List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
411429 135084260 1 NO2C14H17 AB2C14D17 -29.14 3.51 -9.21 0.2 0
411430 135084261 1 O2N3C5H5 A2B3C5D5 28.49 4.13 -9.84 -1.27 1
411431 135084262 1 O2N3C5H6 A2B3C5D6 32.28 6.46 0.0 0.0 0
411432 135084263 1 BrON2H11C14 ABC2D11E14 41.89 6.76 -8.67 -0.6 0
411433 135084264 1 BrOC11H11 ABC11D11 12.07 2.6 -8.68 -0.29 0
411434 135084265 1 OC13H14 AB13C14 3.15 3.47 -8.91 -0.19 0
411435 135084266 1 NSO2C12H17 ABC2D12E17 -69.82 4.98 -9.71 -0.23 0
411436 135084267 1 OBr2H8C13 AB2C8D13 34.55 3.5 -9.27 -1.12 0
411437 135084268 1 ClN2F3H6C10 AB2C3D6E10 -103.19 1.54 -9.6 -0.74 0
411438 135084269 1 BrO3C12H13 AB3C12D13 -98.61 1.2 -9.55 -1.06 0
411439 135084270 1 BrNSO2C8H8 ABCD2E8F8 -34.87 3.41 -9.91 -1.1 0
411440 135084271 1 NO2C8H11 AB2C8D11 -55.76 2.77 -11.0 -1.14 0
411441 135084272 1 BrN3H8C12 AB3C8D12 95.11 4.17 -8.82 -1.12 0
411442 135084273 1 BrNPO4C7H15 ABCD4E7F15 -203.3 1.14 -9.84 -0.71 0
411443 135084274 1 LiO3C9H9 AB3C9D9 -139.47 10.67 -9.3 0.04 0
411444 135084275 1 O3N4H6C9 A3B4C6D9 69.26 6.07 -10.66 -1.5 0
411445 135084276 4 COH2 ABC2 -180.59 1.99 -10.75 1.18 0
411446 135084277 1 ClC13H17 AB13C17 -5.37 1.73 -9.29 0.33 0
411447 135084278 2 ClNOC4H4 ABCD4E4 -73.45 6.55 -9.15 -0.28 1
411448 135084279 1 BClPO2C5H12 ABCD2E5F12 -8.33 4.29 0.0 0.0 0
411449 135084280 1 N3C14H15 A3B14C15 76.08 3.03 -8.41 -0.39 0
411450 135084281 2 NO2C5H7 AB2C5D7 -125.26 3.34 -9.67 -1.11 1
411451 135084282 1 N2O4C10H15 A2B4C10D15 -117.39 6.45 0.0 0.0 0
411452 135084283 1 NOC12H13 ABC12D13 59.5 1.9 -9.44 0.1 0
411453 135084284 1 OBr2H8C9 AB2C8D9 1.06 2.55 -8.98 -1.05 0
411454 135084285 1 O2S2C5H8 A2B2C5D8 -41.29 1.07 -8.2 -0.1 0
411455 135084286 2 ON2C5H6 AB2C5D6 21.61 3.71 -8.74 -1.11 0
411456 135084287 1 NO2H11C13 AB2C11D13 -23.16 4.46 -9.47 -0.69 0
411457 135084288 1 O3C13H18 A3B13C18 -73.52 4.52 -8.85 -0.61 0
411458 135084289 3 OC4H6 AB4C6 -123.73 4.44 -9.91 0.43 1
411459 135084290 1 FNO2C7H11 ABC2D7E11 -78.33 2.99 0.0 0.0 0
411460 135084291 1 OSiC8H16 ABC8D16 -76.66 1.59 -9.6 0.76 0
411461 135084292 1 O2N3C6H7 A2B3C6D7 19.13 4.27 -9.79 -1.22 1
411462 135084293 1 O2N3C6H8 A2B3C6D8 27.22 6.72 0.0 0.0 0
411463 135084294 1 OC11H20 AB11C20 -41.04 2.06 -9.7 1.1 0
411464 135084295 1 O2C13H22 A2B13C22 -94.91 1.56 -9.57 0.72 0
411465 135084296 1 OC12H14 AB12C14 14.54 2.08 -9.33 0.36 0
