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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51335 12013982 1 O3H58C69 A3B58C69 215.71 3.63 -8.58 -0.68 0
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51336 12013983 1 N3O3C23H23 A3B3C23D23 64.79 4.61 -8.42 -0.53 0
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51337 12013984 2 NO2H10C11 AB2C10D11 22.66 3.77 -8.83 -0.64 0
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51338 12013986 1 ClN2O3H17C21 AB2C3D17E21 56.76 3.38 -8.94 -0.79 0
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51339 12013987 1 BrN2O3H17C21 AB2C3D17E21 68.94 3.5 -8.95 -0.8 0
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51340 12013988 1 ClN2O3H17C21 AB2C3D17E21 56.87 3.09 -8.91 -0.79 0
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51341 12013991 2 NO2H10C11 AB2C10D11 21.2 2.65 -9.06 -0.81 0
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51342 12013994 1 BrN2O3H17C21 AB2C3D17E21 65.67 2.27 -9.02 -0.97 0
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51343 12013996 1 N2O5H20C23 A2B5C20D23 -21.6 1.68 -9.07 -1.0 0
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51344 12013997 1 SN4H20C27 AB4C20D27 179.01 8.23 -8.87 -1.35 0
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51345 12013998 1 SN4H18C23 AB4C18D23 159.72 7.93 -9.05 -1.18 0
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51346 12013999 1 SN5H15C21 AB5C15D21 177.31 6.36 -9.06 -1.43 0
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51347 12014001 1 OSN4H18C23 ABC4D18E23 131.77 7.95 -9.02 -1.33 0
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51348 12014002 1 NO5H17C21 AB5C17D21 -93.77 6.63 -8.4 -0.93 0
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51349 12014003 1 NO5H17C21 AB5C17D21 -103.06 1.64 -8.35 -0.95 0
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51350 12014004 1 NO6H19C22 AB6C19D22 -132.72 4.03 -8.25 -0.84 0
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51351 12014005 1 O4C13H24 A4B13C24 -194.75 2.35 -9.21 1.29 0
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51352 12014006 5 OC4H6 AB4C6 -203.99 1.23 -9.34 0.3 0
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51353 12014007 2 O3C10H14 A3B10C14 -249.91 2.24 -9.27 -0.62 0
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51354 12014008 1 O5C21H32 A5B21C32 -208.46 1.49 -9.17 0.26 0
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51355 12014009 3 O2C7H10 A2B7C10 -252.61 2.45 -9.36 -0.51 0
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51356 12014010 1 O4C17H24 A4B17C24 -155.76 1.81 -9.31 0.24 0
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51357 12014011 1 NO3C36H45 AB3C36D45 -105.49 3.48 -9.15 -0.86 0
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51358 12014012 1 NO3C44H57 AB3C44D57 -125.3 6.06 -9.14 -0.98 0
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51359 12014013 2 O3C43H60 A3B43C60 -316.02 1.19 -8.59 -0.38 0
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51360 12014014 1 FeO15C39H46 AB15C39D46 -400.57 17.99 -7.28 -1.51 0
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51361 12014016 1 FePO12H51C52 ABC12D51E52 -132.35 5.69 -6.86 -1.51 0
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51362 12014017 2 O5C16H16 A5B16C16 -276.66 2.41 -8.5 -1.87 0
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51363 12014018 1 FeO13C35H38 AB13C35D38 -313.74 4.4 -6.79 -1.32 0
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51364 12014019 1 OS2C12H14 AB2C12D14 7.66 3.68 -8.77 -0.8 0
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51365 12014020 1 SO2C13H16 AB2C13D16 -36.67 2.72 -8.64 -0.65 0
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51366 12014021 1 SO2C13H16 AB2C13D16 -58.45 3.56 -8.82 0.18 0
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51367 12014022 1 SO2C12H14 AB2C12D14 -62.39 3.3 -8.95 0.04 0
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51368 12014023 1 SC11H12 AB11C12 43.7 3.26 -8.7 -0.7 0
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51369 12014024 1 SSiO3C20H34 ABC3D20E34 -206.79 1.94 -8.97 -0.39 0
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51370 12014025 1 SSiO3C20H34 ABC3D20E34 -205.49 4.43 -8.94 -0.55 0
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51371 12014026 1 SO3C22H28 AB3C22D28 -120.27 2.24 -8.6 -0.07 0
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51372 12014027 1 SO2C22H26 AB2C22D26 -63.88 3.33 -9.01 -0.42 0
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51373 12014029 1 SO2C22H26 AB2C22D26 -64.13 3.82 -8.99 -0.43 0
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51374 12014030 1 SO3C16H22 AB3C16D22 -139.37 2.07 -8.65 -0.18 0
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51375 12014031 1 SO3C16H22 AB3C16D22 -141.26 2.99 -8.45 0.0 0
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51376 12014032 1 SO3C16H22 AB3C16D22 -137.63 3.11 -8.24 -0.01 0
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51377 12014033 1 SO3C16H22 AB3C16D22 -138.02 5.01 -8.75 -0.22 0
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51378 12014034 1 SO3C16H22 AB3C16D22 -135.21 1.2 -8.93 -0.28 0
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51379 12014035 1 SO3C24H28 AB3C24D28 -107.05 1.72 -8.75 -0.22 0
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51380 12014036 1 SO3C24H28 AB3C24D28 -107.98 1.8 -8.83 -0.29 0
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51381 12014037 1 SO3C22H26 AB3C22D26 -104.7 4.67 -8.86 -0.4 0
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51382 12014039 2 BrO3C21H27 AB3C21D27 -255.91 4.48 -9.71 -0.83 0
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51383 12014040 1 SO2C48H58 AB2C48D58 -50.07 0.94 -8.76 -0.66 0
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51384 12014041 1 SO2C60H66 AB2C60D66 0.74 3.84 -8.59 -0.26 0