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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182359 76880664 1 N2O3H14C16 A2B3C14D16 -28.11 4.89 -8.85 -1.59 0
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182360 76880665 1 SO3N4H10C12 AB3C4D10E12 12.35 4.96 -9.35 -1.77 0
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182361 76880681 1 N3O4H13C14 A3B4C13D14 -110.91 2.11 -9.02 -0.69 0
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182362 76880890 1 N2S2O3C10H10 A2B2C3D10E10 -63.86 2.47 -9.24 -2.0 0
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182363 76880891 1 N2O3C14H14 A2B3C14D14 -66.73 4.19 -10.05 -1.2 0
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182364 76880946 2 ON2C7H7 AB2C7D7 11.5 0.97 -9.13 -1.25 0
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182365 76881148 1 ON3C16H19 AB3C16D19 3.45 11.5 -8.97 -0.67 0
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182366 76881182 1 ON3C15H21 AB3C15D21 11.59 8.74 -9.19 -0.62 0
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182367 76881183 1 ON4C16H22 AB4C16D22 -19.76 4.01 -7.86 0.07 0
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182368 76881336 1 O2N3C16H19 A2B3C16D19 -32.29 9.71 -9.2 -0.72 0
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182369 76881454 1 O2N6C11H22 A2B6C11D22 -61.76 5.24 -8.69 -0.22 0
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182370 76881760 1 N3O4H9C13 A3B4C9D13 -46.51 4.07 -10.24 -2.31 0
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182371 76882341 1 BrO2N4C11H13 AB2C4D11E13 -40.31 9.02 -9.76 -2.11 0
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182372 76882342 1 O3N4H12C13 A3B4C12D13 -5.6 6.08 -9.56 -2.33 0
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182373 76882343 1 O3N4C13H14 A3B4C13D14 -35.54 4.82 -9.24 -2.48 0
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182374 76882643 1 ClNOC11H14 ABCD11E14 -17.5 3.06 -9.13 0.0 0
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182375 76882644 1 O2N3H15C16 A2B3C15D16 29.61 5.89 -8.85 -1.75 0
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182376 76882645 1 ClNOC14H20 ABCD14E20 -25.51 1.74 -8.72 0.2 0
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182377 76882886 1 NO3C12H17 AB3C12D17 -88.12 1.38 -9.05 -0.23 0
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182378 76883469 1 O3N5C13H17 A3B5C13D17 -5.15 4.95 -8.72 -0.81 0
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182379 76883693 1 O2N3C10H21 A2B3C10D21 -71.64 2.18 -8.77 1.07 0
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182380 76883722 1 ON5C13H21 AB5C13D21 -3.05 4.47 -8.98 -0.21 0
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182381 76883847 1 SO3N5C12H19 AB3C5D12E19 -79.08 8.37 -8.67 -0.5 0
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182382 76883848 1 SO3N5C12H19 AB3C5D12E19 -71.92 7.59 -8.63 -0.24 0
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182383 76883859 1 SO2N4C8H12 AB2C4D8E12 -19.68 5.17 -8.67 -0.51 0
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182384 76883860 1 SN3O4C13H19 AB3C4D13E19 -122.71 5.77 -9.1 -0.45 0
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182385 76883861 1 SN3O4C12H17 AB3C4D12E17 -119.34 6.09 -8.77 -0.45 0
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182386 76883862 1 SN3O4C13H19 AB3C4D13E19 -124.65 4.04 -8.94 -0.33 0
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182387 76883865 1 SO2N4C8H12 AB2C4D8E12 -16.87 1.23 -9.1 -0.55 1
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182388 76883947 1 O2N4C15H25 A2B4C15D25 -86.44 3.86 0.0 0.0 0
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182389 76884236 1 FSN2O2H13C17 ABC2D2E13F17 -34.68 5.6 -8.51 -1.53 0
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182390 76884237 1 FO2N3H20C21 AB2C3D20E21 -34.28 7.85 -8.29 -0.71 0
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182391 76884238 1 ClFO2N3H19C21 ABC2D3E19F21 -34.79 7.41 -8.29 -0.71 0
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182392 76884239 1 FO2N3H14C18 AB2C3D14E18 -19.24 4.01 -8.5 -1.59 0
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182393 76884240 1 FO2N3C21H24 AB2C3D21E24 -69.39 7.93 -8.3 -0.82 0
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182394 76884241 1 ClFOSN3H15C18 ABCDE3F15G18 20.81 1.63 -9.07 -1.37 0
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182395 76884250 1 ClFO2S2N3H17C18 ABC2D2E3F17G18 -73.32 9.3 -8.95 -1.8 0
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182396 76884304 1 O3N4C27H30 A3B4C27D30 -49.52 8.82 -8.83 -0.6 0
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182397 76884305 1 BrSN2O3H17C18 ABC2D3E17F18 -47.72 5.81 -9.18 -1.58 0
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182398 76884306 1 O3N4H24C25 A3B4C24D25 -19.45 6.64 -8.91 -1.05 0
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182399 76884436 1 ClSN2O3H13C18 ABC2D3E13F18 -48.0 3.86 -9.15 -1.57 0
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182400 76884437 1 ClOSN4C21H23 ABCD4E21F23 42.07 1.43 -8.55 -1.42 0
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182401 76884967 1 NO4C15H17 AB4C15D17 -139.46 2.54 -8.83 -0.57 0
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182402 76885527 1 ClSN2O4H15C17 ABC2D4E15F17 -108.72 5.31 -10.05 -1.16 0
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182403 76885528 1 O2N3C19H21 A2B3C19D21 -54.6 4.48 -7.97 -0.07 0
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182404 76885680 2 ON2C10H15 AB2C10D15 -11.1 4.63 -8.42 0.29 0
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182405 76886509 1 SN3O3C14H19 AB3C3D14E19 -76.77 9.52 -9.85 -0.33 1
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182406 76886618 1 O2N7C10H14 A2B7C10D14 26.42 3.39 0.0 0.0 1
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182407 76886740 1 O3N5C10H16 A3B5C10D16 -65.93 1.6 0.0 0.0 0
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182408 76886741 1 O3N4C14H26 A3B4C14D26 -147.67 5.4 -9.36 0.14 0