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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89398 49961418 1 O2N3C21H25 A2B3C21D25 -55.5 1.59 -8.79 -0.27 0
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89399 49961433 1 N2O4H40C45 A2B4C40D45 -33.02 5.37 -8.72 -0.37 0
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89400 49961434 1 SN2O4C12H18 AB2C4D12E18 -152.44 7.75 -9.16 -0.76 0
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89401 49961436 2 NO2C10H12 AB2C10D12 -129.44 4.23 -9.52 -0.11 0
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89402 49961439 1 SN2O4C16H18 AB2C4D16E18 -134.06 5.9 -8.84 -0.78 0
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89403 49961463 1 N3O4C12H15 A3B4C12D15 -137.36 4.05 -9.18 -0.25 0
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89404 49961464 1 N2O4C23H30 A2B4C23D30 -153.48 7.61 -9.11 0.09 0
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89405 49961473 1 S2N5O5C26H29 A2B5C5D26E29 -117.12 5.83 -9.38 -1.46 0
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89406 49961474 1 SN2O4C18H22 AB2C4D18E22 -141.0 6.43 -9.61 -0.7 0
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89407 49961488 1 SN2O3C17H22 AB2C3D17E22 -115.24 6.54 -8.26 -0.6 0
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89408 49961498 1 SN2O6C27H30 AB2C6D27E30 -199.7 6.8 -8.16 -0.84 0
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89409 49961499 1 N2O2F3C13H13 A2B2C3D13E13 -218.27 6.72 -9.55 -0.93 0
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89410 49961515 2 NOC8H12 ABC8D12 -84.07 1.61 -8.71 0.31 0
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89411 49961516 1 ON2C18H20 AB2C18D20 8.49 4.11 -9.17 -0.19 0
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89412 49961518 1 Br2N2O2C13H16 A2B2C2D13E16 -48.03 4.18 -9.26 -0.58 0
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89413 49961519 1 ClN2O2C15H21 AB2C2D15E21 -85.05 2.83 -8.85 0.11 0
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89414 49961523 1 SN3C12H17 AB3C12D17 38.69 6.84 -8.4 -0.31 0
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89415 49961524 1 IN2O2C13H17 AB2C2D13E17 -42.3 3.19 -9.08 -0.96 0
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89416 49961525 2 NOC7H10 ABC7D10 -67.09 3.97 -9.06 0.16 0
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89417 49961529 1 N2O3C25H26 A2B3C25D26 -83.13 3.05 -8.66 -0.65 -1
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89418 49961541 1 ClNO3C15H19 ABC3D15E19 -101.94 3.7 0.0 0.0 0
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89419 49961547 1 FN3O4H14C21 AB3C4D14E21 4.95 8.49 -9.87 -1.69 0
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89420 49961557 1 N3O4C14H15 A3B4C14D15 -85.22 5.95 -9.77 -1.23 0
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89421 49961558 1 Cl2N2O4C13H14 A2B2C4D13E14 -138.97 2.84 -9.2 -1.35 0
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89422 49961616 1 O2N4H20C27 A2B4C20D27 121.59 2.43 -9.02 -1.33 0