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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148324 53787986 1 NO2C10H17 AB2C10D17 -75.97 2.66 -9.47 0.23 0
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148325 53787987 1 ClNOF3H7C9 ABCD3E7F9 -188.21 4.54 -10.24 -1.31 0
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148326 53787988 1 N2O3C9H16 A2B3C9D16 -109.24 1.04 -8.92 0.55 0
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148327 53787989 1 ClNOC22H28 ABCD22E28 -30.13 3.25 -8.3 0.17 0
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148328 53787990 1 BrN3H16C21 AB3C16D21 107.25 2.97 -8.75 -1.12 0
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148329 53787991 1 OSiC12H28 ABC12D28 -114.89 1.67 -9.25 1.68 0
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148330 53787992 1 OC27H44 AB27C44 -103.25 1.71 -8.51 0.38 1
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148331 53787993 1 NO5C14H18 AB5C14D18 -164.8 1.88 0.0 0.0 0
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148332 53787994 1 F2N5O6H23C31 A2B5C6D23E31 -138.71 8.08 -8.37 -0.83 0
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148333 53787995 1 OC20H28 AB20C28 -25.77 4.88 -8.41 -0.12 0
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148334 53787996 1 O3C16H22 A3B16C22 -132.84 2.49 -8.97 -0.86 0
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148335 53787997 1 ClNO3C25H30 ABC3D25E30 -112.96 1.92 -7.92 -0.22 0
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148336 53787998 1 NO2S2C13H15 AB2C2D13E15 -12.64 3.34 -8.41 -0.53 0
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148337 53787999 1 N2O3C11H20 A2B3C11D20 -118.08 2.95 -8.5 0.56 0
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148338 53788000 1 N2O3C11H20 A2B3C11D20 -119.79 1.26 -8.61 0.66 0
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148339 53788001 1 FO2N7H20C21 AB2C7D20E21 -25.09 6.38 -9.23 -0.81 0
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148340 53788002 1 FO2N7H20C21 AB2C7D20E21 -28.31 5.78 -9.2 -0.84 0
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148341 53788003 1 FO2N7H20C21 AB2C7D20E21 -27.73 3.75 -9.2 -0.88 0
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148342 53788004 1 BrO2S2C12H15 AB2C2D12E15 -58.82 2.51 -8.33 -0.64 0
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148343 53788005 1 ON2C21H36 AB2C21D36 -50.9 2.55 -8.36 0.52 0
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148344 53788006 1 ClSN2O3C20H23 ABC2D3E20F23 -89.5 2.03 -8.74 -0.98 0
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148345 53788007 1 OSN2F3C23H25 ABC2D3E23F25 -143.63 1.83 -8.62 -0.81 0
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148346 53788008 1 O3C22H26 A3B22C26 -69.63 5.26 -7.86 -0.69 0
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148347 53788009 1 NO6C26H33 AB6C26D33 -208.13 4.6 -8.21 -0.08 0
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148348 53788010 1 SN7O21C52H83 AB7C21D52E83 -999.44 9.89 -9.72 -1.23 0
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148349 53788011 1 N2O3C26H36 A2B3C26D36 -118.21 7.48 -9.74 -1.32 0
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148350 53788012 1 S3O6N9C17H19 A3B6C9D17E19 -44.6 12.29 -9.46 -1.15 0
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148351 53788013 1 SN3O12H23C28 AB3C12D23E28 -396.74 7.45 -9.17 -1.34 0
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148352 53788014 1 O3C10H12 A3B10C12 -96.85 3.07 -9.14 -0.15 0
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148354 53788016 1 N3O5H15C17 A3B5C15D17 -108.39 4.51 -9.3 -0.94 0
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148355 53788017 1 FON3C19H22 ABC3D19E22 -24.67 5.38 -9.05 -0.56 0
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148356 53788018 1 ClO4H19C20 AB4C19D20 -95.87 2.64 -8.76 -0.43 0
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148357 53788019 1 NSO2C29H51 ABC2D29E51 -146.32 3.09 -8.53 -0.68 0
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148358 53788020 1 SN3O6C25H39 AB3C6D25E39 -265.2 4.3 -9.28 -0.31 0
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148359 53788021 1 BrO4N5C25H28 AB4C5D25E28 -82.84 9.16 -8.5 -0.95 0
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148360 53788022 1 NOC11H17 ABC11D17 -16.45 4.35 -8.79 -0.08 0
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148361 53788023 1 O2H16C21 A2B16C21 2.52 6.19 -9.65 -0.67 0
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148362 53788024 1 SF3N4O5H21C22 AB3C4D5E21F22 -291.61 5.88 -9.41 -1.24 0
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148363 53788025 1 N2O2C13H18 A2B2C13D18 -64.29 5.28 -9.62 -0.18 0
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148364 53788026 1 OSN3C22H25 ABC3D22E25 28.87 2.38 -8.61 -0.59 0
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148365 53788027 1 SO5C21H26 AB5C21D26 -121.78 5.61 -9.36 -0.08 0
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148366 53788028 1 N2O5C25H50 A2B5C25D50 -160.95 1.9 -10.22 -1.19 0
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148367 53788029 1 SF3O3N4H7C9 AB3C3D4E7F9 -160.67 3.92 -9.98 -1.53 0
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148368 53788030 1 FSN3O3H18C19 ABC3D3E18F19 -65.17 5.13 -9.28 -0.82 0
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148369 53788031 4 OC5H8 AB5C8 -100.7 7.92 -9.63 -0.26 0
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148370 53788032 2 NO2C11H11 AB2C11D11 -62.1 1.96 -8.42 -1.02 0
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148371 53788033 1 SO2H5N5C7 AB2C5D5E7 137.77 9.23 -9.1 -2.77 1
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148372 53788034 1 NPSiO9C37H47 ABCD9E37F47 -359.6 5.58 0.0 0.0 0
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148373 53788035 1 O2C31H60 A2B31C60 -188.25 4.06 -9.5 1.34 0
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148374 53788036 1 SN5O5C24H29 AB5C5D24E29 -143.62 5.68 -8.24 -0.64 0