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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400898 135049414 1 OSSiC20H32 ABCD20E32 -81.75 1.28 -8.55 -0.15 0
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400899 135049415 1 LiPC10H14 ABC10D14 20.6 6.6 -6.94 0.86 0
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400900 135049416 1 LiPC12H16 ABC12D16 62.21 18.99 -4.86 0.38 0
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400901 135049417 1 NSiO2C12H25 ABC2D12E25 -95.1 1.3 -8.68 0.86 0
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400902 135049418 1 OSiC30H30 ABC30D30 34.29 1.38 -9.3 -0.05 0
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400903 135049425 1 OSiC18H22 ABC18D22 -56.79 1.01 -8.46 -0.28 0
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400904 135049431 1 LiSiN4C22H35 ABC4D22E35 125.38 16.14 -5.84 -0.83 -1
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400905 135049432 1 OC5H9 AB5C9 -32.42 3.2 0.0 0.0 0
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400906 135049434 1 ClOSiC9H21 ABCD9E21 -120.68 2.78 -9.26 1.0 0
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400907 135049435 1 OSiC9H20 ABC9D20 -96.7 3.68 -9.43 0.77 0
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400908 135049436 1 OSiC30H36 ABC30D36 -4.49 2.08 -9.16 -0.12 0
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400909 135049437 1 OSiC33H34 ABC33D34 38.1 0.95 -9.02 -0.06 0
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400910 135049438 1 OSiC25H28 ABC25D28 -1.41 2.02 -9.34 -0.14 0
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400911 135049439 1 OSiC31H32 ABC31D32 30.17 1.32 -9.24 -0.12 0
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400912 135049440 1 Si2O4C25H40 A2B4C25D40 -228.03 4.51 -8.64 -0.32 0
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400913 135049442 1 Si3O4C52H60 A3B4C52D60 -169.81 2.27 -9.05 0.06 0
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400914 135049444 1 Si2O3C41H56 A2B3C41D56 -219.68 3.65 -8.95 0.17 0
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400915 135049445 1 Si2N4C25H44 A2B4C25D44 -24.81 2.32 -8.25 0.38 0
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400916 135049446 1 OSiC8H16 ABC8D16 -52.54 1.24 -8.22 0.49 0
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400917 135049447 1 ClOSiC7H13 ABCD7E13 -83.91 5.69 -10.24 -0.56 0
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400918 135049449 1 OSiC14H26 ABC14D26 -88.95 2.38 -8.96 0.54 0
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400919 135049450 1 NSeSiO2C18H23 ABCD2E18F23 3.29 4.34 -8.71 -0.96 0
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400920 135049454 1 CdGeOH17C18 ABCD17E18 58.81 2.37 0.0 0.0 0
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400921 135049455 1 Si2O3C30H50 A2B3C30D50 -282.07 2.79 -8.77 0.41 0
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400922 135049456 1 Si2O3C30H50 A2B3C30D50 -282.89 3.47 -8.77 0.39 0
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400923 135049468 1 CdGeOC20H21 ABCD20E21 56.71 2.2 0.0 0.0 0
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400924 135049469 1 CdGeOC21H23 ABCD21E23 5.04 2.19 0.0 0.0 0
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400925 135049470 1 ON2Si2C14H26 AB2C2D14E26 -99.32 1.09 -7.75 0.6 0
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400926 135049471 1 Si2O3C29H48 A2B3C29D48 -272.2 2.94 -8.75 0.41 0
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400927 135049472 1 Si2O3C24H46 A2B3C24D46 -295.17 2.8 -8.79 0.48 0
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400928 135049474 1 NSi2F3O4C33H44 AB2C3D4E33F44 -415.47 1.86 -9.15 -0.11 -1
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400929 135049475 1 SSeSiO2C19H23 ABCD2E19F23 -49.14 5.44 0.0 0.0 0
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400930 135049476 1 SSeSiO2C19H24 ABCD2E19F24 -33.2 2.48 -8.06 -0.05 0
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400931 135049478 1 OSiC14H30 ABC14D30 -120.17 3.6 -9.12 0.73 0
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400932 135049479 1 SiO4C14H22 AB4C14D22 -182.5 2.83 -9.61 0.73 0
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400933 135049480 1 FeGeO2H16C19 ABC2D16E19 104.16 2.0 -7.92 0.0 0
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400934 135049481 1 CuGeSC20H21 ABCD20E21 167.12 6.23 -6.86 -0.84 0
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400935 135049482 1 CdGeO2H19C20 ABC2D19E20 16.33 4.29 0.0 0.0 0
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400936 135049483 1 LiSeSnH15C18 ABCD15E18 78.35 8.37 -7.49 -0.52 0
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400937 135049485 1 GeNC13H27 ABC13D27 -35.89 3.98 -10.18 1.17 0
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400939 135049510 1 SiO4C24H28 AB4C24D28 -160.93 1.34 -9.03 -0.48 0
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400940 135049521 1 SiO2C15H24 AB2C15D24 -85.38 4.19 -8.79 0.32 0
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400941 135049523 1 SiO2C20H34 AB2C20D34 -119.96 3.33 -8.8 0.33 0
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400942 135049535 1 OSiC37H44 ABC37D44 2.64 2.01 -9.09 0.04 0
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400943 135049548 1 SiO3C20H36 AB3C20D36 -185.42 2.2 -9.1 1.15 0
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400944 135049549 1 SiO2C14H30 AB2C14D30 -198.41 5.18 -9.31 0.86 0
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400945 135049550 1 SSiO3C15H22 ABC3D15E22 -132.44 1.77 -8.02 0.02 0
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400946 135049551 1 GeN4C22H22 AB4C22D22 306.29 6.27 -6.5 -1.34 0
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400947 135049552 1 GeIC6H15 ABC6D15 -33.36 3.02 -9.48 -1.35 0
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400948 135049554 1 SiO2C7H15 AB2C7D15 -83.84 1.59 0.0 0.0 0