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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427285 135156669 1 BrO3N4C24H33 AB3C4D24E33 -117.17 10.42 -8.5 -0.21 0
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427286 135156670 1 BrO3N4C24H33 AB3C4D24E33 -101.4 8.55 -9.08 -0.39 0
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427287 135156671 1 F2S2O7N9C48H59 A2B2C7D9E48F59 -286.37 3.83 -8.65 -0.97 -1
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427288 135156672 1 SF3O5N7C40H47 AB3C5D7E40F47 -225.2 5.89 0.0 0.0 0
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427289 135156673 1 SF3O5N7C40H48 AB3C5D7E40F48 -252.4 4.59 -7.91 -0.56 -1
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427290 135156674 1 S2F3O8N10C55H62 A2B3C8D10E55F62 -300.66 8.3 0.0 0.0 0
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427291 135156678 1 ClO7N8H19C20 AB7C8D19E20 -123.97 3.62 -9.33 -0.95 0
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427292 135156683 1 ClFSN4O5H26C29 ABCD4E5F26G29 -144.3 4.93 -8.83 -1.04 0
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427293 135156699 1 ClFN6O12H32C33 ABC6D12E32F33 -360.0 3.44 -9.34 -2.03 0
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427294 135156702 1 ClFSN4O7C25H28 ABCD4E7F25G28 -267.67 3.79 -8.97 -1.2 0
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427295 135156705 1 FCl2N4O5H17C24 AB2C4D5E17F24 -125.35 5.54 -10.05 -1.54 -1
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427296 135156708 1 SF3O5N7C36H39 AB3C5D7E36F39 -207.83 10.01 0.0 0.0 0
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427297 135156709 1 SF3O5N7C36H40 AB3C5D7E36F40 -224.04 5.59 -8.27 -1.04 0
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427298 135156721 1 ClO7N8C24H27 AB7C8D24E27 -144.13 6.13 -9.48 -1.12 0
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427299 135156722 1 ClFN5O9H23C27 ABC5D9E23F27 -307.44 9.15 -9.3 -1.05 0
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427300 135156740 1 SF3O5N6C33H35 AB3C5D6E33F35 -245.94 4.08 -8.22 -0.83 0
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427301 135156775 2 NOC10H16 ABC10D16 -113.3 1.72 -8.78 0.18 0
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427302 135156790 1 ON4C16H22 AB4C16D22 -9.97 2.35 -9.2 -0.61 0
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427303 135156794 1 ClFN6O8C22H22 ABC6D8E22F22 -293.2 1.2 -8.83 -0.98 0
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427304 135156799 1 O3H14C17 A3B14C17 -4.64 2.58 -9.13 -0.86 0
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427305 135156801 1 ClFN6O9H26C28 ABC6D9E26F28 -309.2 7.35 -9.06 -0.86 0
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427306 135156802 1 FNOSC13H18 ABCDE13F18 -80.11 5.43 -8.53 0.24 0
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427307 135156806 1 FNO2C10H12 ABC2D10E12 -128.89 4.85 -9.44 -0.62 0
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427308 135156811 1 NO3C12H15 AB3C12D15 -102.36 2.59 -9.15 -0.09 0
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427309 135156818 1 ClFN5O9C33H35 ABC5D9E33F35 -329.34 1.48 -9.19 -0.79 0
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427310 135156825 1 ClFO3N5C10H11 ABC3D5E10F11 -106.53 4.63 -9.54 -0.99 0
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427311 135156829 1 ClFN6O13C33H40 ABC6D13E33F40 -419.4 2.06 -9.34 -1.94 0
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427312 135156843 1 FO2N5C23H28 AB2C5D23E28 -20.09 4.73 -9.14 -0.76 0
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427313 135156913 1 ClF3O7N9H19C21 AB3C7D9E19F21 -289.41 5.19 -9.36 -1.17 0
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427314 135156936 1 ClOSN4C18H19 ABCD4E18F19 29.3 3.66 -8.46 -1.09 0
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427315 135156961 1 SN6O6C38H50 AB6C6D38E50 -195.15 3.05 -8.02 -0.87 0
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427316 135157003 1 O3C14H20 A3B14C20 -102.51 2.5 -9.31 0.38 0
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427317 135157006 1 SN2O4C7H10 AB2C4D7E10 -97.62 5.91 -10.39 -0.74 0
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427318 135157028 1 ClSO3N4C22H31 ABC3D4E22F31 -143.91 7.94 -9.41 -0.78 0
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427319 135157069 1 ClO7N8C43H45 AB7C8D43E45 -163.92 13.3 -8.34 -1.5 0
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427320 135157074 1 F2N3O9C36H37 A2B3C9D36E37 -352.32 6.26 -8.62 -0.95 0
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427321 135157120 1 ClFN5O6C30H37 ABC5D6E30F37 -237.9 1.64 -8.96 -1.07 0
