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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
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228863 87566001 1 SN2O2H18C19 AB2C2D18E19 55.83 1.68 -9.03 -1.16 0
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228865 87566005 1 ClO2N3F5H23C25 AB2C3D5E23F25 -286.35 6.69 -9.76 -0.98 0
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228866 87566010 1 O2N4S6C19H28 A2B4C6D19E28 -63.65 6.11 -8.27 -1.9 0
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228867 87566013 1 N2O6H10C11 A2B6C10D11 -136.02 9.06 -10.1 -1.09 0
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228868 87566014 1 O7C11H22 A7B11C22 -348.76 4.01 -10.78 -0.29 0
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228869 87566015 1 N2O4C21H26 A2B4C21D26 -88.7 3.73 -8.95 -1.02 0
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228870 87566019 1 O2F6N7C28H29 A2B6C7D28E29 -254.16 2.58 -8.74 -0.98 0
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228871 87566024 1 O6C13H28 A6B13C28 -311.25 3.22 -10.03 0.75 0
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228872 87566026 2 O3C6H11 A3B6C11 -244.61 3.22 -9.91 0.7 0
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228873 87566027 1 O9C11H22 A9B11C22 -404.19 5.3 -10.15 -0.26 0
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228874 87566035 1 O7C10H20 A7B10C20 -331.49 6.9 -10.64 -0.1 0
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228875 87566039 1 ClNO2F5H15C19 ABC2D5E15F19 -303.47 3.98 -9.14 -1.38 0
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228876 87566042 1 S2C13H28 A2B13C28 -62.57 2.31 -9.0 0.39 0
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228877 87566043 1 N2O2C19H20 A2B2C19D20 13.34 5.36 -8.85 -0.47 0
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228878 87566053 1 PSO5C6H11 ABC5D6E11 -275.76 5.95 -10.1 -0.49 0
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228879 87566059 1 NC3Cl9 AB3C9 7.09 1.09 -10.58 -2.22 0
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228880 87566061 1 BrPO6C14H16 ABC6D14E16 -242.16 3.72 -9.35 -0.94 0
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228881 87566062 1 BrPO6C12H14 ABC6D12E14 -253.46 2.42 -9.25 -1.33 0
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228882 87566079 1 FNO3C12H16 ABC3D12E16 -159.07 2.77 -8.98 0.01 0
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228883 87566080 1 ClFNO3C12H17 ABCD3E12F17 -188.82 6.58 -8.99 0.0 0
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228884 87566083 1 NO3F7H12C17 AB3C7D12E17 -430.19 2.67 -10.07 -1.44 0
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228885 87566090 1 SO5C8H14 AB5C8D14 -214.05 4.95 -11.12 -0.51 0
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228886 87566096 1 F3N3O4H20C23 A3B3C4D20E23 -218.48 1.83 -8.79 -1.0 0
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228887 87566103 1 O2N3C18H19 A2B3C18D19 18.19 2.73 -9.12 -0.93 0
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228888 87566104 1 BrNPF2O4C23H29 ABCD2E4F23G29 -311.95 3.86 -9.48 -0.45 0
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228889 87566105 1 BrNPF2O4C23H29 ABCD2E4F23G29 -320.94 7.33 -9.52 -0.5 0
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228890 87566113 1 ClN2O3F7H24C26 AB2C3D7E24F26 -469.52 6.82 -9.88 -0.97 0
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228891 87566123 1 O3C20H24 A3B20C24 -91.43 3.71 -8.95 -0.05 0
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228892 87566125 1 O3C20H24 A3B20C24 -96.59 4.12 -8.87 0.0 0
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228893 87566129 1 OPtSi2C9H18 ABC2D9E18 25.85 0.43 -9.59 -4.3 0
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228894 87566130 1 SN2O5C10H12 AB2C5D10E12 -90.13 4.08 -10.44 -2.01 0
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228895 87566138 1 LiNC14H22 ABC14D22 -2.9 6.9 -6.48 1.25 0
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228896 87566142 1 NSO4C20H33 ABC4D20E33 -149.29 15.74 -9.1 -0.21 0
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228897 87566146 1 OSN3C13H17 ABC3D13E17 -14.65 3.5 -8.95 -0.32 0
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228898 87566148 2 O3C5H11 A3B5C11 -286.32 6.45 -10.37 0.53 0
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228899 87566150 1 O4C7H10 A4B7C10 -172.3 4.56 -11.12 -0.5 0
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228900 87566153 1 ClOF3N3H23C24 ABC3D3E23F24 -139.31 7.34 -9.6 -0.65 0
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228901 87566158 1 O10C15H28 A10B15C28 -469.44 7.11 -10.16 -0.97 0
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228902 87566159 1 FON5H20C21 ABC5D20E21 50.49 1.88 -7.88 -1.35 0
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228903 87566160 1 ClFSN3O3C23H27 ABCD3E3F23G27 -114.15 11.16 -9.08 -0.68 0
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228904 87566167 1 FSO2N4C24H29 ABC2D4E24F29 -23.83 3.93 -8.76 -0.27 0
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228905 87566177 1 FO3N4C20H23 AB3C4D20E23 -127.24 6.45 -8.85 -0.66 0
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228906 87566180 1 SO7H10C11 AB7C10D11 -253.36 10.94 -10.81 -1.39 0
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228907 87566184 1 P3C15O23H31 A3B15C23D31 -1177.74 8.58 -10.16 -0.59 0
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228908 87566185 1 SN2O2C11H12 AB2C2D11E12 -7.93 4.07 -9.34 -1.02 0
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228909 87566187 1 NSC5O6H15 ABC5D6E15 -276.71 8.63 -10.14 0.66 0
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228910 87566189 1 ON3F6H23C25 AB3C6D23E25 -275.4 4.56 -9.68 -1.0 0
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228911 87566191 1 BrO5C18H19 AB5C18D19 -145.4 1.88 -8.59 -0.75 0
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228912 87566194 1 NSO4C16H25 ABC4D16E25 -171.64 10.07 -9.62 -0.5 0
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228913 87566202 1 O4N7H9C12 A4B7C9D12 145.39 5.82 -10.03 -2.13 0