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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149680 53789354 1 SN2O2H16C17 AB2C2D16E17 -4.53 3.28 -9.28 -0.45 0
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149681 53789355 1 NO3C6H7 AB3C6D7 -121.04 6.47 -9.88 -0.48 0
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149682 53789356 6 OC3H5 AB3C5 -213.02 4.44 -9.34 -0.26 0
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149683 53789357 1 O4S4H30C51F68 A4B4C30D51E68 -3457.07 4.9 -9.02 -1.54 0
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149684 53789358 2 NO4H7C11 AB4C7D11 -158.56 2.64 -9.19 -1.8 0
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149685 53789359 2 NO2C22H44 AB2C22D44 -364.62 4.65 -8.97 0.57 0
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149686 53789360 2 C5O5H9 A5B5C9 -259.82 4.59 -10.48 -0.51 0
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149687 53789361 1 NC10H21 AB10C21 -27.47 1.58 -8.51 1.37 0
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149688 53789362 1 ON2H18C20 AB2C18D20 48.98 3.79 -7.97 -0.5 0
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149689 53789363 1 BrCl3O4H18C20 AB3C4D18E20 -135.3 3.25 -9.03 -0.99 0
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149690 53789364 1 N2O3C8H10 A2B3C8D10 -51.33 3.78 -8.82 -0.8 -1
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149691 53789365 1 SN2O2C15H21 AB2C2D15E21 -42.3 5.93 0.0 0.0 0
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149692 53789366 1 OF2N2C19H22 AB2C2D19E22 -84.94 5.95 -8.88 -0.25 0
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149693 53789367 2 NO2C21H42 AB2C21D42 -308.81 5.38 -9.0 1.04 0
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149694 53789368 1 SN4O6C22H26 AB4C6D22E26 -202.5 11.24 -9.3 -1.19 0
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149695 53789369 1 S3O9H18C23 A3B9C18D23 -277.89 8.25 -9.11 -1.19 0
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149696 53789370 2 ON2C13H19 AB2C13D19 77.44 4.32 -8.36 -0.12 0
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149697 53789371 1 OC2H4 AB2C4 -37.96 3.11 -10.24 0.41 0
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149698 53789372 1 O2F5C8H9 A2B5C8D9 -337.75 3.57 -10.36 -0.77 0
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149699 53789373 1 SN3O4C17H21 AB3C4D17E21 -125.7 5.44 -9.37 -0.69 0
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149700 53789374 1 N2O7H30C31 A2B7C30D31 -173.44 7.19 -8.64 -0.67 0
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149701 53789375 1 N2O3C17H24 A2B3C17D24 -117.45 4.26 -9.33 0.17 0
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149702 53789376 1 O8C29H36 A8B29C36 -292.67 3.61 -8.76 -0.28 0
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149703 53789377 1 FN3O4C10H14 AB3C4D10E14 -201.15 5.32 -9.62 -0.4 0
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149704 53789378 1 NO4C22H25 AB4C22D25 -110.61 4.25 -8.75 -0.6 0