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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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