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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402551 135056347 1 BrClMgO2C3H4 ABCD2E3F4 -104.38 3.07 -10.1 -1.35 0
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402552 135056348 1 NF3O3H8C9 AB3C3D8E9 -256.38 4.39 -9.22 -0.71 0
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402553 135056352 1 NCl2H9C13 AB2C9D13 52.76 2.84 -9.51 -0.6 0
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402554 135056353 1 O5C11H14 A5B11C14 -194.11 3.41 -8.83 -0.15 0
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402555 135056358 2 O3C8H12 A3B8C12 -236.37 1.19 -8.48 0.17 0
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402556 135056378 1 KO2C18H31 AB2C18D31 -165.07 6.85 -9.11 0.39 0
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402558 135056380 1 N5O5C35H39 A5B5C35D39 -155.64 6.64 -8.12 -0.18 0
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402560 135056388 2 N2O3C17H19 A2B3C17D19 16.85 15.73 -5.94 -3.42 0
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402561 135056394 1 ClNO2C8H12 ABC2D8E12 -111.4 3.57 -9.86 0.44 0
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402562 135056398 1 N6O14C47H62 A6B14C47D62 -592.82 10.34 -9.41 -0.38 0
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402563 135056399 1 O11C13H26 A11B13C26 -514.42 3.11 -10.22 -0.33 0
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402564 135056404 2 ON2C6H8 AB2C6D8 -47.02 5.54 -10.76 -0.62 0
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402565 135056408 1 O11C12H22 A11B12C22 -483.11 4.85 -10.41 -0.54 0
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402566 135056413 1 N2C15H20 A2B15C20 30.24 3.25 -8.68 -0.63 0
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402567 135056414 1 O2C13H24 A2B13C24 -139.8 1.79 -10.79 0.88 0
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402568 135056425 1 ClNF3C8H9 ABC3D8E9 -174.22 5.49 -10.17 -0.42 0
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402569 135056438 1 ClNOSH8C13 ABCDE8F13 36.83 1.03 -9.02 -1.01 -2
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402570 135056451 1 PC6O9H11 AB6C9D11 -334.21 3.36 -10.57 -2.25 0
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402571 135056457 1 NO2C13H17 AB2C13D17 -49.61 2.67 -8.95 -0.12 1
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402572 135056459 1 NSeO2C11H12 ABC2D11E12 -49.06 4.49 0.0 0.0 0
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402573 135056461 1 OSeN2C9H10 ABC2D9E10 0.02 1.51 -7.85 -0.4 0
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402574 135056462 1 BrKNH5C8 ABCD5E8 17.93 10.44 -7.38 -0.27 0
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402575 135056464 1 O3C12H16 A3B12C16 -90.4 2.12 -8.35 -0.1 0
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402576 135056465 1 OF2N2H6C10 AB2C2D6E10 -52.38 2.63 -10.21 -1.02 0
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402577 135056468 1 ZnO2C10H14 AB2C10D14 135.08 3.35 -9.43 -1.75 0
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402578 135056469 1 O3C13H14 A3B13C14 -52.77 3.24 -9.48 -1.04 0
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402579 135056470 1 O2C13H18 A2B13C18 -68.75 2.45 -8.5 0.12 0
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402580 135056471 1 OC14H22 AB14C22 -34.94 0.91 -9.04 0.56 0
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402581 135056472 1 NO3C11H11 AB3C11D11 -13.88 6.04 -9.55 -1.38 0
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402582 135056474 1 NOC11H13 ABC11D13 -8.34 1.9 -9.2 -0.11 0
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402583 135056476 1 NS2O4C16H17 AB2C4D16E17 -78.17 2.41 -8.94 -1.07 0
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402584 135056479 1 OC12H18 AB12C18 -51.58 1.87 -9.33 0.39 0
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402585 135056480 1 NO4C8H17 AB4C8D17 -220.32 2.25 -10.47 0.82 0
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402586 135056482 1 O6C7H14 A6B7C14 -282.9 2.49 -10.38 -0.28 0
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402587 135056484 2 O2C3H6 A2B3C6 -188.1 1.66 -10.46 -0.04 -2
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402588 135056485 1 PC6O9H11 AB6C9D11 -333.37 3.73 -10.55 -2.4 0
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402589 135056487 1 O3C14H14 A3B14C14 -102.76 2.05 -9.33 -0.72 0
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402590 135056488 1 NO3C10H21 AB3C10D21 -186.82 3.49 -9.9 0.82 0
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402591 135056490 1 SO2H4N4C8 AB2C4D4E8 37.06 5.14 -9.14 -1.54 0
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402593 135056492 1 N2O3C11H20 A2B3C11D20 -169.41 3.23 -9.94 0.47 0
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402594 135056495 1 SSiO3C23H40 ABC3D23E40 -158.59 2.35 -8.25 0.32 0
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402595 135056498 2 OC6H8 AB6C8 -73.61 1.76 -8.63 0.34 0
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402596 135056501 1 OC13H16 AB13C16 -17.63 1.31 -9.07 0.28 0
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402597 135056502 1 NOC15H15 ABC15D15 30.79 3.83 -8.91 -0.34 0
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402598 135056503 1 NOC13H19 ABC13D19 -12.31 2.42 -8.59 0.38 0
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402599 135056504 1 BOF3C9H10 ABC3D9E10 -286.73 7.12 -10.07 -0.62 -1
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402600 135056505 1 BOF3C9H11 ABC3D9E11 -280.79 6.85 0.0 0.0 0
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402601 135056512 1 NOSC14H17 ABCD14E17 -4.83 1.75 -8.67 -0.66 0
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402602 135056530 1 O3C13H16 A3B13C16 -81.57 4.26 -8.28 0.2 0
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402603 135056538 1 ClS2N3C11H18 AB2C3D11E18 8.41 2.89 -8.47 -0.59 0