -8.56 -1.36 0
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226515 87457738 1 BrO2S2N5C21H22 AB2C2D5E21F22 49.32 6.35 -8.62 -0.55 0