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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403513 135060623 1 SN2O2H20C29 AB2C2D20E29 66.64 7.5 -8.67 -1.01 0
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403514 135060624 1 SN2O2H20C26 AB2C2D20E26 56.02 7.31 -8.67 -0.97 0
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403515 135060625 1 N2O5H26C30 A2B5C26D30 -57.36 1.17 -8.46 -0.88 0
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403516 135060626 2 N2C10H13 A2B10C13 70.98 2.47 -8.22 -0.56 1
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403517 135060627 1 N2H21C25 A2B21C25 103.15 1.57 0.0 0.0 0
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403518 135060628 1 N2F3O3H13C21 A2B3C3D13E21 -181.12 1.61 -9.09 -1.51 0
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403519 135060631 1 ON2H10C12 AB2C10D12 8.74 5.17 -8.45 -0.43 0
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403520 135060633 1 ON2H24C31 AB2C24D31 80.53 2.48 -7.99 -0.52 0
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403521 135060643 1 N2C19H22 A2B19C22 29.34 0.69 -7.64 0.08 0
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403522 135060646 1 BrIN2O4C29H32 ABC2D4E29F32 -115.41 3.22 -8.28 -0.9 0
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403523 135060650 1 BrN2H15C23 AB2C15D23 114.66 5.12 -8.52 -0.78 0
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403524 135060659 1 SiC14H22 AB14C22 -28.01 0.71 -9.13 0.37 0
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403525 135060660 1 NO2C11H21 AB2C11D21 -62.34 3.52 -9.24 0.43 0
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403526 135060678 1 BrSN2O2H17C20 ABC2D2E17F20 -17.92 3.49 -8.7 -0.96 0
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403527 135060741 1 SSiO2C18H22 ABC2D18E22 -63.33 6.96 -8.99 -0.38 0
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403528 135060742 1 BrSiC17H19 ABC17D19 22.14 4.07 -8.61 -0.17 0
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403529 135060744 1 OSiC15H22 ABC15D22 -45.65 4.5 -9.43 -0.23 0
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403530 135060745 1 BSiO5C27H35 ABC5D27E35 -289.3 4.91 -9.29 -0.43 0
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403531 135060746 1 BSiO5C26H35 ABC5D26E35 -286.42 5.16 -8.57 0.05 0
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403532 135060747 1 SiO2C18H20 AB2C18D20 -43.74 2.13 -8.31 0.08 0
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403533 135060749 1 BSiO2C21H35 ABC2D21E35 -200.39 2.2 -8.55 0.41 0
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403534 135060750 1 BSi2O3C29H49 AB2C3D29E49 -277.82 2.88 -8.64 0.36 0
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403535 135060751 1 OSiC18H22 ABC18D22 -19.43 2.15 -8.49 0.34 0
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403536 135060752 1 SiO2C19H28 AB2C19D28 -116.88 5.0 -9.12 0.19 0
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403537 135060753 1 NSSiO4C21H31 ABCD4E21F31 -154.28 3.24 -8.06 0.09 0
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403538 135060754 1 SiO2C22H28 AB2C22D28 -74.39 3.29 -8.28 0.14 0
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403539 135060755 1 OSiF3C22H25 ABC3D22E25 -199.44 4.15 -8.98 -0.34 0
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403540 135060756 1 OSiC15H24 ABC15D24 -64.51 3.84 -9.33 0.09 0
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403541 135060757 1 OSiC17H24 ABC17D24 -45.2 3.9 -9.4 -0.03 0
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403542 135060760 1 N3O3C16H29 A3B3C16D29 -146.52 5.14 -9.56 0.04 0
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403543 135060761 1 OH20C25 AB20C25 61.37 3.02 -9.24 -0.59 0
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403544 135060762 1 F3O4H13C19 A3B4C13D19 -248.43 4.71 -10.13 -1.38 0
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403545 135060763 2 NO3C8H8 AB3C8D8 -70.96 6.55 -9.47 -0.53 0
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403546 135060764 2 NO2C6H12 AB2C6D12 -74.52 7.32 -11.19 -0.62 0
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403547 135060765 1 O3H12C14 A3B12C14 -51.04 2.82 -9.56 -0.45 -4
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403549 135060768 2 NOH9C10 ABC9D10 30.28 3.37 -7.96 -0.02 -4
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403551 135060770 1 ON2H22C24 AB2C22D24 70.33 2.83 -7.79 -0.38 0
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403552 135060771 2 NO2C13H13 AB2C13D13 -105.17 5.52 -8.71 -0.1 0
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403553 135060772 1 OC18H28 AB18C28 -39.48 1.69 -8.5 1.21 0
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403554 135060773 1 OC23H34 AB23C34 -74.13 3.24 -8.79 0.49 0
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403555 135060774 1 O5C19H20 A5B19C20 -171.33 8.41 -10.05 -0.96 0
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403556 135060775 2 NSi6C18H46 AB6C18D46 -306.15 2.62 -6.84 -0.17 0
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403557 135060782 1 FSO2H19C21 ABC2D19E21 -49.76 5.87 -8.31 -0.27 0
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403558 135060786 1 FN2O14C37H49 AB2C14D37E49 -653.86 2.63 -8.82 -0.37 0
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403559 135060790 1 FNO3H16C18 ABC3D16E18 -114.87 2.84 -8.82 -0.66 0
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403560 135060791 1 FNO2H18C23 ABC2D18E23 -45.74 4.54 -9.01 -1.01 0
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403561 135060806 1 FSO2C19H23 ABC2D19E23 -96.09 4.64 -7.7 -0.12 0
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403562 135060807 1 FSN2O3C11H11 ABC2D3E11F11 -86.41 7.67 -9.84 -1.1 0
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403563 135060808 1 FSO2N3H14C16 ABC2D3E14F16 -19.51 5.05 -9.4 -0.93 0
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403565 135060842 1 ClS2H15C19 AB2C15D19 71.07 0.96 -8.67 -0.55 0