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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140613 52729952 1 ClON3H20C21 ABC3D20E21 26.34 6.01 -8.43 -0.87 1
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140614 52730219 1 BrO2N4C20H28 AB2C4D20E28 -5.98 7.18 0.0 0.0 0
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140615 52730408 1 N3O3C23H29 A3B3C23D29 -110.97 4.61 -8.99 -0.17 1
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140616 52730701 1 O2N3C23H24 A2B3C23D24 -16.67 2.24 0.0 0.0 0
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140617 52730780 1 O2N3C19H21 A2B3C19D21 -41.61 7.37 -9.12 -0.64 0
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140618 52730781 1 N3O3H17C18 A3B3C17D18 -62.76 6.84 -9.19 -0.76 1
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140619 52730782 1 O3N5C20H20 A3B5C20D20 -41.23 8.66 0.0 0.0 1
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140620 52730822 1 O3N4H23C25 A3B4C23D25 -3.04 5.09 0.0 0.0 0
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140621 52731211 1 N3O8C20H29 A3B8C20D29 -249.97 4.19 -9.16 -1.14 0
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140622 52731316 1 FIOSN2H10C16 ABCDE2F10G16 21.59 4.65 -9.17 -1.32 0
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140623 52731555 1 N4H18C19 A4B18C19 98.93 3.91 -8.42 -0.74 0
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140624 52731677 1 OCl2N2H10C11 AB2C2D10E11 11.94 2.8 -9.39 -0.36 0
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140625 52731689 1 ClSN3O3H16C18 ABC3D3E16F18 -36.16 1.79 -9.38 -0.92 0
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140626 52731918 1 N3O3C29H29 A3B3C29D29 -19.08 5.57 -7.85 -0.62 0
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140627 52731919 1 O2N3C27H31 A2B3C27D31 -43.01 3.05 -7.99 -0.17 0
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140628 52731920 1 O2N3C27H31 A2B3C27D31 -45.96 3.82 -7.82 -0.32 0
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140629 52731952 1 SO3N4H22C24 AB3C4D22E24 -11.97 1.95 -9.27 -0.75 0
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140630 52732261 1 OCl2N3H17C18 AB2C3D17E18 12.28 8.0 -8.94 -0.57 0
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140631 52732262 1 OCl2N3H17C18 AB2C3D17E18 11.72 8.59 -8.75 -0.87 1
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140632 52732263 1 O2N3C25H32 A2B3C25D32 -20.32 8.39 0.0 0.0 0
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140633 52733146 1 F3N3O3C17H22 A3B3C3D17E22 -273.92 5.42 -9.64 -1.07 0
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140634 52733953 1 F2N3O3H23C24 A2B3C3D23E24 -141.4 2.18 -9.1 -0.75 0
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140635 52733985 1 FNCl2O3H14C17 ABC2D3E14F17 -149.77 2.69 -9.75 -0.97 0
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140636 52734241 1 OSCl2N5H17C20 ABC2D5E17F20 101.09 4.65 -8.97 -0.92 0
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140637 52734242 1 OSCl2N5C17H19 ABC2D5E17F19 56.72 5.03 -9.06 -0.97 0