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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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284900 104081534 1 N3O3C14H17 A3B3C14D17 -73.08 2.63 -9.03 -0.43 0
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284901 104081877 1 N2O2S2C13H22 A2B2C2D13E22 -71.83 4.96 -8.65 -0.56 0
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284902 104081878 1 SN2C12H28 AB2C12D28 -30.74 3.41 -8.53 0.75 0
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284903 104081895 1 SN2O2C16H16 AB2C2D16E16 -24.87 1.56 -8.44 -0.59 0
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284904 104081899 1 N3O4C14H23 A3B4C14D23 -161.52 4.33 -8.96 -0.25 0
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284905 104082210 1 BrFO3C13H16 ABC3D13E16 -160.45 3.06 -9.26 -0.56 0
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284906 104082355 4 OC4H6 AB4C6 -168.05 2.0 -8.86 0.13 0
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284907 104082359 1 ClNO3C14H16 ABC3D14E16 -94.0 5.61 -9.48 -0.87 0
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284908 104082381 1 NO4C16H21 AB4C16D21 -129.5 5.72 -8.86 -0.56 0
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284909 104082419 1 SO3C12H18 AB3C12D18 -126.37 5.28 -9.37 -0.42 0
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284910 104082421 1 O4C11H20 A4B11C20 -198.25 3.17 -9.96 0.54 0
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284911 104082424 1 IN2O5C13H13 AB2C5D13E13 -66.02 5.37 -10.37 -2.28 0
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284912 104082462 1 O4C11H20 A4B11C20 -194.24 1.63 -9.79 0.34 0
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284913 104082463 2 O2C5H9 A2B5C9 -196.31 3.56 -10.12 0.41 0
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284914 104082493 1 ClO3C14H19 AB3C14D19 -135.35 3.96 -9.32 -0.08 0
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284915 104082495 1 BrFO3C13H16 ABC3D13E16 -163.96 3.19 -9.32 -0.44 0
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284916 104082645 1 SO2C10H20 AB2C10D20 -129.66 3.22 -8.93 0.07 0
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284917 104083036 1 NSO2C10H19 ABC2D10E19 -109.52 4.13 -8.87 0.42 0
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284918 104083069 1 NO2C12H25 AB2C12D25 -128.25 5.6 -9.53 0.78 0
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284919 104083378 1 NO3C12H25 AB3C12D25 -161.99 4.77 -9.42 0.95 0
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284920 104083404 1 NO2C15H29 AB2C15D29 -130.05 2.18 -8.8 0.91 0
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284921 104083660 1 ClN3O4H6C10 AB3C4D6E10 -15.3 1.92 -10.48 -2.25 0
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284922 104083703 1 BrO2N3H6C9 AB2C3D6E9 0.09 4.79 -10.66 -1.49 0
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284923 104083707 1 ClSN2O4C9H11 ABC2D4E9F11 -137.8 6.64 -10.69 -0.96 0
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284924 104083713 1 BrN2O2C9H11 AB2C2D9E11 -57.01 7.53 -10.41 -1.17 0
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284925 104083715 1 BrN2O2C10H13 AB2C2D10E13 -63.57 7.79 -10.36 -1.19 0
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284926 104084247 1 ClN2S2C9H11 AB2C2D9E11 39.14 5.13 -8.7 -0.77 0
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284927 104084263 1 ClOSC10H19 ABCD10E19 -84.29 2.86 -8.74 0.53 0
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284928 104084265 1 ClSN2C11H19 ABC2D11E19 -1.87 5.33 -8.6 0.42 0
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284929 104084296 1 ClOSC8H17 ABCD8E17 -77.66 1.93 -8.57 0.72 0
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284930 104084381 1 ClSC10H19 ABC10D19 -47.08 2.21 -8.57 0.72 0
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284931 104084424 1 ClSN2F3C8H10 ABC2D3E8F10 -151.45 5.4 -8.91 -0.4 0
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284932 104084446 1 ClSN4C12H17 ABC4D12E17 45.35 4.82 -8.36 0.01 0
