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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50717 12013299 1 O3C16H16 A3B16C16 -102.8 8.14 -9.93 -0.99 0
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50718 12013301 1 O3C16H16 A3B16C16 -7.32 6.71 -9.95 -0.93 0
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50719 12013302 1 O3C16H16 A3B16C16 -90.03 7.05 -10.22 -1.04 0
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50720 12013303 1 O3C17H18 A3B17C18 -100.14 6.24 -9.99 -1.03 0
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50721 12013304 1 BrO3C14H19 AB3C14D19 -121.08 3.99 -10.17 -0.63 0
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50722 12013305 1 BrO3H15C16 AB3C15D16 -70.31 6.06 -10.05 -1.08 0
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50723 12013307 1 BrO3C17H17 AB3C17D17 -80.52 7.52 -9.85 -1.1 0
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50724 12013308 1 BrO3H15C16 AB3C15D16 -70.05 5.48 -9.88 -1.14 0
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50725 12013309 1 BrO3C17H17 AB3C17D17 -81.52 6.62 -9.76 -1.1 0
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50726 12013310 1 NSnC7H19 ABC7D19 6.35 1.86 -8.51 1.42 0
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50727 12013311 1 NSnC13H23 ABC13D23 25.68 1.37 -8.53 0.58 0
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50728 12013312 1 ClHNC2 ABCD2 46.57 2.88 0.0 0.0 0
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50729 12013313 1 ClNH10C11 ABC10D11 62.29 4.41 -9.52 -0.37 0
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50730 12013314 1 ClN2H5C7 AB2C5D7 69.9 6.39 -8.4 -1.08 1
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50731 12013315 1 ClN2H6C7 AB2C6D7 75.18 1.83 0.0 0.0 0
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50732 12013316 1 OC5H6 AB5C6 -2.54 0.91 -9.34 -0.01 0
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50733 12013317 1 OH10C11 AB10C11 21.98 0.95 -9.32 -0.09 0
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50734 12013318 1 O3C11H20 A3B11C20 -155.16 3.23 -10.15 0.52 0
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50735 12013319 1 O3C11H20 A3B11C20 -158.58 2.26 -10.22 0.56 0
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50736 12013321 1 O3C8H14 A3B8C14 -138.13 3.71 -10.62 -0.1 0
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50737 12013322 1 O3C10H16 A3B10C16 -107.21 1.74 -10.44 -0.43 0
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50738 12013324 1 SiO4C19H36 AB4C19D36 -225.97 4.81 -8.85 -0.5 0
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50739 12013325 1 SiO4C19H36 AB4C19D36 -226.63 1.96 -8.9 -0.55 0
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50740 12013327 1 SO3C15H20 AB3C15D20 -129.76 1.45 -8.95 -0.3 0
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50741 12013328 1 SO3C15H20 AB3C15D20 -133.69 2.31 -8.75 -0.21 0
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50742 12013329 1 SO3C15H20 AB3C15D20 -133.34 1.23 -8.85 -0.23 0
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50743 12013330 1 SO3C13H20 AB3C13D20 -138.68 3.81 -8.92 -0.27 0
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50744 12013331 1 SO3C15H20 AB3C15D20 -133.35 3.89 -8.66 -0.07 0
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50745 12013332 1 SO3C15H20 AB3C15D20 -132.0 2.62 -8.5 0.04 0
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50746 12013333 1 SO3C16H24 AB3C16D24 -145.46 2.59 -8.62 -0.04 0
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50747 12013334 1 SO3C16H24 AB3C16D24 -143.94 2.99 -8.62 -0.01 0
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50748 12013336 1 SO3C18H24 AB3C18D24 -138.25 2.79 -8.5 0.05 0
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50749 12013337 1 NSF2O2C19H21 ABC2D2E19F21 -137.1 6.39 -9.3 -0.53 0
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50750 12013338 1 FNSO2C19H20 ABCD2E19F20 -85.52 6.33 -8.6 -0.73 0
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50751 12013339 1 FOC12H15 ABC12D15 -75.02 2.85 -9.16 -0.05 0
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50752 12013340 1 FOC12H15 ABC12D15 -75.53 1.9 -9.04 0.08 0
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50753 12013341 1 FNC3H8 ABC3D8 -61.27 1.82 -9.68 2.7 0
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50754 12013342 1 NSO2C10H13 ABC2D10E13 -55.62 3.6 -8.9 0.09 0
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50755 12013343 1 NSO2C10H13 ABC2D10E13 -55.49 3.82 -9.04 0.06 0
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50756 12013344 1 NSO3C10H13 ABC3D10E13 -98.34 6.01 -9.81 -0.55 0
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50757 12013345 1 NSO3C10H13 ABC3D10E13 -98.72 5.85 -9.77 -0.54 0
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50758 12013346 1 FNC10H14 ABC10D14 -34.16 1.53 -9.17 0.34 0
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50759 12013347 1 FNC10H14 ABC10D14 -36.52 2.07 -9.32 0.24 0
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50760 12013348 1 NO2C11H13 AB2C11D13 -65.93 5.9 -9.67 -0.08 0
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50761 12013349 1 NO2C11H13 AB2C11D13 -67.09 5.66 -9.75 -0.11 0
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50762 12013350 1 N2F5H9C11 A2B5C9D11 -220.66 5.42 -9.24 -0.76 0
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50763 12013351 1 SBr2N2H4C7 AB2C2D4E7 47.08 3.01 -8.74 -1.4 0
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50764 12013352 1 O2H18C21 A2B18C21 -2.62 2.4 -8.87 -0.98 0
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50765 12013353 1 SO2N3H19C25 AB2C3D19E25 83.11 2.56 -8.31 -1.27 0
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50766 12013354 1 SO2N3H23C27 AB2C3D23E27 62.4 2.38 -8.18 -1.15 0