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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168435 74967607 1 ClO2N7C13H14 AB2C7D13E14 34.64 1.29 -8.94 -1.41 0
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168436 74967654 2 O3H10C13 A3B10C13 -153.28 6.76 -9.02 -0.76 0
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168437 74967655 1 SN3O5C28H39 AB3C5D28E39 -210.41 6.6 -8.92 -1.38 1
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168438 74967815 1 SN4O5C21H31 AB4C5D21E31 -171.73 9.75 0.0 0.0 0
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168439 74967816 1 ClSN4O4C20H29 ABC4D4E20F29 -145.41 7.96 -8.28 -0.79 -3
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168440 74967969 1 P2O8C14H19 A2B8C14D19 -211.28 6.9 0.0 0.0 0
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168441 74968187 1 S2O5N7C19H27 A2B5C7D19E27 -118.21 6.91 -8.83 -0.83 0
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168442 74968188 1 O4N11C28H43 A4B11C28D43 -118.83 2.93 -9.27 -0.66 0
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168443 74968360 1 O6N9C48H59 A6B9C48D59 -146.34 4.41 -8.74 -0.76 0
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168444 74968466 1 N3O4C22H33 A3B4C22D33 -139.7 1.57 -9.36 0.31 0
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168445 74968709 1 O13N31C58H101 A13B31C58D101 -462.0 12.22 -8.79 -1.19 0
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168446 74968732 1 N2O3C29H34 A2B3C29D34 -75.67 3.52 -8.24 -0.02 0
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168447 74968780 1 O3C26H44 A3B26C44 -184.89 4.43 -8.87 -0.02 1
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168448 74968981 1 SO2N3C13H16 AB2C3D13E16 24.9 1.61 0.0 0.0 0
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168449 74969051 1 O4N5C27H27 A4B5C27D27 -31.11 1.68 -9.09 -0.8 0
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168450 74969349 1 BrN2C16H17 AB2C16D17 66.04 2.25 -9.19 -0.38 0
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168451 74969398 1 NNaSO9H12C13 ABCD9E12F13 -364.4 6.02 -9.26 -1.14 0
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168452 74969399 1 NSO9C13H13 ABC9D13E13 -313.16 4.05 -10.33 -1.78 0
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168453 74969400 1 SO3N4C24H24 AB3C4D24E24 -27.1 1.87 -9.02 -0.59 0
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168454 74969697 2 NO3C6H11 AB3C6D11 -226.33 3.9 -9.08 -1.36 0
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168455 74969698 2 NOC4H9 ABC4D9 -66.45 1.81 -8.93 0.52 0
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168456 74969750 1 N4O4C23H24 A4B4C23D24 -110.74 11.1 -8.81 -0.35 0
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168457 74970339 1 SN2O11C29H38 AB2C11D29E38 -464.91 2.66 -8.63 -0.57 0
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168458 74970898 1 SCl2N2O6C25H30 AB2C2D6E25F30 -246.39 3.5 -8.96 -0.96 0
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168459 74971353 1 N5O5C33H55 A5B5C33D55 -182.05 8.97 -6.34 -1.87 0