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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27423 821272 1 O3C20H28 A3B20C28 -150.31 5.8 -9.89 -0.63 0
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27424 821304 1 NSO2C15H15 ABC2D15E15 -48.87 4.77 -8.65 -0.78 0
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27425 821305 2 OC7H11 AB7C11 -92.87 4.0 -9.57 0.55 0
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27426 821306 2 OC7H11 AB7C11 -92.87 4.01 -9.57 0.55 0
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27427 821307 1 N2O2C17H18 A2B2C17D18 -53.19 3.47 -8.51 -0.26 0
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27428 821309 1 O2C15H26 A2B15C26 -116.23 2.4 -9.67 2.51 0
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27429 821310 1 O2C15H24 A2B15C24 -109.31 3.91 -9.76 0.87 0
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27430 821311 1 N2O2C17H18 A2B2C17D18 -54.7 0.82 -8.25 -0.45 0
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27431 821313 1 O2C15H24 A2B15C24 -103.08 4.65 -9.78 0.61 0
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27432 821314 1 ON2C10H14 AB2C10D14 -41.99 3.13 -8.16 0.3 0
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27433 821316 2 OC7H11 AB7C11 -104.21 4.23 -10.01 0.63 0
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27434 821317 2 ClN2H5C7 AB2C5D7 105.48 5.08 -9.85 -1.36 0
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27435 821319 1 O2C15H24 A2B15C24 -99.06 3.13 -9.73 0.64 0
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27436 821322 1 O2C15H24 A2B15C24 -100.73 3.32 -9.64 0.73 0
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27437 821325 1 O2C15H26 A2B15C26 -112.77 1.98 -9.66 2.48 0
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27438 821327 2 N2C9H10 A2B9C10 97.95 8.65 -9.49 -0.89 0
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27439 821330 2 OC7H11 AB7C11 -108.48 2.78 -9.93 0.62 0
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27440 821345 1 NO4C20H21 AB4C20D21 -95.94 3.09 -8.1 -0.33 0
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27441 821347 1 NO2C19H19 AB2C19D19 -22.94 1.63 -7.82 -0.29 0
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27442 821350 1 ON5C17H21 AB5C17D21 38.67 5.24 -8.88 -0.86 0
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27443 821362 1 O4C11H12 A4B11C12 -176.47 2.78 -9.4 -0.53 0
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27444 821363 1 O3C15H26 A3B15C26 -180.69 3.16 -9.97 0.72 1
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27445 821364 1 NO3C20H26 AB3C20D26 -69.28 5.16 0.0 0.0 1
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27446 821365 1 NO3C20H26 AB3C20D26 -53.5 1.11 0.0 0.0 0
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27447 821370 1 N2O2C19H22 A2B2C19D22 -38.18 6.13 -9.03 -0.18 1
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27448 821379 1 NO4C20H24 AB4C20D24 -81.43 8.64 0.0 0.0 0
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27449 821402 1 O4C15H22 A4B15C22 -126.15 6.16 -10.36 0.68 0
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27450 821407 1 NOSC13H21 ABCD13E21 -68.43 8.08 -8.48 0.28 0
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27451 821410 1 NOSC9H17 ABCD9E17 -63.33 2.01 -8.77 0.2 0
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27452 821414 1 OSN2C13H22 ABC2D13E22 -79.71 8.43 -8.39 0.39 0
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27453 821418 4 OC5H8 AB5C8 -210.35 3.9 -9.94 2.38 0
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27454 821421 4 OC5H8 AB5C8 -214.0 4.38 -10.0 2.35 0
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27455 821433 1 O5C15H18 A5B15C18 -195.89 6.42 -9.1 -0.9 0
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27456 821434 1 O5C15H18 A5B15C18 -197.5 6.51 -9.22 -0.99 0
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27457 821438 1 O2C15H24 A2B15C24 -114.55 3.71 -9.72 0.48 0
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27458 821439 1 O4C17H24 A4B17C24 -188.12 3.63 -9.09 0.48 0
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27459 821440 1 O4C17H24 A4B17C24 -188.01 3.65 -9.1 0.48 0
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27460 821446 1 O6H18C19 A6B18C19 -71.08 8.25 -8.32 -1.07 0
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27461 821447 1 O3C20H28 A3B20C28 -152.12 3.76 -8.72 0.0 0
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27462 821455 1 O3C20H34 A3B20C34 -198.79 4.89 -9.86 2.52 0
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27463 821456 1 O3C20H30 A3B20C30 -146.93 3.69 -9.3 0.58 0
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27464 821457 1 O3C22H36 A3B22C36 -195.64 3.44 -10.1 0.77 0
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27465 821459 1 O4C21H30 A4B21C30 -148.7 4.55 -9.97 0.57 0
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27466 821463 1 ON3C20H21 AB3C20D21 36.08 4.35 -8.42 -0.78 0
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27467 821500 1 SN3O4H11C15 AB3C4D11E15 -4.63 4.29 -9.12 -2.1 0
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27468 821501 1 NS2C14H19 AB2C14D19 49.12 2.82 -7.94 -0.46 0
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27469 821502 1 O4N5C14H15 A4B5C14D15 15.33 6.13 -9.39 -1.06 0
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27470 821504 1 NS2C13H17 AB2C13D17 57.68 2.76 -7.96 -0.49 0
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27471 821505 1 SO2N5H13C15 AB2C5D13E15 55.45 3.95 -8.71 -1.54 0
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27472 821506 1 NOSC13H15 ABCD13E15 36.31 2.42 -8.19 -0.18 0