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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225436 85786828 1 SO3C12H14 AB3C12D14 -106.91 7.23 -9.95 -0.76 0
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225437 85786859 1 NO2Cl3C5H8 AB2C3D5E8 -124.37 4.53 -10.76 -0.56 1
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225438 85786860 1 H17C19 A17B19 109.56 0.38 0.0 0.0 0
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225439 85786869 1 NBr2O4H11C13 AB2C4D11E13 -98.55 4.18 -8.85 -1.73 0
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225440 85786880 1 NO3C13H15 AB3C13D15 -49.25 2.59 -8.41 -0.1 0
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225441 85786888 1 ClPO4C7H14 ABC4D7E14 -236.1 6.08 -9.78 0.33 0
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225442 85786891 1 SN2O2H12C15 AB2C2D12E15 -8.77 2.86 -8.91 -1.2 0
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225443 85786895 1 NSO2F3C11H12 ABC2D3E11F12 -207.44 8.38 -8.97 -0.59 0
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225444 85786902 1 NOPC16H20 ABCD16E20 -31.51 5.83 -9.5 -0.15 0
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225445 85786921 1 NSO2F3C10H10 ABC2D3E10F10 -202.84 8.6 -9.03 -0.63 1
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225446 85786925 1 N3C22H32 A3B22C32 79.45 2.5 0.0 0.0 0
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225447 85786930 1 ClNOSC4H6 ABCDE4F6 -12.82 4.42 -9.46 -1.78 1
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225448 85786937 1 AuPC7H18 ABC7D18 25.71 14.12 -6.03 0.99 0
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225449 85786941 1 N2O3C28H56 A2B3C28D56 -230.47 7.34 -9.03 0.67 0
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225450 85786944 2 NC13H13 AB13C13 62.05 1.57 -8.91 -0.75 0
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225451 85786946 1 BrSN2O4C17H19 ABC2D4E17F19 -114.41 7.41 -8.39 -0.7 0
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225452 85786955 1 BrN4O7C13H15 AB4C7D13E15 -130.87 11.42 -9.84 -1.57 0
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225453 85786956 1 O4C13H14 A4B13C14 -122.86 3.59 -9.35 -0.5 0
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225454 85786957 1 N3O4H9C11 A3B4C9D11 -4.94 3.84 -9.76 -2.15 0
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225455 85786964 1 NSO2C8H9 ABC2D8E9 -27.31 5.01 -8.47 -0.89 0
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225456 85786971 1 SN2O3C20H20 AB2C3D20E20 -28.11 8.3 -9.04 -0.31 0
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225457 85786972 1 HgC6H7 AB6C7 65.84 4.23 0.0 0.0 0
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225458 85786987 1 SC15H24 AB15C24 -37.15 2.28 -8.41 0.94 0
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225459 85786993 1 O3C14H20 A3B14C20 -86.04 3.45 -9.46 -0.23 0
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225460 85786995 1 O3C4F5H5 A3B4C5D5 -413.26 5.54 -11.8 -0.01 0
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225461 85786997 1 ClO2F3H8C13 AB2C3D8E13 -212.41 3.95 -8.93 -1.12 0
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225462 85786998 1 O3C10H12 A3B10C12 -47.95 2.85 -9.57 -0.4 0
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225463 85787033 1 OC23H28 AB23C28 13.55 1.76 -8.3 -0.29 0
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225464 85787048 1 O2C7H14 A2B7C14 -108.7 0.85 -9.94 2.15 0
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225465 85787052 1 SN2O4C17H26 AB2C4D17E26 -168.57 3.11 -9.72 -0.12 0
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225466 85787056 1 O3C19H20 A3B19C20 -57.8 3.61 -9.15 -0.74 0
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225467 85787063 1 O2N4C13H14 A2B4C13D14 -44.7 8.44 -8.68 -1.01 0
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225468 85787064 1 Si5O6C24H40 A5B6C24D40 -624.26 0.94 -8.35 -0.41 0
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225469 85787066 3 HC2F3 AB2C3 -458.17 0.51 -11.56 -0.83 0
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225470 85787071 1 SO2N3H11C17 AB2C3D11E17 50.76 1.67 -9.13 -1.78 0
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225471 85805309 1 ClNSO3F4C7H8 ABCD3E4F7G8 -352.07 3.51 -10.33 -1.55 0
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225472 85818184 2 NO2H12C13 AB2C12D13 -80.91 4.59 -8.53 -0.23 0
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225473 85852484 1 ILiPC13H29 ABCD13E29 -43.07 8.07 -6.9 0.52 0
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225474 85852486 1 ClSO3C9H11 ABC3D9E11 -133.52 3.49 -9.42 -0.78 0
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225476 85852490 1 ClOSC7H7 ABCD7E7 -28.99 2.05 -9.2 -0.73 0
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225477 85852491 1 ON3C10H13 AB3C10D13 14.35 4.97 -9.3 -1.41 0
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225478 85852492 1 NO2C10H17 AB2C10D17 -70.6 2.38 -10.81 0.42 0
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225479 85852493 1 NO2C12H21 AB2C12D21 -76.0 2.71 -10.78 0.43 0
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225480 85852496 4 OC4H6 AB4C6 -160.02 1.38 -9.92 -0.31 0
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225481 85852499 1 Cl5C14H25 A5B14C25 -100.97 2.33 -10.98 -0.86 0
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225482 85852500 1 NO2C13H13 AB2C13D13 -9.12 3.72 -9.63 -0.51 0
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225483 85852504 1 Cl5C16H29 A5B16C29 -110.99 2.34 -10.89 -0.86 0
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225484 85852506 1 PC24H45 AB24C45 -64.07 1.87 -9.26 2.89 0
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225485 85852507 1 Cl7C16H27 A7B16C27 -112.96 2.49 -10.7 -1.18 0
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225486 85852508 2 ClSC4H6 ABC4D6 -12.37 2.7 -9.13 -1.25 0