411466 135084297 1 O2N3H9C10 A2B3C9D10 41.54 6.56 -9.55 -0.92 0
411467 135084298 1 BrO4C13H13 AB4C13D13 -150.25 5.91 -10.36 -1.38 0
411468 135084299 1 OC10H18 AB10C18 -66.61 0.8 -8.69 1.48 0
411469 135084300 1 NOSiC8H17 ABCD8E17 -83.36 7.59 -8.84 0.51 0
411470 135084301 1 NO2S2C9H13 AB2C2D9E13 -44.29 4.74 -9.37 -0.88 0
411471 135084302 1 O3C12H14 A3B12C14 -102.5 3.65 -9.67 -0.74 0
411472 135084303 1 OC12H18 AB12C18 -45.34 1.3 -9.2 0.39 0
411473 135084304 1 NO3H11C12 AB3C11D12 -76.63 5.85 -9.29 -1.04 0
411474 135084305 1 O4C7H8 A4B7C8 -135.59 0.09 -9.74 -0.16 0
411475 135084306 1 NOC13H17 ABC13D17 -30.46 3.73 -8.76 0.11 0
411476 135084307 1 OC15H26 AB15C26 -34.02 2.23 -9.64 1.01 0
411477 135084308 1 NOC7H13 ABC7D13 -12.2 1.35 -9.7 0.65 0
411478 135084309 1 ClOH13C14 ABC13D14 -9.05 3.55 -9.55 -1.02 0
411479 135084310 1 NO5H7C10 AB5C7D10 -57.35 5.64 -9.47 -2.04 0
411480 135084311 2 OC6H9 AB6C9 -82.66 2.53 -9.72 0.65 0
411481 135084312 1 NC16H23 AB16C23 28.04 1.86 -8.75 0.45 0
411482 135084313 3 C5H6 A5B6 126.21 0.91 -9.6 0.62 0
411483 135084314 1 NO2H11C13 AB2C11D13 -24.53 2.88 -9.49 -0.77 0
411484 135084315 1 OC15H16 AB15C16 63.93 2.47 -9.4 -0.3 0
411485 135084316 1 NO4H11C12 AB4C11D12 29.91 2.44 -8.72 -1.5 0
411486 135084317 1 C13H16 A13B16 39.72 0.64 -9.24 0.46 0
411487 135084318 1 SeN2O5C9H12 AB2C5D9E12 -204.14 5.34 -9.43 -1.14 0
411488 135084319 1 ClNOC12H16 ABCD12E16 -54.03 3.25 -9.46 -0.15 0
411489 135084320 2 NOC6H7 ABC6D7 -17.84 3.43 -8.58 -0.1 0
411490 135084321 1 OSiC13H18 ABC13D18 -41.35 1.38 -9.56 0.16 0
411491 135084322 1 O2C11H12 A2B11C12 -32.45 4.71 -8.92 -0.63 0
411492 135084323 1 FO2C13H15 AB2C13D15 -113.05 2.05 -9.49 -0.75 0
411493 135084324 1 OC14H18 AB14C18 -15.31 1.81 -8.98 0.13 0
411494 135084325 1 BKO2F3H7C10 ABC2D3E7F10 -331.39 8.06 -9.27 -0.59 -1
411495 135084326 1 BO2F3H7C10 AB2C3D7E10 -196.05 24.9 0.0 0.0 0
411496 135084327 2 OC4H7 AB4C7 -86.59 2.06 -8.84 1.31 0
411497 135084328 1 O3C11H12 A3B11C12 -83.93 3.61 -8.91 -0.02 0
411498 135084329 1 SN2O4C9H16 AB2C4D9E16 -143.05 4.85 -10.9 -1.03 1
411499 135084330 1 SN2O4C9H17 AB2C4D9E17 -130.61 3.76 0.0 0.0 0
411500 135084331 1 N2O2C13H16 A2B2C13D16 -44.01 5.19 -9.21 -0.36 0
411501 135084332 1 BKF3H9C12 ABC3D9E12 -277.32 12.76 -8.97 -0.22 -1
411502 135084333 1 BF3H9C12 AB3C9D12 -173.42 8.07 0.0 0.0 0
411503 135084334 1 OC15H24 AB15C24 -31.37 0.43 -9.6 1.11 0