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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82332 49855900 1 N2O3C20H30 A2B3C20D30 -110.62 5.8 -8.88 -0.24 0
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82333 49855901 1 O3N4C23H36 A3B4C23D36 -105.74 2.78 -8.88 -0.39 0
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82334 49855902 1 SO2N3C25H35 AB2C3D25E35 -45.65 6.41 -8.51 -0.64 0
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82335 49855903 1 O3F6N7H15C22 A3B6C7D15E22 -250.46 12.98 -9.1 -1.61 0
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82336 49855905 1 ClO3N7C22H22 AB3C7D22E22 1.34 8.98 -8.51 -1.5 0
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82337 49855906 1 ClO2N7H14C19 AB2C7D14E19 95.82 9.47 -8.52 -1.61 0
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82338 49855907 1 O2N7H11C15 A2B7C11D15 72.61 8.38 -9.01 -1.68 0
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82339 49855909 1 F2N3O4H25C27 A2B3C4D25E27 -179.64 5.95 -9.21 -1.29 0
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82340 49855910 1 SiO5N6C32H36 AB5C6D32E36 -65.29 7.83 -8.91 -1.26 0
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82341 49855912 1 O3N7H25C27 A3B7C25D27 61.58 9.65 -9.46 -1.51 0
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82342 49855913 1 O3N6H26C28 A3B6C26D28 34.9 3.81 -9.36 -1.44 0
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82343 49855915 1 SN3O3H31C37 AB3C3D31E37 14.3 4.29 -9.04 -1.11 0
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82344 49855916 1 SO3N4H28C33 AB3C4D28E33 14.76 2.0 -8.82 -1.06 0
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82345 49855917 1 S2N3O3H25C29 A2B3C3D25E29 -8.52 6.84 -8.97 -1.06 0
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82346 49855918 1 SO3N5H27C33 AB3C5D27E33 48.48 4.97 -9.06 -1.14 0
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82347 49855919 1 OF2N4H18C20 AB2C4D18E20 -65.71 0.9 -9.02 -0.49 0
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82348 49855921 1 F2O2N4H20C21 A2B2C4D20E21 -101.76 9.24 -8.86 -0.98 0
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82349 49855922 1 NSiO6C27H41 ABC6D27E41 -279.34 5.51 -9.01 0.2 0
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82350 49855923 1 Br2O3H16C19 A2B3C16D19 -56.44 6.78 -8.34 -0.73 0
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82351 49855924 1 NSiBr2O8C46H55 ABC2D8E46F55 -208.22 2.5 -8.4 -0.76 0
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82352 49855925 1 NSiO8C46H55 ABC8D46E55 -253.34 3.93 -8.03 -0.09 0
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82353 49855926 3 O2C7H10 A2B7C10 -271.51 5.02 -9.98 0.3 0
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82354 49855928 1 N2O4C27H36 A2B4C27D36 -150.95 0.8 -8.85 0.27 0
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82355 49855930 1 SN2O5C32H36 AB2C5D32E36 -132.1 4.94 -8.54 -0.86 0
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82356 49855931 1 BrCl2O2H13C15 AB2C2D13E15 -52.72 2.38 -9.05 -0.57 0
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82357 49855932 1 O3C14H20 A3B14C20 -113.15 4.15 -9.78 -0.15 0
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82358 49855933 1 O3C13H18 A3B13C18 -118.15 5.66 -10.16 -0.37 0
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82359 49855934 1 BrNO5C16H20 ABC5D16E20 -208.83 2.58 -9.98 -0.71 0
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82360 49855937 1 Cl2O4H10C11 A2B4C10D11 -136.24 6.42 -9.41 -0.52 0
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82361 49855938 1 ClO4H9C11 AB4C9D11 -122.54 4.92 -9.52 -0.56 0
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82362 49855939 1 BrFNO2H5C8 ABCD2E5F8 -16.93 4.15 -10.24 -1.42 0
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82363 49855940 1 N4C17H26 A4B17C26 27.47 3.12 -8.5 -0.26 0
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82364 49855943 1 SO4N5C29H41 AB4C5D29E41 -105.18 7.81 -8.38 -0.68 0
