List Systems

Back
Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
112265 50400271 1 FN6O6C41H49 AB6C6D41E49 -259.79 8.97 -8.66 -0.47 0
112266 50400272 1 F2O5N6C40H46 A2B5C6D40E46 -259.99 4.65 -8.7 -0.81 0
112267 50400273 1 FO5N6C41H49 AB5C6D41E49 -230.13 4.67 -8.7 -0.38 0
112268 50400274 1 FO5N6C41H49 AB5C6D41E49 -215.91 15.16 -8.89 -0.8 0
112269 50400275 1 FO5N6C41H49 AB5C6D41E49 -225.58 10.88 -8.74 -0.72 0
112270 50400276 1 FO5N6C40H47 AB5C6D40E47 -215.33 2.88 -8.76 -0.33 0
112271 50400277 1 F2O5N6C40H46 A2B5C6D40E46 -268.24 4.47 -8.78 -0.71 0
112272 50400278 1 F2O5N6C40H46 A2B5C6D40E46 -263.25 1.51 -8.87 -0.74 0
112273 50400279 1 O5N6C28H36 A5B6C28D36 -191.37 4.7 -8.72 -0.68 0
112274 50400280 1 FO5N6C34H39 AB5C6D34E39 -215.23 3.78 -8.94 -0.83 0
112275 50400281 1 F2O5N6C33H36 A2B5C6D33E36 -252.1 3.52 -9.07 -1.01 0
112276 50400282 1 F2O5N6C33H36 A2B5C6D33E36 -250.84 6.85 -9.01 -0.88 0
112277 50400283 1 FO5N6C34H39 AB5C6D34E39 -220.82 6.91 -8.89 -0.6 0
112278 50400284 1 FO5N6C34H39 AB5C6D34E39 -223.97 4.23 -8.74 -0.52 0
112279 50400285 1 BrO5N6C28H35 AB5C6D28E35 -189.99 6.31 -8.92 -0.68 0
112280 50400286 1 O5N6C39H48 A5B6C39D48 -173.39 8.68 -8.87 -0.32 0
112281 50400317 1 FO5N6C36H43 AB5C6D36E43 -231.87 8.46 -8.29 -0.38 0
112282 50400318 1 ClFO5N6C40H42 ABC5D6E40F42 -198.21 8.39 -8.69 -0.81 0
112283 50400353 1 ClO5N6C40H53 AB5C6D40E53 -226.84 8.59 -9.2 -0.6 0
112284 50400413 1 O5N6C39H54 A5B6C39D54 -221.94 7.38 -8.42 -0.22 0
112285 50400414 1 ClO3N4C27H35 AB3C4D27E35 -120.9 4.61 -8.76 -0.41 0
112286 50400415 2 N2O2C14H19 A2B2C14D19 -148.92 11.62 -7.85 -0.32 0
112287 50400420 1 FO5N6C42H47 AB5C6D42E47 -203.1 3.45 -8.25 -0.39 0
112288 50400421 1 FO5N6C41H45 AB5C6D41E45 -196.93 5.2 -8.44 -0.4 0
112289 50400422 1 F2O5N6C41H44 A2B5C6D41E44 -236.4 5.15 -8.84 -0.7 0
112290 50400423 1 F2O5N6C41H44 A2B5C6D41E44 -244.42 8.38 -8.33 -0.71 0
112291 50400435 1 FN5O6C35H42 AB5C6D35E42 -251.71 5.01 -8.04 -0.31 0
112292 50400468 1 ClO5N6C40H53 AB5C6D40E53 -224.72 11.81 -8.69 -0.22 0
112293 50400469 1 ClO5N6C41H49 AB5C6D41E49 -194.11 6.86 -8.47 -0.42 0
112294 50400517 1 FO5N6C36H43 AB5C6D36E43 -232.17 7.46 -8.3 -0.29 0
112295 50400546 1 ClFO5N6C37H44 ABC5D6E37F44 -244.63 7.3 -8.82 -0.97 0
112296 50400547 1 ClFO5N6C40H48 ABC5D6E40F48 -235.61 7.1 -8.85 -0.61 0
112297 50400548 1 ClFO5N6C37H44 ABC5D6E37F44 -234.85 6.93 -8.73 -0.61 0