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284933 104084467 1 SN2Cl3H11C12 AB2C3D11E12 22.92 3.43 -8.68 -0.77 0
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284934 104084502 1 ClSN2O2C14H17 ABC2D2E14F17 -33.4 2.72 -8.32 -0.2 0
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284935 104084505 1 ClSN2C13H15 ABC2D13E15 32.16 2.99 -8.49 -0.2 0
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284936 104084514 1 ClSN4C11H15 ABC4D11E15 49.25 2.9 -8.67 -0.27 0
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284937 104084532 1 ClSN3C11H12 ABC3D11E12 51.32 3.2 -8.71 -0.59 0
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284938 104084550 2 ClNSC5H5 ABCD5E5 43.38 2.89 -8.76 -0.79 0
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284939 104084576 1 ClSN5C9H12 ABC5D9E12 67.52 1.14 -8.91 -0.56 0
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284940 104084604 1 BrClFSH11C14 ABCDE11F14 -9.79 1.18 -8.83 -0.74 0
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284941 104084606 1 ClSC13H19 ABC13D19 -16.53 3.23 -8.7 -0.41 0
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284942 104084608 1 ClSF2C9H9 ABC2D9E9 -96.59 2.3 -9.02 -0.78 0
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284943 104084699 1 ClOSC11H15 ABCD11E15 -38.54 4.18 -8.65 -0.45 0
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284944 104084770 1 NSCl2C10H13 ABC2D10E13 -6.27 3.74 -9.03 -0.58 0
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284945 104084871 1 ClSF3C12H14 ABC3D12E14 -171.44 3.1 -8.98 -0.58 0
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284946 104084911 1 ClOSC13H19 ABCD13E19 -51.84 2.07 -8.79 0.33 0
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284947 104084972 1 ClOSC9H17 ABCD9E17 -77.22 2.67 -8.86 0.42 0
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284948 104084989 1 ClSC10H21 ABC10D21 -54.51 0.77 -8.53 0.76 0
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284949 104084997 1 ClNSC14H16 ABCD14E16 21.02 1.52 -8.66 -0.73 0
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284950 104085383 1 SN2O2C12H18 AB2C2D12E18 -79.97 4.99 -8.79 -0.36 0
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284951 104085384 1 FNSO2C11H16 ABCD2E11F16 -126.77 2.24 -8.25 -0.46 0
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284952 104085437 1 OSN2C12H14 ABC2D12E14 -7.75 6.38 -8.2 -0.86 0
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284953 104085445 1 OSN2C9H14 ABC2D9E14 -34.86 3.61 -8.35 -0.24 0
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284954 104085483 1 NOSC12H19 ABCD12E19 -47.21 0.94 -8.92 -0.03 0
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284955 104085576 1 ClNOS2C11H18 ABCD2E11F18 -47.74 2.45 -9.18 -0.74 0
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284956 104085633 1 ClSN2O2C11H15 ABC2D2E11F15 -92.56 1.71 -8.5 -0.4 0
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284957 104085634 1 NOSC13H21 ABCD13E21 -54.94 1.3 -8.84 0.14 0
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284958 104085635 1 BrNOSC11H16 ABCDE11F16 -32.65 3.42 -9.02 -0.48 0
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284959 104085782 1 SO2N3C13H15 AB2C3D13E15 -7.96 3.0 -9.02 -1.04 0
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284960 104085831 1 OSF3N3C10H12 ABC3D3E10F12 -164.34 2.85 -9.5 -1.46 0
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284961 104085833 1 FOSN2C10H13 ABCD2E10F13 -61.22 2.1 -9.2 -1.01 0
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284962 104085835 1 OSN3C13H19 ABC3D13E19 -27.86 5.07 -8.86 -0.48 0
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284963 104085836 1 FOSN2C10H13 ABCD2E10F13 -62.17 1.41 -9.35 -0.89 0
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284964 104085868 1 OSN2C10H22 ABC2D10E22 -65.12 4.45 -8.75 0.53 0
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284965 104085869 1 SN2O2C12H18 AB2C2D12E18 -57.25 4.33 -8.87 -0.3 0
