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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22455 597254 1 OSN5C17H21 ABC5D17E21 36.91 5.4 -8.78 -0.68 0
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22456 597255 1 O5C9H10 A5B9C10 -184.66 2.82 -10.01 -0.4 0
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22457 597262 1 FHCl2N2C4 ABC2D2E4 -8.28 1.94 -10.88 -1.6 0
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22458 597267 1 ClNSO3C10H12 ABCD3E10F12 -123.6 2.4 -8.87 -0.94 0
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22459 597268 1 ClNSO2F3C14H17 ABCD2E3F14G17 -237.29 5.38 -9.2 -0.99 0
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22460 597271 1 NOSC9H11 ABCD9E11 -23.29 3.98 -8.97 -0.64 0
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22461 597289 1 FeO3C11H14 AB3C11D14 -25.07 1.95 -7.28 0.84 -4
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22462 597294 1 NO2C11H17 AB2C11D17 -100.5 3.75 -8.81 0.42 0
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22463 597303 1 NC20H37 AB20C37 -26.81 1.13 -8.41 1.29 0
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22464 597305 1 NS2O4C11H17 AB2C4D11E17 -171.42 3.35 -8.51 -0.37 0
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22465 597315 2 SC6H7 AB6C7 26.73 1.96 -8.68 -0.72 0
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22466 597316 2 SC6H7 AB6C7 25.92 2.23 -8.55 -0.65 0
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22467 597335 2 SC8H11 AB8C11 8.74 0.81 -8.36 -0.52 0
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22468 597343 1 ON2H16C19 AB2C16D19 41.06 6.16 -9.13 -0.33 0
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22469 597345 1 SN3C12H23 AB3C12D23 2.53 1.3 -8.6 -0.22 0
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22470 597347 1 O2N3C16H19 A2B3C16D19 -25.22 5.36 -9.38 -0.54 0
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22471 597349 1 SC14H24 AB14C24 -29.65 0.24 -8.89 0.24 0
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22472 597350 1 O2C13H20 A2B13C20 -93.82 4.11 -9.86 -0.21 0
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22473 597351 1 O4C13H18 A4B13C18 -136.38 3.47 -8.61 0.09 0
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22474 597352 1 O2C13H22 A2B13C22 -123.87 0.65 -9.75 0.66 0
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22475 597353 2 OC7H12 AB7C12 -127.53 2.04 -9.94 0.18 0
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22476 597355 1 BO2C12H23 AB2C12D23 -187.54 1.73 -9.27 0.86 0
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22477 597356 1 N2O3S3C12H12 A2B3C3D12E12 -81.94 2.67 -9.29 -1.88 0
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22478 597357 2 ClNC4H4 ABC4D4 16.46 3.74 -9.67 -0.71 0
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22479 597358 1 NO3C23H25 AB3C23D25 -56.46 5.37 -9.5 -0.24 0
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22480 597359 1 SO3C13H18 AB3C13D18 -138.82 5.93 -9.49 -0.94 0
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22481 597360 1 SiO7C35H42 AB7C35D42 -308.26 1.93 -9.0 -0.34 0
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22482 597361 1 NS3C10H11 AB3C10D11 38.95 2.4 -9.06 -1.5 0
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22483 597362 1 N3O3C9H11 A3B3C9D11 -13.48 2.59 -9.28 -0.85 0
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22484 597363 1 N3O6H11C12 A3B6C11D12 -132.82 3.76 -9.36 -1.64 0
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22485 597364 1 OS2C13H18 AB2C13D18 -40.87 0.54 -8.52 -0.24 0
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22486 597365 1 NO4H11C12 AB4C11D12 -142.34 5.09 -9.3 -1.08 0
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22487 597366 1 SN2O3C8H8 AB2C3D8E8 -69.32 8.16 -8.35 -1.44 0
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22488 597367 1 SN2O3C8H9 AB2C3D8E9 -84.01 4.34 0.0 0.0 1
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22489 597368 1 N5O5H31C32 A5B5C31D32 -50.8 4.36 -8.22 -1.06 0
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22490 597369 1 O3N4H14C19 A3B4C14D19 80.31 8.51 -9.39 -1.83 0
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22491 597370 1 O2N3C7H9 A2B3C7D9 -39.15 2.42 -9.49 0.07 0
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22492 597371 1 O3C20H32 A3B20C32 -173.4 1.86 -9.44 -0.51 0
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22493 597372 1 O2C15H26 A2B15C26 -126.88 1.76 -9.67 0.59 0
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22494 597373 1 NO4C9H13 AB4C9D13 -178.57 1.53 -10.15 0.04 0
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22495 597374 2 OC13H15 AB13C15 -40.41 1.75 -9.2 -0.18 0
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22496 597375 1 N2O3C18H22 A2B3C18D22 -87.19 2.6 -8.26 0.06 0
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22497 597377 1 SO2C22H42 AB2C22D42 -174.51 1.74 -9.28 0.28 0
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22498 597379 1 FN3O3C9H10 AB3C3D9E10 -115.91 6.02 -8.74 -0.8 0
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22499 597380 1 N3O3H5C6 A3B3C5D6 16.92 2.22 -10.39 -1.21 0
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22500 597381 1 OSN3H5C6 ABC3D5E6 31.65 7.44 -9.57 -1.31 0
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22501 597382 2 N4C5H8 A4B5C8 83.79 5.71 -9.17 -0.22 0
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22502 597383 1 N6C13H18 A6B13C18 66.08 1.99 -9.06 0.06 0
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22503 597384 1 O3C10H16 A3B10C16 -136.04 2.9 -9.66 1.4 0
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22504 597385 1 N2Si2O4C15H32 A2B2C4D15E32 -301.03 4.26 -9.64 0.07 0