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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391449 135005236 1 PdC18H28 AB18C28 132.13 1.7 -6.84 0.03 0
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391450 135005238 1 NO3C22H23 AB3C22D23 -35.99 4.92 -8.51 -0.64 0
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391451 135005266 1 BKOF3H9C13 ABCD3E9F13 -314.58 7.78 -9.37 -0.55 0
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391452 135005296 1 NSO2H19C21 ABC2D19E21 9.82 4.1 -8.4 -0.34 0
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391453 135005297 1 ON2C22H22 AB2C22D22 41.0 4.78 -8.43 -0.39 0
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391454 135005335 1 OPN2F6C16H17 ABC2D6E16F17 -430.65 13.39 -8.87 -2.03 0
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391455 135005357 1 NSSiO3C19H35 ABCD3E19F35 -181.53 4.86 -8.61 0.2 0
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391456 135005384 1 N3O4C21H21 A3B4C21D21 -73.72 1.74 -9.6 -1.2 0
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391457 135005392 1 O3C17H22 A3B17C22 -120.64 0.37 -8.86 0.16 0
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391458 135005397 1 NCl2O3H17C19 AB2C3D17E19 -59.04 4.74 -9.39 -0.77 0
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391459 135005408 1 ClN4H17C18 AB4C17D18 94.26 8.0 -8.55 -1.65 1
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391460 135005411 1 ClNF2C4H7 ABC2D4E7 -105.62 5.06 0.0 0.0 0
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391461 135005412 1 INSO2C14H16 ABCD2E14F16 -20.83 6.55 -9.32 -0.88 0
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391462 135005413 1 INSO2C14H16 ABCD2E14F16 -22.05 6.79 -9.29 -0.71 0
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391463 135005417 1 O3C11H18 A3B11C18 -132.42 2.36 -9.83 -0.14 0
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391464 135005457 1 O3C22H22 A3B22C22 -69.56 1.65 -9.47 -0.52 0
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391465 135005491 1 NSSiO2F3C19H32 ABCD2E3F19G32 -301.71 7.31 -8.66 -0.38 0
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391466 135005518 1 OLi2H10C12 AB2C10D12 -37.96 7.71 -6.8 0.23 0
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391467 135005520 1 NO5C12H17 AB5C12D17 -186.66 4.11 -10.31 -0.36 0
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391468 135005523 1 NO3C17H27 AB3C17D27 -158.58 4.98 -9.51 0.73 0
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391469 135005530 1 SN2O5C18H20 AB2C5D18E20 -92.1 4.21 -9.9 -0.55 0
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391470 135005531 1 NO7C15H17 AB7C15D17 -191.54 8.13 -10.5 -1.43 0
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391471 135005535 1 O5C12H20 A5B12C20 -229.46 3.7 -10.24 0.08 0
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391472 135005540 1 O5C21H30 A5B21C30 -226.17 10.05 -9.73 -0.31 0
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391473 135005541 1 IO2C14H19 AB2C14D19 -81.02 2.2 -9.25 -1.09 0
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391474 135005542 1 NSO8C24H27 ABC8D24E27 -300.14 7.3 -8.75 -1.78 0
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391475 135005543 1 SN2O3C20H20 AB2C3D20E20 -80.96 10.39 -8.74 -1.81 0
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391476 135005565 1 BrO5H23C26 AB5C23D26 -129.56 3.26 -9.64 -0.32 0
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391477 135005566 3 O2H8C9 A2B8C9 -159.2 4.28 -9.63 -0.85 0
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391478 135005580 1 BrSO2F3H8C13 ABC2D3E8F13 -174.19 4.47 -9.63 -1.45 -1
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391480 135005619 1 NSO4C20H23 ABC4D20E23 -111.26 4.97 -9.07 -0.46 0
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391481 135005620 1 NSO3C21H23 ABC3D21E23 -54.04 5.44 -8.43 -0.49 0
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391482 135005624 1 Cl4H12C17 A4B12C17 13.33 2.07 -9.36 -0.52 0
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391483 135005625 1 SO2C12H16 AB2C12D16 -43.02 4.01 -9.52 0.14 0
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391484 135005626 1 SO4C14H20 AB4C14D20 -151.18 6.09 -9.28 0.05 0
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391485 135005630 1 H5N5Cl6C10 A5B5C6D10 63.11 2.78 -9.72 -1.56 0
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391486 135005738 1 NSO2C25H25 ABC2D25E25 -19.67 5.08 -9.17 -0.39 0
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391487 135005757 1 N4O5C18H20 A4B5C18D20 -106.76 6.75 -10.06 -1.41 0
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391488 135005758 1 Cl2N3O3C19H21 A2B3C3D19E21 -126.25 3.4 -9.61 -1.0 0
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391489 135005777 1 O2H20C21 A2B20C21 -28.89 3.52 -9.42 0.02 0
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391490 135005783 1 NO2C19H23 AB2C19D23 -33.84 1.49 -8.11 0.12 0
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391491 135005784 1 NO5C15H21 AB5C15D21 -219.31 4.33 -9.76 -0.12 0
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391492 135005787 1 O3C15H28 A3B15C28 -182.81 2.75 -10.48 -0.01 0
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391493 135005804 1 SO2C15H26 AB2C15D26 -103.51 1.07 -8.74 -0.42 0
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391494 135005805 2 OC8H13 AB8C13 -112.12 0.96 -8.84 1.43 0
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391495 135005811 1 NO4C16H21 AB4C16D21 -69.93 4.89 -9.76 -0.97 0
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391496 135005877 1 NO5C16H23 AB5C16D23 -235.84 3.66 -8.91 -0.18 0
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391497 135005894 1 SO4C17H26 AB4C17D26 -169.43 5.48 -9.3 0.4 0
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391498 135005929 1 NO4C12H15 AB4C12D15 -71.02 2.91 -9.1 -0.41 0
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391499 135005938 1 NO4C12H15 AB4C12D15 -75.1 6.55 -10.15 -1.56 0