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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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304944 124766342 1 N2O5C22H22 A2B5C22D22 -164.55 3.37 -9.2 -0.17 0
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304945 124766344 1 O4N6C19H20 A4B6C19D20 -55.18 12.73 -8.9 -0.98 0
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304949 124766350 1 O2N3C23H25 A2B3C23D25 -13.79 4.35 -9.26 -0.25 0
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304951 124766352 1 N2O7C28H34 A2B7C28D34 -245.28 3.94 -8.35 -0.08 0
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304952 124766353 1 N2O7C28H34 A2B7C28D34 -262.0 5.0 -8.44 -0.15 0
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304953 124766354 1 ClSN2O4C19H23 ABC2D4E19F23 -144.38 1.45 -8.69 -0.37 0
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304954 124766355 1 ClSN2O4C19H23 ABC2D4E19F23 -166.17 3.48 -8.55 -0.5 0
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304955 124766356 1 N2O6C23H26 A2B6C23D26 -164.61 1.73 -8.23 -0.29 0
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304956 124766357 1 N2O5C18H22 A2B5C18D22 -169.75 2.11 -8.89 -0.16 0
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304957 124766358 1 N3O4C25H37 A3B4C25D37 -183.88 3.6 -9.65 -0.14 0
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304958 124766359 1 N3O4C25H37 A3B4C25D37 -170.63 7.13 -9.41 -0.12 0
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304960 124766361 1 N4O5C31H38 A4B5C31D38 -71.56 6.31 -8.88 -0.86 0
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304961 124766362 1 N2O7C27H30 A2B7C27D30 -246.47 7.84 -8.71 -0.57 0
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304969 124766373 1 N2O7C27H30 A2B7C27D30 -226.24 6.59 -8.67 -0.52 0
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304970 124766374 1 N2O7C27H30 A2B7C27D30 -240.58 7.3 -8.68 -0.54 0
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304971 124766375 1 N2O5C15H18 A2B5C15D18 -164.88 3.35 -9.73 -0.09 0
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304972 124766376 1 N2O5C15H18 A2B5C15D18 -176.74 3.81 -9.72 -0.22 0
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304973 124766377 1 N2O5C17H20 A2B5C17D20 -188.71 4.14 -9.08 -0.17 0
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304974 124766378 1 N2O5C17H20 A2B5C17D20 -168.94 0.91 -8.91 -0.15 0
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304975 124766379 1 FN2O4C17H19 AB2C4D17E19 -192.59 3.09 -9.86 -0.46 0
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304976 124766380 1 FN2O4C17H19 AB2C4D17E19 -180.39 0.4 -9.94 -0.42 0
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304977 124766381 1 N2O5C20H20 A2B5C20D20 -136.4 1.59 -9.09 -0.27 0
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304978 124766382 1 N2O5C20H20 A2B5C20D20 -156.48 4.21 -9.22 -0.31 0
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304980 124766384 1 N4O5C24H34 A4B5C24D34 -155.2 8.78 -8.89 -0.4 0
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304981 124766385 1 ClN2O4C18H21 AB2C4D18E21 -160.44 3.45 -9.65 -0.53 0
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304982 124766386 1 ClN2O4C18H21 AB2C4D18E21 -145.44 3.19 -9.72 -0.56 0
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304983 124766388 2 NO3H13C14 AB3C13D14 -165.19 3.08 -8.89 -0.19 0
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304984 124766389 1 FN2O4C17H19 AB2C4D17E19 -202.95 4.11 -9.7 -0.55 0
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304987 124766400 1 N3O4C21H21 A3B4C21D21 -68.34 4.58 -8.64 -0.29 0
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304988 124766401 1 N3O4C21H21 A3B4C21D21 -73.96 1.3 -8.51 -0.41 0
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304989 124766402 1 S2N3O6C25H33 A2B3C6D25E33 -215.28 6.26 -8.76 -1.48 0
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304990 124766403 1 S2N3O6C25H33 A2B3C6D25E33 -214.78 6.44 -8.76 -1.51 0
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304991 124766404 1 N3O4C25H29 A3B4C25D29 -99.27 4.35 -9.61 -0.27 0
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304992 124766405 1 N3O4C25H29 A3B4C25D29 -99.78 7.61 -9.5 0.09 0
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304993 124766406 1 N3O4C25H29 A3B4C25D29 -101.36 1.29 -9.7 -0.03 0
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304994 124766407 1 N3O4C25H29 A3B4C25D29 -100.85 5.05 -9.62 0.05 0
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304995 124766408 1 N3O4C25H29 A3B4C25D29 -96.58 3.59 -9.54 0.0 0
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304996 124766409 1 N3O4C25H29 A3B4C25D29 -98.33 2.5 -9.58 -0.06 0
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304999 124766412 1 FO5N6C28H33 AB5C6D28E33 -139.15 1.74 -8.73 -0.41 0
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305000 124766413 1 FO5N6C28H33 AB5C6D28E33 -137.79 6.82 -8.94 -0.72 0
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305001 124766414 2 NO3H13C14 AB3C13D14 -170.45 2.73 -8.97 -0.38 0
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305002 124766415 2 NO3H13C14 AB3C13D14 -151.55 4.11 -8.92 -0.11 0
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305003 124766416 4 NO3C7H7 AB3C7D7 -352.42 10.96 -9.16 -1.76 0
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305004 124766417 4 NO3C7H7 AB3C7D7 -358.87 10.79 -9.19 -1.76 0
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305005 124766418 4 NO3C7H7 AB3C7D7 -355.72 8.16 -9.19 -1.78 0
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305006 124766419 4 NO3C7H7 AB3C7D7 -355.8 7.98 -9.24 -1.82 1
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305007 124766420 1 NO3C18H36 AB3C18D36 -147.07 3.47 0.0 0.0 1
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305008 124766421 1 NO3C18H36 AB3C18D36 -148.08 3.55 0.0 0.0 0
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305012 124766426 1 ON2C18H22 AB2C18D22 -2.25 2.48 -7.92 0.28 0
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305013 124766427 1 N2O9C17H20 A2B9C17D20 -301.79 11.0 -9.24 -0.93 0