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82365 49855944 1 SO4N5C26H35 AB4C5D26E35 -97.74 6.78 -8.87 -0.69 0
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82366 49855946 1 SO3N4C34H36 AB3C4D34E36 -54.71 11.67 -8.46 -0.82 0
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82367 49855947 1 SN4O4C34H36 AB4C4D34E36 -90.65 8.33 -8.66 -1.04 0
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82368 49855948 1 N5O5H29C30 A5B5C29D30 -96.3 6.12 -8.59 -0.9 0
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82369 49855949 1 ClFO2N5H27C36 ABC2D5E27F36 40.59 7.77 -8.6 -1.12 0
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82370 49855950 1 ClFO2N5H27C36 ABC2D5E27F36 40.25 4.19 -8.6 -1.15 0
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82371 49855951 1 ClFO2N5H29C36 ABC2D5E29F36 11.19 3.26 -8.63 -1.06 0
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82372 49855953 1 ClFSO3N4H18C26 ABCD3E4F18G26 -2.64 4.28 -8.69 -1.61 0
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82373 49855954 1 NO6C25H25 AB6C25D25 -152.18 8.42 -8.33 -0.18 0
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82374 49855955 1 NO7C25H25 AB7C25D25 -195.08 7.16 -8.4 -0.46 0
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82375 49855956 1 N2O6C25H26 A2B6C25D26 -151.35 6.68 -8.35 -0.2 0
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82376 49855957 1 N2O5C25H26 A2B5C25D26 -108.92 4.95 -8.33 -0.06 0
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82377 49855958 1 N2O5C25H26 A2B5C25D26 -105.05 6.32 -8.23 -0.19 0
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82378 49855960 1 BN2O6C20H33 AB2C6D20E33 -364.09 2.69 -9.04 -0.04 0
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82379 49855961 1 BClFO2C18H23 ABCD2E18F23 -200.83 3.96 -9.48 0.06 0
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82380 49855962 1 BClFO2C18H23 ABCD2E18F23 -202.68 4.1 -9.57 0.05 0
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82381 49855963 1 BClO2C19H26 ABC2D19E26 -162.05 3.12 -9.08 0.46 0
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82382 49855964 1 BClO2C19H26 ABC2D19E26 -162.9 2.87 -9.15 0.47 0
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82383 49855965 1 BClO2C18H30 ABC2D18E30 -201.58 3.36 -10.07 0.84 0
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82384 49855966 1 BFNO2Si2C24H41 ABCD2E2F24G41 -247.93 4.14 -8.39 0.17 0
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82385 49855967 1 BN2O4C32H43 AB2C4D32E43 -231.09 8.07 -9.36 0.15 0
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82386 49855968 1 BFN3O4C30H39 ABC3D4E30F39 -257.81 10.58 -9.74 -0.38 0
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82387 49855969 1 BFN3O4C30H39 ABC3D4E30F39 -259.7 8.34 -9.79 -0.4 0
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82388 49855970 1 BFN3O4C30H39 ABC3D4E30F39 -259.5 8.63 -9.78 -0.33 0
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82389 49855971 1 BrCl2O10C20H21 AB2C10D20E21 -436.85 6.09 -9.44 -0.67 0
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82390 49855972 1 ClO12C28H29 AB12C28D29 -495.02 4.36 -9.21 -0.92 0
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82391 49855973 1 ClO12C28H29 AB12C28D29 -499.49 5.25 -9.35 -0.82 0
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82392 49855974 2 ClO6C14H14 AB6C14D14 -503.79 1.36 -9.68 -1.13 0
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82393 49855975 2 ClO6C14H14 AB6C14D14 -505.19 8.38 -9.29 -0.75 0
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82394 49855976 1 O3N5C17H17 A3B5C17D17 4.48 8.58 -9.27 -0.92 0
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82395 49855977 2 NC8H9 AB8C9 66.2 2.0 -8.86 -0.42 0
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82396 49855978 2 NC6H8 AB6C8 48.56 1.71 -9.01 0.25 0
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82397 49855979 1 N2C13H18 A2B13C18 45.49 2.29 -8.88 0.46 0
