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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385504 134979256 1 BrClC12H24 ABC12D24 -70.8 4.35 -10.45 -0.03 0
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385505 134979259 1 O3C14H20 A3B14C20 -116.14 5.97 -9.17 -0.56 0
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385506 134979263 2 OC5H10 AB5C10 -111.37 1.25 -9.52 2.2 0
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385507 134979266 1 SiN2H8C9 AB2C8D9 48.88 5.16 -10.0 -0.69 0
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385508 134979269 1 BrGeCl2C7H13 ABC2D7E13 -91.72 3.42 -10.05 -1.57 0
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385509 134979270 1 GeIC10H13 ABC10D13 20.85 3.05 -9.12 -1.22 0
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385510 134979272 1 OSiC10H20 ABC10D20 -75.6 2.28 -9.27 0.59 0
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385511 134979273 1 SiO2C12H26 AB2C12D26 -162.46 1.89 -9.52 0.83 0
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385512 134979275 1 NaSSiSnO4C9H21 ABCDE4F9G21 -174.81 16.39 -8.7 -0.37 0
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385513 134979277 1 NPbC9H17 ABC9D17 61.6 3.6 -9.11 -0.12 0
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385514 134979278 1 PbO4C11H20 AB4C11D20 -146.78 0.93 -9.71 -0.51 0
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385515 134979281 1 BN3C9H13 AB3C9D13 39.23 10.84 0.0 0.0 0
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385516 134979286 1 BO2C16H33 AB2C16D33 -198.24 2.82 -9.58 1.38 0
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385517 134979288 1 SiO2C13H26 AB2C13D26 -151.45 1.47 -9.62 1.5 0
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385518 134979289 2 OC6H12 AB6C12 -144.52 1.76 -10.14 2.71 0
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385519 134979297 4 C4H7 A4B7 -30.44 0.12 -9.41 1.25 -2
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385520 134979298 1 AuPO2C22H25 ABC2D22E25 99.0 5.69 0.0 0.0 0
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385521 134979299 12 CH AB 166.26 0.54 -9.22 0.64 0
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385522 134979302 2 H9C13 A9B13 128.88 0.41 -8.64 -0.51 0
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385523 134979304 1 IC12H15 AB12C15 28.6 1.86 -9.35 -0.6 0
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385524 134979305 1 PO2C23H31 AB2C23D31 -99.9 6.1 -9.42 -0.19 0
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385525 134979310 2 H11C12 A11B12 141.4 0.35 -9.1 0.31 0
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385526 134979313 1 F3O3C15H17 A3B3C15D17 -291.44 3.79 -9.63 -0.36 0
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385527 134979314 18 CH AB 52.7 0.77 -8.72 -0.32 0
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385528 134979315 4 H5C6 A5B6 106.76 0.23 -8.91 -0.12 0
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385529 134979325 2 OC6H7 AB6C7 -7.52 2.26 -8.92 0.29 0
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385530 134979326 1 O2C7H12 A2B7C12 -60.68 0.69 -7.92 0.62 0
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385531 134979327 1 Si2O3C27H50 A2B3C27D50 -223.72 1.0 -8.02 -0.36 0
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385532 134979336 1 O2H22C31 A2B22C31 111.33 3.37 -9.39 -0.64 0
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385533 134979340 1 Si2O3C36H56 A2B3C36D56 -220.63 1.93 -8.77 0.07 0
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385534 134979341 2 OC8H10 AB8C10 -78.63 1.34 -9.21 0.13 0
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385535 134979344 1 OSiC13H24 ABC13D24 -102.6 1.78 -9.22 1.22 0
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385536 134979346 1 SiO6C18H30 AB6C18D30 -332.97 2.27 -9.19 0.14 0
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385537 134979349 1 SiO5C17H30 AB5C17D30 -303.12 4.21 -9.14 0.51 0
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385538 134979352 1 OSiC17H26 ABC17D26 -58.33 2.37 -9.16 0.45 0
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385539 134979354 1 Si2O3C36H56 A2B3C36D56 -221.38 1.4 -8.83 0.01 0
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385540 134979356 1 CrOC9H14 ABC9D14 15.02 1.19 -7.29 1.09 0
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385541 134979359 1 SO4C14H18 AB4C14D18 -132.37 5.64 -10.04 -0.52 0
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385542 134979367 1 N4H8C13 A4B8C13 175.58 6.63 -11.78 -0.44 0
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385546 134979377 1 NOF7H10C11 ABC7D10E11 -375.67 5.7 -10.4 0.35 0
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385547 134979378 1 NOF7H10C11 ABC7D10E11 -376.42 2.16 -10.3 0.06 0
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385548 134979381 1 C17H18 A17B18 49.5 0.15 -9.27 0.34 0
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385549 134979383 2 OC11H12 AB11C12 -4.41 1.62 -9.3 -0.51 0
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385550 134979384 1 SiO2C25H34 AB2C25D34 -93.31 2.84 -8.83 -0.46 0
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385551 134979387 1 NO7C17H17 AB7C17D17 -179.81 2.64 -10.36 -1.99 0
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385552 134979389 1 NSiO5C17H29 ABC5D17E29 -281.21 5.51 -9.11 0.33 0
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385553 134979391 1 NO4C26H27 AB4C26D27 -82.26 2.32 -9.44 -1.3 0
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385554 134979395 2 NOC14H22 ABC14D22 -12.77 1.04 -8.34 0.81 0
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385555 134979397 1 BBrO2C18H32 ABC2D18E32 -192.36 4.68 -9.48 0.0 0
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385556 134979398 1 O2C11H20 A2B11C20 -98.27 3.76 -9.79 0.62 0