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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411379 135084202 1 NO2C12H15 AB2C12D15 -49.22 3.85 -8.65 0.18 0
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411380 135084203 1 BrNSiC10H18 ABCD10E18 -6.5 2.36 -9.37 -0.87 0
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411381 135084204 2 NOC5H5 ABC5D5 -12.31 1.64 -9.34 -0.81 1
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411382 135084205 1 N2O2C10H11 A2B2C10D11 -0.77 6.9 0.0 0.0 0
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411383 135084206 1 BrFOC10H10 ABCD10E10 -67.22 5.07 -10.2 -0.79 0
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411384 135084207 1 INOH8C13 ABCD8E13 66.39 4.11 -9.51 -1.4 0
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411385 135084208 1 N3H13C14 A3B13C14 95.38 4.75 -9.13 -0.79 0
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411386 135084209 1 OC14H18 AB14C18 1.38 2.01 -9.14 0.59 0
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411387 135084210 1 OCl2N2C11H14 AB2C2D11E14 -44.24 3.87 -9.91 -0.8 0
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411388 135084211 1 ON2H8C10 AB2C8D10 64.85 2.87 -9.34 -0.74 1
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411389 135084212 1 ON2H9C10 AB2C9D10 66.26 2.55 0.0 0.0 0
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411390 135084213 1 NOS2C14H17 ABC2D14E17 -11.81 5.02 -8.67 0.08 0
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411391 135084214 1 ClNO2C12H14 ABC2D12E14 -74.02 5.17 -9.93 -0.9 0
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411392 135084215 1 BrO3C14H15 AB3C14D15 -109.28 8.79 -9.33 -0.94 0
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411393 135084216 1 NOC11H11 ABC11D11 12.2 3.78 -8.69 0.1 0
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411394 135084217 1 NOS3C12H15 ABC3D12E15 -7.37 2.96 -8.59 -0.62 0
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411395 135084218 1 BrFOC9H10 ABCD9E10 -71.95 2.5 -9.07 -0.71 0
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411396 135084219 1 PS2C13H15 AB2C13D15 -19.71 4.64 -8.8 -0.82 0
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411397 135084220 1 BrSiC15H29 ABC15D29 -47.55 2.09 -8.97 -0.03 0
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411398 135084221 1 ClIC12H16 ABC12D16 -4.79 3.21 -9.27 -0.8 0
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411399 135084222 1 N3O3H7C9 A3B3C7D9 36.9 3.93 -9.98 -1.87 0
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411400 135084223 1 BNO4C8H8 ABC4D8E8 -118.12 6.8 -10.35 -1.52 0
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411401 135084224 1 NOBr2C10H11 ABC2D10E11 16.69 2.79 -9.06 -0.91 0
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411402 135084225 1 NOC14H21 ABC14D21 -29.57 5.01 -8.76 0.49 0
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411403 135084226 12 CH AB 85.95 0.95 -9.26 0.44 0
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411404 135084227 1 NI2O2C12H15 AB2C2D12E15 -43.72 3.04 -9.45 -1.08 0
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411405 135084228 1 NO3C12H23 AB3C12D23 -168.1 2.59 -9.89 0.8 0
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411406 135084229 2 OC7H11 AB7C11 -95.14 0.9 -9.11 0.39 0
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411407 135084230 1 NO3C14H17 AB3C14D17 -39.53 3.3 -9.57 -0.04 0
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411408 135084231 1 O3C11H16 A3B11C16 -71.65 4.36 -9.14 0.64 0
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411409 135084232 1 O3H4N4C9 A3B4C4D9 41.53 20.21 -8.94 -3.42 1
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411410 135084233 1 O3N4H5C9 A3B4C5D9 -9.9 5.14 0.0 0.0 0
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411411 135084234 1 BrNO2C12H12 ABC2D12E12 -4.15 4.91 -9.58 -0.61 0
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411412 135084235 1 BrON2C11H11 ABC2D11E11 14.66 1.94 -9.41 -1.45 0
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411413 135084236 1 ClN2H13C14 AB2C13D14 46.84 5.0 -8.68 -0.23 0
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411414 135084237 1 OC13H24 AB13C24 -47.24 1.5 -9.64 1.27 0
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411415 135084238 1 O3C12H16 A3B12C16 -100.57 1.18 -8.87 0.35 0
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411416 135084239 1 ClN2H7C8 AB2C7D8 35.89 1.32 -9.0 -0.49 0
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411417 135084240 6 C2H3 A2B3 -8.1 1.95 -9.17 1.53 0
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411418 135084241 1 OSC15H20 ABC15D20 5.49 1.77 -8.61 0.33 0
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411419 135084242 1 OCl2N2C11H14 AB2C2D11E14 -38.55 4.1 -10.02 -0.87 0
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411420 135084243 1 SiO2C12H24 AB2C12D24 -141.4 2.04 -8.74 1.13 0
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411421 135084246 1 NO2C11H15 AB2C11D15 -40.79 3.8 -9.46 -0.33 0
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411422 135084247 1 BrN2C13H17 AB2C13D17 49.0 1.44 -9.92 -0.66 0
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411423 135084248 1 BClPC4H13 ABCD4E13 -35.24 5.49 -9.82 -0.22 0
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411424 135084249 1 O2C15H22 A2B15C22 -38.32 3.46 -9.54 0.38 0
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411425 135084250 1 O2N3C11H17 A2B3C11D17 -6.59 4.13 -9.92 -0.29 0
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411426 135084253 1 O3C13H16 A3B13C16 -102.17 1.49 -9.7 0.04 0
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411427 135084257 1 OC15H22 AB15C22 -27.77 2.31 -9.6 0.88 0
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411428 135084259 1 ClO2C11H19 AB2C11D19 -110.95 0.93 -10.45 0.26 0