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82398 49855980 2 NC6H11 AB6C11 0.39 2.23 -8.85 2.23 0
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82399 49855982 1 ClN2C12H15 AB2C12D15 38.24 1.38 -9.15 -0.18 0
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82400 49855985 2 FNC6H7 ABC6D7 -47.89 1.26 -9.23 -0.48 0
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82401 49855987 1 BrO2N3H6C12 AB2C3D6E12 85.08 6.23 -9.88 -2.41 0
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82402 49855989 1 OCl2N2H8C13 AB2C2D8E13 32.51 1.69 -8.92 -1.93 0
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82403 49855990 1 BrOCl2N2H7C13 ABC2D2E7F13 35.72 2.47 -9.15 -2.13 0
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82404 49855991 1 BrON2H13C15 ABC2D13E15 29.68 2.95 -8.66 -1.38 0
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82405 49855992 1 OBr2N2H12C15 AB2C2D12E15 32.52 6.74 -8.76 -1.69 0
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82406 49855993 1 ON2H12C17 AB2C12D17 68.39 2.82 -8.49 -1.83 0
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82407 49855994 1 N2O2H10C13 A2B2C10D13 2.56 6.05 -9.24 -0.93 0
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82408 49855995 2 NO2C9H9 AB2C9D9 -105.94 6.64 -9.48 -1.13 0
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82409 49855997 2 NO2C9H9 AB2C9D9 -110.33 5.23 -9.4 -1.3 0
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82410 49855999 2 NO2C9H9 AB2C9D9 -107.88 6.65 -9.7 -1.15 0
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82411 49856000 1 N2O2H10C13 A2B2C10D13 -2.63 4.44 -9.31 -1.03 0
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82412 49856002 1 N2O7C21H22 A2B7C21D22 -240.01 3.68 -8.98 -0.8 0
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82413 49856003 1 O3N5C29H29 A3B5C29D29 -40.23 3.57 -9.01 -0.64 0
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82414 49856005 4 NOC4H4 ABC4D4 -122.3 10.43 -9.41 -0.72 0
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82415 49856006 1 FON2H7C9 ABC2D7E9 9.09 3.21 -9.39 -1.34 0
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82416 49856007 1 FN2C13H17 AB2C13D17 -19.61 4.45 -8.43 -0.14 0
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82417 49856009 1 FN2C12H15 AB2C12D15 -19.8 2.59 -8.58 -0.29 0
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82418 49856010 1 FN2C13H17 AB2C13D17 -21.07 4.07 -8.26 0.0 0
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82419 49856011 1 NOC15H27 ABC15D27 -81.2 3.31 -8.89 0.79 4
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82421 49856013 1 SN5O9C39H47 AB5C9D39E47 -298.48 8.65 -9.07 -1.06 0
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82422 49856014 1 SN5O9C40H49 AB5C9D40E49 -308.88 8.62 -9.02 -0.8 0
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82423 49856015 1 SF2N5O9C39H45 AB2C5D9E39F45 -402.58 5.0 -8.98 -0.75 0
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82424 49856016 1 SF2N5O9C41H53 AB2C5D9E41F53 -429.19 4.61 -9.29 -0.62 0
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82425 49856017 1 SF2N4O9C42H54 AB2C4D9E42F54 -435.14 10.13 -9.07 -0.37 0
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82426 49856018 1 SF4N5O8C35H47 AB4C5D8E35F47 -510.87 11.67 -9.85 -0.71 0
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82430 49856022 2 NO2C19H33 AB2C19D33 -249.81 2.23 -8.82 1.72 0
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82431 49856023 2 NO3C19H31 AB3C19D31 -337.11 3.69 -9.49 0.75 0
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82432 49856024 1 SN2O5C24H24 AB2C5D24E24 -100.64 5.64 -9.1 -0.73 0
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82433 49856025 1 ClSO2N3H20C21 ABC2D3E20F21 13.81 3.0 -8.75 -0.77 0
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82434 49856026 1 N2O2C19H20 A2B2C19D20 11.59 4.88 -9.14 -0.52 0
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82435 49856027 1 PN5O10C45H50 AB5C10D45E50 -397.44 4.17 -9.1 -0.69 0