112299 50400550 1 ClFO5N6C38H44 ABC5D6E38F44 -226.44 10.26 -9.13 -0.77 0
112300 50400822 1 F3O5N6C40H41 A3B5C6D40E41 -278.11 5.83 -8.8 -0.88 0
112301 50400970 1 O5N6C37H50 A5B6C37D50 -214.87 10.97 -8.79 -0.41 0
112302 50401216 1 F2O5N6C41H44 A2B5C6D41E44 -241.59 9.33 -8.92 -0.6 0
112303 50401367 1 O5N6C40H50 A5B6C40D50 -182.99 6.41 -8.68 -0.89 0
112304 50401368 1 FO5N6C39H47 AB5C6D39E47 -226.43 11.39 -8.85 -0.54 0
112305 50401395 1 ClO5N6C39H47 AB5C6D39E47 -183.46 6.53 -8.71 -0.36 0
112306 50401400 1 ClO5N6C33H43 AB5C6D33E43 -214.66 5.06 -8.31 -0.22 0
112307 50401589 1 ClO5N6C34H45 AB5C6D34E45 -202.02 6.16 -8.7 -0.48 0
112308 50401639 2 N3O3C19H25 A3B3C19D25 -235.45 7.36 -8.65 -0.62 0
112309 50401721 1 ClFN5O5C34H39 ABC5D5E34F39 -223.37 7.57 -8.48 -0.29 0
112310 50401722 1 FO4N5C36H44 AB4C5D36E44 -187.98 7.8 -8.96 -0.32 0
112311 50401723 1 ClFO4N5C33H37 ABC4D5E33F37 -176.0 7.33 -8.94 -0.56 0
112312 50401790 1 ClF4O4N5C33H34 AB4C4D5E33F34 -333.73 2.57 -8.98 -1.23 0
112313 50401791 1 F4N5O5C33H35 A4B5C5D33E35 -368.05 6.65 -8.92 -0.88 0
112314 50401792 1 F2O4N5C32H35 A2B4C5D32E35 -210.36 9.01 -9.1 -0.44 0
112315 50401848 1 N5O5C31H41 A5B5C31D41 -194.73 5.56 -8.79 -0.25 0
112316 50401872 1 O4N5C34H49 A4B5C34D49 -183.67 7.42 -8.52 -0.59 0
112317 50401929 1 F2N6O6C41H48 A2B6C6D41E48 -305.27 7.25 -8.84 -0.88 0
112318 50401930 2 FN3O3C21H25 AB3C3D21E25 -299.89 2.17 -8.62 -0.63 0
112319 50401931 1 F2N6O6C43H52 A2B6C6D43E52 -318.11 6.36 -8.71 -0.67 0
112320 50402035 1 F3O5N6C41H41 A3B5C6D41E41 -268.87 7.81 -9.04 -0.64 0
112321 50402116 1 F2O5N6C42H44 A2B5C6D42E44 -232.56 10.47 -8.7 -0.61 0
112322 50402258 1 N5O5C32H37 A5B5C32D37 -161.94 5.2 -8.18 -0.25 0
112323 50402259 1 FN5O5C31H34 AB5C5D31E34 -195.28 6.63 -8.18 -0.46 0
112324 50402357 1 ClF2O5N6C41H47 AB2C5D6E41F47 -284.88 3.62 -8.64 -0.65 0
112325 50402420 1 FO5N6C40H49 AB5C6D40E49 -234.03 2.92 -8.96 -0.42 0
112326 50402431 1 FN6O6C40H43 AB6C6D40E43 -213.37 13.26 -8.51 -1.13 0
112327 50402447 1 ClF2O5N6C41H47 AB2C5D6E41F47 -273.96 7.59 -9.1 -0.65 0
112328 50402491 1 FO5N6C36H49 AB5C6D36E49 -269.82 6.93 -8.61 -0.71 0
112329 50402492 1 FN6O6C37H45 AB6C6D37E45 -261.4 12.63 -8.63 -0.68 0
112330 50402493 1 F2O5N6C36H42 A2B5C6D36E42 -266.54 7.19 -8.76 -0.89 0
112331 50402494 1 FO5N6C37H45 AB5C6D37E45 -229.61 4.45 -8.76 -0.38 0
