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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5335 12990 1 OC6H10 AB6C10 -43.21 3.33 -10.06 -0.03 0
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5336 12991 1 OC4H6 AB4C6 -3.21 2.86 -10.25 1.25 0
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5337 12992 2 C4H7 A4B7 -9.14 0.02 -8.23 0.88 0
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5338 12994 2 HNC2 ABC2 79.75 0.0 -11.65 -1.53 0
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5339 12995 2 OC2H4 AB2C4 -75.75 1.34 -9.6 1.04 0
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5340 12998 1 O3C8H14 A3B8C14 -95.81 0.66 -9.55 0.9 0
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5341 13000 1 BrC13H27 AB13C27 -63.56 1.96 -10.4 0.03 0
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5342 13002 1 O2C3H4 A2B3C4 -34.83 1.88 -10.39 -0.32 0
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5343 13003 1 NC5H11 AB5C11 -16.09 1.95 -9.02 3.13 0
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5344 13005 2 OC3H4 AB3C4 -88.24 1.8 -10.19 0.19 0
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5345 13006 2 OC3H4 AB3C4 -77.87 4.94 -9.63 -0.36 0
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5346 13007 1 NC7H15 AB7C15 -21.07 1.48 -8.48 2.99 0
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5347 13009 2 OC3H6 AB3C6 -108.35 2.37 -9.95 2.0 0
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5348 13010 3 OC2H2 AB2C2 -106.52 5.77 -11.09 -1.6 0
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5349 13012 1 ClOC7H11 ABC7D11 -68.51 5.09 -10.11 0.24 0
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5350 13013 1 NO2C6H11 AB2C6D11 -67.77 2.71 -10.41 0.54 0
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5351 13015 1 ClNH4C7 ABC4D7 46.31 3.38 -10.07 -1.04 0
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5352 13016 1 SC8H10 AB8C10 18.29 1.51 -8.56 0.12 0
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5353 13017 1 NOC7H13 ABC7D13 -62.88 4.11 -9.76 1.08 0
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5354 13023 2 C5H6 A5B6 6.41 0.93 -9.02 0.53 0
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5355 13024 10 CH AB 34.81 0.81 -8.88 0.02 0
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5356 13025 10 CH AB 29.98 0.45 -8.77 0.09 0
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5357 13030 2 C5H6 A5B6 18.2 1.52 -9.1 0.54 0
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5358 13031 1 OC9H14 AB9C14 -55.46 3.05 -9.34 0.66 0
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5359 13033 2 C5H6 A5B6 27.26 0.21 -9.33 0.4 0
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5360 13034 1 OC9H12 AB9C12 -37.92 2.66 -9.42 0.14 0
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5361 13035 1 NC9H19 AB9C19 -42.94 1.21 -8.65 3.21 0
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5362 13036 1 C11H14 A11B14 9.77 0.06 -8.88 0.66 0
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5363 13041 1 HOF5C6 ABC5D6 -234.88 1.96 -10.08 -1.29 0
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5364 13043 2 C6H7 A6B7 18.63 0.65 -8.9 0.26 0
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5365 13045 1 NOC5H5F6 ABC5D5E6 -327.73 3.93 -11.15 0.12 0
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5366 13047 1 OC12H12 AB12C12 -14.56 1.65 -8.86 -0.49 0
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5367 13048 1 ClON2C10H17 ABC2D10E17 -75.55 5.5 -8.68 0.12 0
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5368 13053 1 FNO2H8C9 ABC2D8E9 -24.6 3.39 -10.12 -1.25 0
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5369 13054 2 HC3F4 AB3C4 -385.83 3.09 -12.39 -1.17 0
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5370 13056 1 NC13H26 AB13C26 -10.57 0.51 0.0 0.0 1
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5371 13057 2 NOH4C5 ABC4D5 31.11 8.69 -8.9 -1.24 0
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5372 13063 1 FN5C8H14 AB5C8D14 -20.07 6.14 -9.46 -0.02 0