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427322 135157137 1 ClFSN7O11C58H65 ABCD7E11F58G65 -356.67 6.15 -8.61 -1.12 0
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427323 135157159 1 SF2N7O11C58H65 AB2C7D11E58F65 -408.32 7.76 -8.72 -1.02 0
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427324 135157189 1 BrN2O3C18H27 AB2C3D18E27 -132.4 1.57 -8.07 -0.12 0
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427325 135157190 2 NC7H8 AB7C8 51.99 3.08 -8.05 -0.2 0
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427326 135157199 1 ClSN8O8C49H57 ABC8D8E49F57 -229.12 4.17 -8.42 -1.03 0
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427327 135157210 1 ClFN3O9C27H33 ABC3D9E27F33 -344.21 7.8 -8.93 -1.24 0
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427328 135157212 1 OSN2C13H16 ABC2D13E16 -15.9 3.26 -8.7 -0.41 0
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427329 135157213 1 FSN4O6C31H37 ABC4D6E31F37 -241.01 8.67 -8.37 -0.43 0
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427330 135157226 2 NO3C9H17 AB3C9D17 -284.28 7.0 -8.54 0.48 0
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427331 135157227 1 FSN6O10H37C41 ABC6D10E37F41 -287.84 5.96 -9.26 -1.48 0
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427332 135157243 1 PF2N4O7C26H29 AB2C4D7E26F29 -366.94 6.29 -8.39 -0.32 1
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427333 135157245 1 SN4O4C27H33 AB4C4D27E33 -72.33 1.7 0.0 0.0 0
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427334 135157246 1 NO4H19C23 AB4C19D23 -75.34 4.72 -8.51 -0.66 0
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427335 135157280 1 ON4H12C14 AB4C12D14 59.81 2.61 -9.12 -1.21 0
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427336 135157285 1 O3N6C25H26 A3B6C25D26 -1.62 9.05 -8.67 -1.0 0
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427337 135157317 1 SF6O8C29H34 AB6C8D29E34 -668.05 2.21 -10.46 -1.49 0
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427338 135157318 1 SO12F18H20C24 AB12C18D20E24 -1446.27 10.7 -11.59 -2.54 0
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427339 135157329 1 NH23C28 AB23C28 153.27 1.62 -8.19 -0.58 0
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427340 135157337 1 ClFO3N4H20C23 ABC3D4E20F23 -45.98 6.88 -9.77 -0.89 0
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427341 135157373 1 NOH25C32 ABC25D32 86.9 1.65 -8.39 -0.2 0
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427342 135157409 1 N3H29C40 A3B29C40 219.17 4.38 -8.21 -0.93 0
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427343 135157438 1 NOC13H15 ABC13D15 19.41 1.2 -8.26 0.0 0
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427344 135157442 1 ClSO2N3C24H24 ABC2D3E24F24 0.38 4.26 -8.4 -0.98 0
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427345 135157443 1 NO2S2H3C4 AB2C2D3E4 -60.73 2.24 -9.43 -1.46 0
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427346 135157445 1 SO2C19H32 AB2C19D32 -131.15 6.01 -9.47 -0.18 0
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427347 135157450 1 ON6C24H28 AB6C24D28 86.72 3.5 -8.7 -0.95 0
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427348 135157485 1 SO3N6C27H36 AB3C6D27E36 24.56 4.12 -6.74 -0.96 0
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427349 135157486 1 FO3N6C23H25 AB3C6D23E25 -23.52 3.98 -8.56 -0.99 0
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427350 135157487 1 FO3N7C26H30 AB3C7D26E30 -29.7 7.23 -8.79 -0.64 0
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427351 135157488 1 BrClOSN2C10H18 ABCDE2F10G18 -5.09 5.31 -7.29 -0.12 0
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427352 135157522 1 N3O3C24H29 A3B3C24D29 -75.66 2.18 -8.66 -0.76 0
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427353 135157527 1 NO5C27H43 AB5C27D43 -265.26 3.59 -8.78 -0.54 0
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427354 135157528 1 N2O7C29H56 A2B7C29D56 -413.59 4.41 -9.78 0.86 0
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427355 135157552 1 N2S3O7C37H40 A2B3C7D37E40 -170.2 11.68 -6.48 -1.39 0
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427356 135157573 1 SN2O7C22H38 AB2C7D22E38 -365.66 3.68 -9.26 -0.15 0
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427357 135157577 1 N5H17C19 A5B17C19 97.75 7.57 -8.31 -0.63 0
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427358 135157586 1 SN4O21C63H112 AB4C21D63E112 -1039.92 5.57 -9.06 0.05 0
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427359 135157628 1 NO2C16H25 AB2C16D25 -87.98 3.44 -8.7 0.34 0