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284966 104085911 1 NOSC12H19 ABCD12E19 -41.12 2.92 -8.83 -0.33 0
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284967 104085945 1 ClNOSC11H16 ABCDE11F16 -47.91 3.37 -8.96 -0.51 0
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284968 104086038 1 ClSO2N3C9H14 ABC2D3E9F14 -62.48 3.57 -9.57 -1.04 0
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284969 104086341 1 ClSN2H11C13 ABC2D11E13 58.87 4.75 -9.12 -1.44 0
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284970 104086357 1 ClNOSC10H14 ABCDE10F14 -36.24 4.95 -8.46 -0.36 0
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284971 104086358 1 ClNSC10H10 ABCD10E10 33.64 4.38 -9.2 -1.01 0
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284972 104086390 1 ClNOSC9H12 ABCDE9F12 -26.99 2.35 -8.56 -0.44 0
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284973 104086407 1 ClN2S2C6H9 AB2C2D6E9 21.42 1.04 -9.24 -0.86 0
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284974 104086816 1 OS2C8H12 AB2C8D12 -30.17 2.36 -8.72 -0.14 0
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284975 104086973 1 SO3C12H16 AB3C12D16 -111.88 4.78 -8.85 -0.6 0
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284976 104087082 1 FSO2C13H15 ABC2D13E15 -90.6 1.7 -9.04 -0.79 0
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284977 104087199 1 NSO3C15H29 ABC3D15E29 -157.41 1.2 -8.87 0.49 0
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284978 104087338 1 SN2O2C9H20 AB2C2D9E20 -114.19 5.12 -8.66 0.63 0
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284979 104087374 1 NSO3C11H23 ABC3D11E23 -165.82 3.19 -8.73 0.39 0
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284980 104087450 1 OSN2C12H20 ABC2D12E20 -41.59 2.0 -8.46 -0.18 0
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284981 104087454 1 OS2N3C6H11 AB2C3D6E11 -7.16 2.84 -9.08 -1.02 0
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284982 104087560 1 NSO3C10H13 ABC3D10E13 -110.76 4.57 -9.37 -1.28 0
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284983 104087811 1 NS2O4C9H13 AB2C4D9E13 -88.47 3.59 -9.13 -1.6 0
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284984 104087921 1 NOSC11H25 ABCD11E25 -88.78 2.8 -8.68 0.64 0
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284985 104088220 1 OSN5C14H25 ABC5D14E25 -34.44 5.36 -8.99 -0.06 0
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284986 104088251 1 OSN5C12H21 ABC5D12E21 -23.1 4.21 -8.96 0.06 0
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284987 104088253 1 OSN7C10H15 ABC7D10E15 52.58 5.65 -9.46 -1.23 0
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284988 104088283 1 OSN3C10H15 ABC3D10E15 -8.41 2.37 -9.09 -0.36 0
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284989 104088294 1 OSN3C9H15 ABC3D9E15 -31.41 3.63 -9.01 -0.42 0
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284990 104088295 1 SO2N5C12H21 AB2C5D12E21 -56.67 3.95 -9.07 -0.12 0
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284991 104088301 1 SO2N4C9H16 AB2C4D9E16 -60.73 4.19 -9.23 -0.48 0
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284992 104088302 1 SN2O3C9H12 AB2C3D9E12 -50.05 5.76 -8.76 -1.21 0
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284993 104088413 1 OSN4C13H16 ABC4D13E16 25.77 1.42 -9.24 -0.93 -1
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284994 104088806 1 BOSF3C8H9 ABCD3E8F9 -273.98 7.89 0.0 0.0 0
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284995 104089010 1 NO2C16H23 AB2C16D23 -26.73 2.79 -8.4 0.2 0
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284996 104089051 1 BrNO2C16H22 ABC2D16E22 -14.0 4.41 -8.98 -0.33 0
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284997 104089057 1 BrNO2C17H24 ABC2D17E24 -21.14 4.64 -8.92 -0.29 0
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284998 104089146 1 NO2C17H25 AB2C17D25 -39.1 2.39 -8.24 0.28 0
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284999 104089150 1 NO2C18H27 AB2C18D27 -43.82 4.7 -8.45 0.15 0