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5373 13064 2 O2C5H8 A2B5C8 -203.32 0.25 -10.74 0.8 0
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5374 13065 1 C15H16 A15B16 34.22 0.6 -9.2 0.42 0
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5375 13069 1 NH11C14 AB11C14 59.2 2.18 -7.77 -0.75 0
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5376 13071 1 NOC13H19 ABC13D19 -37.63 2.44 -7.8 0.33 0
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5377 13072 1 NO2C12H17 AB2C12D17 -83.53 2.68 -9.08 0.28 0
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5379 13074 1 N2O3C11H14 A2B3C11D14 -104.08 1.37 -10.67 -0.58 0
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5380 13076 2 H7C8 A7B8 46.1 0.08 -7.95 -0.73 0
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5381 13077 2 OC7H7 AB7C7 -62.14 4.65 -9.07 -0.69 0
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5382 13079 2 ClNH5C6 ABC5D6 49.32 1.93 -8.89 -0.34 0
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5383 13080 1 NO2C14H21 AB2C14D21 -71.45 1.94 -8.96 0.23 0
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5384 13081 1 ClPO2S3C11H16 ABC2D3E11F16 -155.56 1.86 -8.99 -0.73 0
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5385 13084 2 O2H5C7 A2B5C7 -117.32 1.77 -10.28 -1.38 0
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5386 13085 2 NOH6C7 ABC6D7 -7.99 1.38 -9.54 -0.52 0
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5387 13090 1 NO2H9C16 AB2C9D16 56.32 6.29 -8.91 -1.55 0
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5388 13092 1 NH13C18 AB13C18 66.89 1.92 -8.14 -0.69 0
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5389 13094 1 OH10C18 AB10C18 149.11 4.67 -7.89 -1.44 0
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5390 13095 1 NF3O3C11H12 AB3C3D11E12 -284.69 2.83 -10.08 -0.72 0
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5391 13096 1 NCl3O4H10C11 AB3C4D10E11 -167.27 4.3 -8.99 -0.84 0
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5392 13097 1 OPH15C18 ABC15D18 26.71 4.89 -9.74 -0.14 0
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5393 13098 2 SC3F6 AB3C6 -619.94 0.2 -10.89 -2.55 0
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5394 13101 2 NC9H12 AB9C12 18.96 3.84 -7.91 0.27 0
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5395 13102 1 NO3C18H23 AB3C18D23 -70.3 4.15 -8.34 0.09 0
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5396 13103 1 ClNC21H42 ABC21D42 -45.67 37.98 -5.62 -1.87 0
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5397 13104 1 NC21H41 AB21C41 -81.56 1.69 -8.59 2.93 0
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5398 13105 2 NH8C10 AB8C10 76.08 0.4 -8.08 -0.34 0
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5399 13106 1 BrFH14C20 ABC14D20 40.47 2.15 -9.28 -0.59 0
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5400 13108 1 O2C21H32 A2B21C32 -128.24 5.12 -9.74 0.06 0
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5401 13109 1 O2C21H28 A2B21C28 -60.06 5.88 -9.76 0.07 0
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5403 13111 1 NC22H44 AB22C44 -50.54 0.34 0.0 0.0 1
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5404 13112 1 PN2O8H11C13 AB2C8D11E13 -190.13 7.28 -10.52 -1.64 0
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5405 13113 1 ClOSN2C19H21 ABCD2E19F21 -7.37 1.01 -8.43 -0.67 0
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5406 13114 1 BrFOH16C21 ABCD16E21 -0.15 1.94 -8.77 -0.53 0
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5407 13115 1 BrFOH16C21 ABCD16E21 -1.35 3.07 -8.85 -0.52 0
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5408 13116 1 N4O5C16H20 A4B5C16D20 -134.47 2.77 -8.96 -1.54 0
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5409 13117 1 BrF3H14C21 AB3C14D21 -75.26 3.63 -9.59 -0.82 0
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5410 13118 2 N3O3H6C7 A3B3C6D7 62.38 13.89 -9.18 -1.8 0
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5411 13119 1 SN4O8C40H50 AB4C8D40E50 -225.59 2.28 -8.67 -1.0 0