List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
335398 127254260 1 ClNO5C31H34 ABC5D31E34 -196.29 5.41 -9.16 -0.77 0
335399 127254261 1 ClNO5C30H34 ABC5D30E34 -204.2 9.01 -8.99 -0.52 0
335400 127254262 1 ClNO5C30H32 ABC5D30E32 -191.85 5.27 -9.14 -0.91 0
335401 127254263 2 NO2C13H16 AB2C13D16 -148.97 2.77 -8.57 -0.15 0
335402 127254264 1 N2O4C27H36 A2B4C27D36 -159.02 2.92 -8.35 0.15 0
335403 127254265 1 NO5C35H37 AB5C35D37 -161.25 9.78 -8.96 -0.49 0
335404 127254266 1 ClNO5C30H32 ABC5D30E32 -179.95 12.34 -8.7 -0.61 0
335405 127254267 1 ClNO5C30H32 ABC5D30E32 -193.95 8.54 -9.1 -0.7 0
335407 127254269 1 ClNO5C31H32 ABC5D31E32 -183.37 5.47 -8.79 -0.92 0
335409 127254271 1 NO5C20H29 AB5C20D29 -218.87 3.61 -8.0 0.23 0
335410 127254272 1 ClNO5C30H34 ABC5D30E34 -204.34 3.85 -9.41 -0.86 0
335411 127254273 1 NO5C29H33 AB5C29D33 -178.06 9.97 -9.11 -0.79 0
335413 127254275 1 ClNO5C31H36 ABC5D31E36 -200.45 10.52 -9.18 -0.86 0
335419 127254281 1 NO7C29H37 AB7C29D37 -238.21 1.93 -8.59 -0.36 0
335420 127254282 1 NO3C25H29 AB3C25D29 -86.92 1.45 -8.75 -0.38 0
335421 127254283 1 ClNF3O5H25C27 ABC3D5E25F27 -328.73 5.4 -9.51 -1.75 0
335422 127254284 1 ClNO5C32H36 ABC5D32E36 -196.71 4.96 -8.8 -0.6 0
335424 127254286 1 N3O5H19C20 A3B5C19D20 -34.63 5.43 -9.33 -1.35 0
335425 127254287 1 N3O3C20H21 A3B3C20D21 -29.12 7.8 -8.24 -0.31 0
335426 127254288 1 ClPN3O4H11C12 ABC3D4E11F12 -168.17 5.48 -9.24 -1.34 0
335427 127254289 1 Cl2N3C14H15 A2B3C14D15 1.01 5.04 -9.43 -0.6 0
335428 127254290 1 ClON4H11C12 ABC4D11E12 35.97 7.4 -9.4 -0.68 0
335429 127254291 1 BrClOC5N5H13 ABCD5E5F13 -55.75 8.58 -9.09 -0.35 0
335430 127254292 1 KSO2N3C10H14 ABC2D3E10F14 -101.58 13.26 -8.43 -0.18 0
335431 127254293 1 N2O5C14H16 A2B5C14D16 -166.4 13.44 -9.31 -1.44 0
335432 127254294 1 ClON2C10H17 ABC2D10E17 -49.32 2.15 -8.1 0.39 0
335433 127254295 1 ClNOC13H16 ABCD13E16 -31.74 5.42 -9.07 0.2 0
335434 127254296 1 ClFNOC13H15 ABCDE13F15 -73.03 1.46 -9.42 -0.22 0
335435 127254297 1 ClNOC14H18 ABCD14E18 -32.35 2.06 -9.32 0.09 0
335436 127254298 1 ClNO2C19H26 ABC2D19E26 -93.69 3.94 -8.73 0.17 0
335437 127254299 1 NOCl2C8H11 ABC2D8E11 -65.8 1.57 -9.22 -0.36 0
335438 127254300 1 N2O4C13H16 A2B4C13D16 -117.64 1.4 -8.13 -1.56 0
335439 127254301 1 ClON3C8H10 ABC3D8E10 -9.09 1.76 -9.85 -1.07 0
335440 127254302 1 N3O3C5H7 A3B3C5D7 -62.72 7.75 -10.08 -0.66 0
335441 127254303 1 ClN3C14H18 AB3C14D18 36.89 3.78 -8.59 -0.23 0
335442 127254304 1 BrNaO2C4H4N4 ABC2D4E4F4 -79.76 11.04 -8.71 -0.1 0
335443 127254305 1 BrO2C4N4H5 AB2C4D4E5 -34.1 2.2 -9.92 -0.91 0
