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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228811 87565854 1 NSO5C7H15 ABC5D7E15 -195.1 5.23 -10.64 -0.08 0
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228812 87565856 1 N4O19C63H82 A4B19C63D82 -804.66 8.98 -9.62 -0.73 0
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228813 87565859 2 O3C6H13 A3B6C13 -323.35 3.69 -9.61 0.48 0
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228814 87565862 1 N3O3F5H26C27 A3B3C5D26E27 -275.71 4.04 -8.81 -1.31 0
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228815 87565863 1 O2N3F6H23C25 A2B3C6D23E25 -300.6 4.12 -8.89 -1.66 0
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228816 87565864 2 FN2O6C29H34 AB2C6D29E34 -526.79 7.3 -9.44 -0.45 0
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228817 87565865 2 FN2O6C29H34 AB2C6D29E34 -531.41 6.83 -9.38 -0.47 0
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228818 87565866 1 S2O3C6H12 A2B3C6D12 -138.28 2.26 -9.22 -0.49 1
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228819 87565867 1 N2O2C25H25 A2B2C25D25 36.22 5.05 0.0 0.0 0
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228820 87565872 1 O9C11H20 A9B11C20 -421.25 11.08 -10.65 0.03 0
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228821 87565874 1 SF3N3O7C22H30 AB3C3D7E22F30 -445.26 6.46 -9.3 -0.73 0
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228822 87565875 1 SN3O5C20H29 AB3C5D20E29 -203.46 1.46 -9.11 -0.52 0
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228823 87565880 1 O5C10H18 A5B10C18 -254.44 4.17 -10.66 0.2 0
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228824 87565884 1 NSO3F6H27C28 ABC3D6E27F28 -403.35 7.69 -8.68 -0.88 0
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228825 87565885 1 ClFO2S2N3C21H23 ABC2D2E3F21G23 -56.74 6.65 -9.18 -0.76 0
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228826 87565886 1 FO2S2N3C21H22 AB2C2D3E21F22 -21.09 3.92 -9.11 -0.56 0
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228827 87565890 1 ON2C8H20 AB2C8D20 -49.73 2.37 -8.53 2.03 0
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228828 87565894 1 O3N5F6C19H19 A3B5C6D19E19 -328.3 4.39 -9.5 -1.33 0
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228829 87565896 1 FNO2S2C23H24 ABC2D2E23F24 -47.7 2.16 -8.83 -0.4 0
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228830 87565898 1 N2O12C29H50 A2B12C29D50 -625.66 8.77 -10.15 -0.01 0
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228831 87565900 1 O9C10H20 A9B10C20 -405.35 6.26 -10.48 -0.14 0
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228832 87565901 1 NSO4C14H21 ABC4D14E21 -142.81 14.5 -9.23 -0.45 0
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228833 87565902 2 O5C7H13 A5B7C13 -480.95 6.99 -10.48 -0.53 0
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228834 87565904 1 O9C14H26 A9B14C26 -439.22 5.87 -10.65 -0.58 0
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228835 87565911 1 O7C18H38 A7B18C38 -361.33 4.8 -10.01 0.44 -4
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228837 87565918 1 O10C11H20 A10B11C20 -455.57 3.59 -10.41 -0.32 0
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228838 87565922 1 Cl2O2N5F6H13C17 A2B2C5D6E13F17 -301.16 6.36 -9.64 -1.56 0
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228839 87565927 1 ClNOSiC5H14 ABCDE5F14 -65.91 3.82 -9.25 -1.0 0
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228840 87565930 1 FSO3N4C24H29 ABC3D4E24F29 -73.07 3.35 -9.2 -0.47 0
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228841 87565931 1 BrNOC8H16 ABCD8E16 -86.75 7.41 -9.39 0.25 0
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228842 87565932 1 NSO4C16H25 ABC4D16E25 -150.18 14.62 -9.13 -0.06 1
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228843 87565933 1 NSO4C16H24 ABC4D16E24 -144.44 3.53 0.0 0.0 -2
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228845 87565938 1 SiZrCl2C38H40 ABC2D38E40 35.38 4.51 -7.36 -1.34 0
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228846 87565943 1 PSF2N2O7C30H37 ABC2D2E7F30G37 -408.53 6.15 -8.85 -0.93 0
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228847 87565944 1 PSF2N2O7C30H37 ABC2D2E7F30G37 -408.69 6.03 -8.77 -0.94 0
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228848 87565951 1 BrPSF2N2O6C30H36 ABCD2E2F6G30H36 -368.04 6.49 -9.28 -0.92 0
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228849 87565956 1 N2O5C7H14 A2B5C7D14 -212.49 2.81 -9.74 0.15 0
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228850 87565964 1 PCl2F2N2O7C31H35 AB2C2D2E7F31G35 -440.88 1.93 -9.0 -0.42 0
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228851 87565967 1 N2O4C15H20 A2B4C15D20 -130.07 2.74 -9.64 -0.51 0
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228852 87565968 1 PSF2N2O6C30H31 ABC2D2E6F30G31 -331.63 7.86 -9.28 -1.51 0
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228853 87565973 1 PSF2N3O6H26C28 ABC2D3E6F26G28 -304.03 6.58 -8.03 -1.13 0
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228854 87565974 1 S5O12N14C32H32 A5B12C14D32E32 -161.14 10.23 -9.16 -1.55 0
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228855 87565979 1 SN5O5F6H21C26 AB5C5D6E21F26 -437.22 7.27 -9.42 -1.36 0
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228856 87565983 1 ClN2O2F3C10H10 AB2C2D3E10F10 -161.35 2.36 -8.7 -0.72 0
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228857 87565985 1 ClFON4C23H24 ABCD4E23F24 -18.95 2.61 -9.57 -1.02 1
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228858 87565988 1 O3N4C22H25 A3B4C22D25 -36.08 6.98 0.0 0.0 0
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228859 87565990 1 S3N6O13H52C53 A3B6C13D52E53 -276.91 5.74 -8.88 -1.26 0
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228860 87565991 1 SN5O7H15C19 AB5C7D15E19 -108.0 5.31 -8.3 -2.09 0
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228861 87565997 1 ZrCl2C15H22 AB2C15D22 114.23 5.77 -7.39 -2.24 0
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228862 87565998 2 Cl2H12C21 A2B12C21 155.9 4.33 -7.88 -1.42 0