112332 50402495 1 FO5N6C37H45 AB5C6D37E45 -230.8 9.75 -8.65 -0.69 0
112333 50402941 1 ClF2O5N6C40H45 AB2C5D6E40F45 -267.0 8.48 -9.06 -0.61 0
112334 50402950 1 F2N6O6C43H46 A2B6C6D43E46 -280.27 8.2 -8.22 -0.57 0
112335 50403167 1 ClFO4N5C37H37 ABC4D5E37F37 -150.28 5.32 -8.99 -0.77 0
112336 50403168 1 ClFO4N5C38H39 ABC4D5E38F39 -153.6 6.92 -8.95 -1.04 0
112337 50403208 1 F3O5N6C42H43 A3B5C6D42E43 -269.86 4.64 -8.96 -1.06 0
112338 50403256 1 ClF3O4N5C32H41 AB3C4D5E32F41 -339.45 9.62 -9.31 -0.7 0
112339 50403257 1 N5O5C32H45 A5B5C32D45 -208.76 3.28 -8.3 -0.17 0
112340 50403357 1 ClFO4N5C38H39 ABC4D5E38F39 -155.42 3.84 -8.47 -0.78 0
112341 50403491 1 FO5N6C37H45 AB5C6D37E45 -226.0 2.12 -8.89 -0.34 0
112342 50403497 1 FN6O6C37H45 AB6C6D37E45 -257.65 4.25 -8.69 -0.4 0
112343 50403499 1 FN6O6C41H51 AB6C6D41E51 -272.82 10.89 -8.5 -0.8 0
112344 50403500 1 FN6O6C38H47 AB6C6D38E47 -268.54 4.41 -8.88 -0.5 0
112345 50403501 1 FN6O6C39H49 AB6C6D39E49 -270.49 3.13 -8.94 -0.52 0
112346 50403502 1 FN6O6C39H47 AB6C6D39E47 -249.95 9.26 -8.74 -0.52 0
112347 50403503 1 FN6O6C40H49 AB6C6D40E49 -266.25 8.24 -8.83 -0.27 0
112348 50403518 1 F3O4N5H34C36 A3B4C5D34E36 -225.38 6.95 -8.99 -0.59 0
112349 50403535 1 F2N5O5C32H35 A2B5C5D32E35 -235.85 9.18 -8.59 -0.77 0
112350 50403536 1 F2N5O5C33H37 A2B5C5D33E37 -252.05 3.26 -8.83 -0.61 0
112351 50403552 1 O5N6C33H38 A5B6C33D38 -167.02 4.52 -8.79 -0.47 0
112352 50403784 1 F3O4N5H34C36 A3B4C5D34E36 -221.88 4.57 -9.0 -0.7 0
112353 50403810 1 BrO4N5C26H32 AB4C5D26E32 -147.77 6.61 -8.84 -0.54 0
112354 50403891 1 FO4N5C33H38 AB4C5D33E38 -174.08 7.3 -8.68 -0.4 0
112355 50403923 1 F2O4N5C37H43 A2B4C5D37E43 -236.0 4.79 -8.88 -0.54 0
112356 50403935 1 F3O4N5H34C36 A3B4C5D34E36 -228.39 5.19 -8.96 -0.83 0
112357 50403936 1 F4O4N5H33C36 A4B4C5D33E36 -268.39 7.95 -8.91 -1.02 0
112358 50403937 1 F3O4N5H34C36 A3B4C5D34E36 -218.52 4.26 -8.91 -0.6 0
112359 50403938 1 F3O4N5H36C37 A3B4C5D36E37 -230.82 5.47 -8.95 -0.82 0
112360 50404050 1 FO5N6C35H41 AB5C6D35E41 -225.63 3.57 -8.92 -0.39 0
112361 50404058 1 FCl2O4N5C33H36 AB2C4D5E33F36 -190.54 7.2 -8.85 -0.46 0
112362 50404068 1 FO5N6C39H49 AB5C6D39E49 -249.47 2.28 -8.86 -0.4 0
112363 50404320 1 ClF2O4N5C35H38 AB2C4D5E35F38 -224.97 1.26 -9.06 -0.78 0
112364 50404321 1 ClF2O4N5C33H36 AB2C4D5E33F36 -230.91 7.09 -8.88 -0.92 0
112365 50404368 1 FO5N6C37H45 AB5C6D37E45 -228.02 5.13 -8.98 -0.45 0