335444 127254306 1 ClN4O4H7C9 AB4C4D7E9 -69.46 4.16 -10.1 -1.53 0
335445 127254307 1 ClN4H5C7 AB4C5D7 91.53 1.83 -9.96 -1.33 0
335446 127254308 1 BrClN4C5H10 ABC4D5E10 8.12 4.23 -9.58 -0.5 0
335447 127254309 1 N2O4C17H24 A2B4C17D24 -149.76 1.82 -8.38 -1.24 0
335448 127254310 1 N2O4C19H20 A2B4C19D20 -101.27 3.7 -8.44 -1.26 0
335449 127254311 1 ClKN3O3C5H5 ABC3D3E5F5 -114.54 12.98 -9.2 -0.12 0
335450 127254312 1 ClN3O3C5H6 AB3C3D5E6 -71.8 3.38 -10.42 -1.29 0
335451 127254313 1 N3O4C11H13 A3B4C11D13 -127.16 9.51 -9.48 -0.92 0
335452 127254314 1 BrClC3N4H6 ABC3D4E6 9.51 3.54 -9.82 -0.6 0
335453 127254315 1 BSN2F4O4C15H21 ABC2D4E4F15G21 -498.1 9.8 -10.04 -1.44 0
335454 127254316 1 ClN2O4C15H19 AB2C4D15E19 -133.36 13.04 -8.11 -1.56 1
335455 127254317 1 N2O4C15H19 A2B4C15D19 -100.21 9.77 0.0 0.0 0
335456 127254318 1 N4O4H16C19 A4B4C16D19 -107.31 5.27 -9.05 -0.98 0
335457 127254319 1 F3O3N5H12C13 A3B3C5D12E13 -178.82 9.83 -9.09 -1.18 0
335458 127254320 1 NOSBr2C16H19 ABCD2E16F19 -26.8 2.39 -9.08 -1.01 0
335459 127254321 1 ClO3N4H15C22 AB3C4D15E22 -30.56 4.16 -9.2 -1.32 0
335460 127254322 1 N4O5H14C16 A4B5C14D16 -60.66 8.16 -9.46 -1.15 0
335462 127254324 2 OSN2C9H9 ABC2D9E9 16.12 5.98 -8.64 -1.63 0
335463 127254325 2 N2O2C11H11 A2B2C11D11 -99.99 3.65 -8.6 -0.87 0
335464 127254326 1 O3N6H26C28 A3B6C26D28 -6.04 4.43 -8.38 -1.08 0
335465 127254327 1 OSN3C18H19 ABC3D18E19 25.66 1.37 -8.53 -0.99 0
335466 127254328 1 BrOSN3H30C31 ABCD3E30F31 68.22 15.81 -7.61 -2.42 1
335467 127254329 1 BrOSN3C31H31 ABCD3E31F31 45.21 5.25 0.0 0.0 0
335468 127254330 2 ClNOC19H20 ABCD19E20 9.85 5.17 -9.31 0.06 0
335469 127254331 2 ClNO2H12C17 ABC2D12E17 -53.2 2.98 -8.67 -0.7 0
335470 127254332 1 O4N5H19C22 A4B5C19D22 -45.51 2.24 -9.33 -1.13 0
335471 127254333 1 SN2O6C22H24 AB2C6D22E24 -171.47 9.23 -8.69 -0.91 0
335472 127254334 1 ON4C19H24 AB4C19D24 1.65 2.29 -8.83 -0.22 0
335473 127254335 1 SN3O4H23C26 AB3C4D23E26 -17.34 1.78 -8.68 -1.82 0
335474 127254336 1 N2O2C19H30 A2B2C19D30 -107.25 7.33 -8.68 1.05 0
335475 127254337 1 OSF3N5H10C14 ABC3D5E10F14 -54.85 9.8 -9.49 -1.86 0
335476 127254338 1 ClN6O9C26H37 AB6C9D26E37 -342.72 3.12 -8.41 -0.83 0
335477 127254339 1 ON2C21H24 AB2C21D24 35.82 4.16 -9.24 0.18 0
335478 127254340 1 SO3N5H21C24 AB3C5D21E24 -16.81 7.6 -8.39 -1.17 0
335479 127254341 1 ClSN2O3C15H19 ABC2D3E15F19 -102.6 7.34 -9.1 -0.47 0
335480 127254342 1 N4O7C26H26 A4B7C26D26 -229.8 8.01 -8.53 -0.79 0
335481 127254343 1 N2O3H18C22 A2B3C18D22 14.09 3.29 -8.46 -0.68 0
335482 127254344 1 O2N4C23H32 A2B4C23D32 -49.62 3.82 -8.78 -0.12 0