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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224814 85389160 1 OSTeWC11H11 ABCDE11F11 -98.09 4.02 0.0 0.0 0
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224815 85392679 1 NSiO10C36H47 ABC10D36E47 -332.5 8.68 -8.82 -1.06 0
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224816 85395733 1 SiO4C27H44 AB4C27D44 -213.09 1.88 -8.78 0.6 0
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224817 85402679 1 SiO3C21H34 AB3C21D34 -166.38 2.25 -8.97 0.29 0
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224818 85403370 1 NVO4C23H41 ABC4D23E41 -271.08 6.19 0.0 0.0 0
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224819 85404544 2 SiO3C26H37 AB3C26D37 -314.7 4.31 -8.74 0.01 0
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224820 85406103 1 SiO2N3C16H33 AB2C3D16E33 -116.78 4.58 -9.08 0.25 0
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224821 85411833 2 N2O3C22H22 A2B3C22D22 -140.57 1.74 -8.77 -0.64 0
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224822 85412953 1 FSO2C14H19 ABC2D14E19 -106.26 3.21 -8.34 -0.03 0
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224823 85415732 20 C3H4 A3B4 102.32 2.44 -7.7 -0.4 0
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224824 85417679 1 NO5C22H35 AB5C22D35 -253.34 2.64 -9.89 0.11 0
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224825 85421198 1 PN2O6C15H25 AB2C6D15E25 -317.13 5.3 -9.95 -0.13 0
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224826 85421766 1 NO6C23H35 AB6C23D35 -242.37 1.28 -8.28 -0.13 0
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224827 85422721 1 Cl2O3N4C29H30 A2B3C4D29E30 -57.9 3.87 -8.3 -0.41 0
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224828 85423584 1 O12N16C53H76 A12B16C53D76 -481.29 9.95 -8.5 0.0 0
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224829 85427132 1 O11C54H58 A11B54C58 -317.54 3.73 -9.46 -0.16 1
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224830 85427679 1 N2O3C12H19 A2B3C12D19 -57.67 6.83 0.0 0.0 0
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224832 85433311 1 NSO3H15C16 ABC3D15E16 -53.98 3.73 -8.81 -1.4 0
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224833 85434548 1 O4N7C30H41 A4B7C30D41 -128.65 6.89 -8.83 -0.51 0
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224834 85437576 1 OSN2C13H18 ABC2D13E18 -29.39 6.28 -8.48 -0.07 0
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224835 85438352 1 ClN4H15C21 AB4C15D21 156.2 7.65 -9.27 -1.36 0
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224836 85439556 1 NO2H9C10 AB2C9D10 -23.38 5.75 -9.49 -1.57 0
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224837 85441075 1 SO2H14C17 AB2C14D17 -8.2 2.12 -8.83 -0.64 0
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224838 85444484 1 NO2C15H17 AB2C15D17 -51.95 3.21 -9.46 -0.39 0
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224839 85446390 1 ClBr2O5H21C32 AB2C5D21E32 -88.85 4.73 -8.88 -1.88 0
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224840 85447540 1 O3C7H8 A3B7C8 -92.89 3.9 -10.89 0.3 0
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224841 85451356 1 ClON2C15H15 ABC2D15E15 -0.95 3.98 -9.43 -1.09 0
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224842 85455323 1 ClO3N4C17H21 AB3C4D17E21 -33.28 8.02 -8.48 -1.68 1
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224844 85460328 1 ClN2O3C24H29 AB2C3D24E29 -80.92 4.11 -8.59 -0.57 0
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224845 85462449 1 N4O4H16C21 A4B4C16D21 10.65 7.84 -9.24 -1.63 0
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224847 85464524 2 ON2C11H13 AB2C11D13 -26.05 4.21 -8.51 0.28 0
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224848 85470612 1 OF2N4C10H10 AB2C4D10E10 -43.99 4.22 -9.65 -1.42 0
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224849 85471305 1 N3O11C43H81 A3B11C43D81 -572.86 3.18 -8.56 0.68 1
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224850 85473759 1 N4O4C21H31 A4B4C21D31 -109.54 1.93 0.0 0.0 0
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224852 85475341 1 O2N6H16C21 A2B6C16D21 110.02 7.89 -9.13 -1.74 0
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224853 85480568 1 ON4C22H34 AB4C22D34 -39.42 4.29 -8.49 -0.02 0
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224854 85483828 2 BrNOH2C4 ABCD2E4 -26.13 5.16 -10.65 -2.55 0
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224855 85484373 1 NO3C22H29 AB3C22D29 -117.61 3.69 -8.35 -0.38 1
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224856 85488184 1 BrNOC25H35 ABCD25E35 -7.42 9.71 0.0 0.0 1
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224858 85489304 1 O3N5C21H39 A3B5C21D39 -177.37 5.82 -9.14 0.16 -1
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224859 85498063 1 OS2N4C13H15 AB2C4D13E15 82.2 6.42 0.0 0.0 0
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224860 85501766 1 ClSN3O3H22C24 ABC3D3E22F24 -12.64 2.18 -9.1 -1.1 0
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224861 85502550 1 ClSO2N3H12C16 ABC2D3E12F16 16.11 2.45 -9.02 -1.15 0
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224863 85507135 1 N2O6C25H28 A2B6C25D28 -129.69 3.02 -7.85 -0.69 0
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224864 85507136 1 ClSO2N6H13C16 ABC2D6E13F16 66.1 7.4 -9.39 -1.79 0
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224865 85518291 1 FON2H19C20 ABC2D19E20 -20.84 4.03 -8.42 -0.78 0
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224868 85523663 2 NO2C9H9 AB2C9D9 -91.45 6.49 -9.14 -0.15 0
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224869 85529195 1 NOSH15C19 ABCD15E19 39.0 3.02 -8.55 -1.73 0
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224870 85532538 1 O5C10H16 A5B10C16 -238.38 4.71 -10.5 -0.15 0
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224871 85532684 1 OSH20C23 ABC20D23 98.66 2.97 -8.53 -1.28 0