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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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328338 126700744 1 BrION2H8C10 ABCD2E8F10 42.92 6.38 -9.02 -1.8 0
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328339 126700745 1 BrON2C11H11 ABC2D11E11 7.12 7.02 -8.8 -0.4 0
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328340 126700751 1 SO2H10C12 AB2C10D12 -30.2 4.14 -9.18 -0.97 0
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328341 126700753 1 ClSO3N6H15C16 ABC3D6E15F16 -1.28 4.63 -9.04 -1.54 0
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328342 126700754 1 ClS2O3N6C18H23 AB2C3D6E18F23 -33.33 4.11 -9.03 -1.5 0
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328343 126700756 1 BrO2N4H15C18 AB2C4D15E18 24.5 7.44 -8.8 -0.81 0
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328344 126700757 1 ClSO4N6C20H21 ABC4D6E20F21 -58.77 7.15 -9.1 -1.49 0
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328345 126700768 1 SO3N7C27H31 AB3C7D27E31 -5.47 4.94 -9.88 -1.8 0
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328346 126700769 1 N4O8C35H40 A4B8C35D40 -250.15 1.56 -9.27 -1.51 0
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328347 126700770 1 OC4N4H8 AB4C4D8 -3.38 6.15 -9.52 -0.32 0
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328348 126700772 1 O4N6H22C25 A4B6C22D25 10.11 4.04 -8.37 -0.72 0
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328349 126700774 1 O7C52H72 A7B52C72 -324.36 4.19 -8.88 -0.31 0
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328350 126700775 1 O7C53H74 A7B53C74 -327.45 4.85 -8.78 -0.23 0
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328351 126700777 1 O2N6C19H20 A2B6C19D20 38.03 4.32 -8.3 -1.22 0
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328352 126700783 1 ON5C18H21 AB5C18D21 84.54 6.02 -8.09 -0.77 0
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328353 126700784 1 O3N5C20H27 A3B5C20D27 -56.23 7.37 -7.96 0.08 0
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328354 126700790 1 O3N7H23C25 A3B7C23D25 47.21 4.93 -8.36 -0.72 0
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328355 126700791 1 O3N7C22H27 A3B7C22D27 -32.08 7.37 -8.18 -0.45 0
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328356 126700797 1 FSO3N5H20C21 ABC3D5E20F21 -80.06 9.46 -8.6 -1.14 0
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328357 126700806 1 FSO3N5H20C21 ABC3D5E20F21 -79.48 7.67 -8.5 -1.09 0
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328358 126700812 1 SN3H27C40 AB3C27D40 193.11 4.64 -8.37 -0.95 0
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328359 126700814 1 FO3N6H23C24 AB3C6D23E24 -27.4 9.39 -8.84 -1.34 0
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328360 126700818 1 FN2C12H13 AB2C12D13 14.63 4.39 -8.89 -0.56 0
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328361 126700819 1 SN2O4C26H30 AB2C4D26E30 -92.12 4.52 -8.17 -0.79 0
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328362 126700828 1 FN4C10H11 AB4C10D11 39.09 5.85 -9.24 -1.14 0
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328363 126700831 1 NOH15C19 ABC15D19 51.34 1.05 -8.5 -0.55 0
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328364 126700945 1 ClN4H9C12 AB4C9D12 107.69 5.2 -9.56 -0.82 0
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328365 126701172 1 BrNSH14C24 ABCD14E24 115.5 1.99 -8.4 -0.95 0
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328366 126701200 1 BrO4N5C22H22 AB4C5D22E22 0.44 6.55 -8.62 -1.23 0
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328367 126701201 1 SO11N12C34H40 AB11C12D34E40 -353.12 8.29 -9.22 -1.32 1
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328368 126701203 1 S3N17O17C68H86 A3B17C17D68E86 -508.68 24.61 0.0 0.0 0
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328369 126701207 1 S4N17O22C71H85 A4B17C22D71E85 -778.52 15.07 -7.98 -1.71 0
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328370 126701208 1 O5N7C23H39 A5B7C23D39 -239.27 6.85 -8.59 0.06 0
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328371 126701217 1 ON4C13H22 AB4C13D22 -0.29 3.14 -8.85 0.09 0
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328372 126701218 1 NO2C9H19 AB2C9D19 -118.01 5.59 -9.27 0.79 0
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328373 126701229 2 O3C7H11 A3B7C11 -278.86 5.43 -10.3 -1.32 0
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328374 126701231 1 BrFO2N5H23C27 ABC2D5E23F27 89.69 11.54 -8.63 -0.75 0
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328375 126702993 1 O2N3C18H29 A2B3C18D29 -67.02 4.33 -9.36 -0.15 0
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328376 126704889 1 NOC9H21 ABC9D21 -75.65 2.62 -8.82 2.16 0
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328377 126704891 1 NOC14H23 ABC14D23 -45.3 1.85 -8.88 0.45 0
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328378 126704904 1 NOC21H23 ABC21D23 -5.41 4.22 -8.52 -1.18 0
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328379 126704912 1 N7H11C17 A7B11C17 185.33 1.83 -9.46 -1.79 0
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328380 126704914 2 N4H5C8 A4B5C8 204.56 0.52 -9.57 -1.97 0
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328381 126705217 1 NO3C29H29 AB3C29D29 -58.82 5.79 -9.17 -0.33 0
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328382 126705225 1 NO4H25C27 AB4C25D27 -82.46 5.28 -9.3 -0.37 0
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328383 126705381 2 O10C19H28 A10B19C28 -928.87 1.93 -9.94 0.33 0
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328384 126705435 1 F3N3H10C17 A3B3C10D17 -65.39 6.47 -8.62 -1.34 0
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328385 126705741 1 O6C15H26 A6B15C26 -312.39 4.35 -10.71 0.51 0
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328386 126705742 3 OC4H8 AB4C8 -183.76 2.72 -9.74 0.82 0
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328387 126705745 1 OSN7C27H35 ABC7D27E35 56.1 2.97 -8.54 -0.34 0