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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37828 8024932 1 ON3C20H22 AB3C20D22 74.91 4.69 0.0 0.0 0
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37829 8024936 1 S2N3O4C16H21 A2B3C4D16E21 -142.82 3.52 -9.06 -1.44 0
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37830 8024940 1 OS2N4C15H18 AB2C4D15E18 40.53 5.27 -8.64 -1.19 0
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37831 8024942 1 OS2N4C15H18 AB2C4D15E18 40.11 5.45 -8.66 -1.23 0
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37832 8024944 1 S2O3N5C17H19 A2B3C5D17E19 -55.88 8.91 -8.98 -1.52 0
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37833 8024956 1 OS2N4C20H28 AB2C4D20E28 -9.72 5.54 -8.57 -1.17 0
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37834 8024967 1 NF2O3C19H19 AB2C3D19E19 -190.84 2.34 -8.73 -1.6 0
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37835 8024979 1 N2O2C17H32 A2B2C17D32 -96.96 2.92 -8.93 1.33 0
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37836 8024982 1 SO2N4C21H26 AB2C4D21E26 12.26 3.22 -8.64 -0.73 2
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37837 8025008 1 N5C22H39 A5B22C39 123.33 3.21 -6.24 0.04 1
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37838 8025015 1 SN2O4C20H27 AB2C4D20E27 -103.08 8.41 0.0 0.0 1
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37839 8025036 1 ClO3N4C17H22 AB3C4D17E22 -103.56 13.71 0.0 0.0 1
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37840 8025037 1 NOC12H22 ABC12D22 -0.61 2.11 0.0 0.0 0
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37841 8025038 1 NOC12H21 ABC12D21 -23.08 1.5 -8.96 1.3 1
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37842 8025051 1 ON2C23H29 AB2C23D29 19.39 4.42 0.0 0.0 1
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37843 8025053 1 SN2C20H27 AB2C20D27 28.41 3.72 0.0 0.0 1
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37844 8025065 1 BrClSN2O3C13H19 ABCD2E3F13G19 -75.98 4.38 0.0 0.0 0
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37845 8025085 1 ClOSN2H19C20 ABCD2E19F20 3.95 3.49 -8.55 -0.62 0
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37846 8025088 1 NSO2H17C18 ABC2D17E18 -16.66 5.28 -8.98 -0.59 0
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37847 8025090 1 N2S2O4C19H22 A2B2C4D19E22 -102.48 4.56 -9.13 -1.07 0
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37848 8025095 1 O2N4C21H22 A2B4C21D22 45.45 35.43 -7.72 -1.51 0
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37849 8025100 1 SO2N3H15C19 AB2C3D15E19 50.47 4.0 -9.14 -1.42 0
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37850 8025102 1 S2N3O3C19H21 A2B3C3D19E21 -80.46 0.92 -8.71 -1.12 0
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37851 8025103 1 ON2S2H18C19 AB2C2D18E19 37.54 5.05 -8.99 -1.0 0
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37852 8025112 1 NO2C18H19 AB2C18D19 -64.51 3.41 -8.97 -0.68 0
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37853 8025115 1 ClSO2N4H15C20 ABC2D4E15F20 53.95 6.04 -9.16 -1.14 1
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37854 8025117 1 SO3N4C21H27 AB3C4D21E27 -70.39 2.98 0.0 0.0 0
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37855 8025120 1 SN3O3C18H21 AB3C3D18E21 -7.37 9.28 -8.56 -1.24 0
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37856 8025128 1 BrO3C21H23 AB3C21D23 -118.63 1.69 -9.17 -0.45 0
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37857 8025131 1 BrOSF2N2H9C15 ABCD2E2F9G15 -58.89 2.17 -9.15 -1.37 0
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37858 8025149 1 SO3N4H18C20 AB3C4D18E20 -14.48 7.34 -8.56 -1.69 0
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37859 8025154 1 NSO3C18H21 ABC3D18E21 -105.91 3.34 -9.3 -1.13 0
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37860 8025159 1 NO3C21H27 AB3C21D27 -104.62 4.07 -8.39 0.15 0
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37861 8025163 1 SO3N4C19H24 AB3C4D19E24 -72.59 3.4 -8.68 -0.42 0
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37862 8025171 1 NF2O3C19H19 AB2C3D19E19 -190.82 2.18 -8.7 -1.56 0
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37863 8025183 1 ON2C22H26 AB2C22D26 2.47 4.25 -8.75 -0.35 0
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37864 8025185 1 O3N4H16C19 A3B4C16D19 -25.59 5.17 -9.01 -0.54 1
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37865 8025186 1 O3N4C15H25 A3B4C15D25 -137.5 14.4 0.0 0.0 1
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37866 8025192 1 SO2N4C18H19 AB2C4D18E19 50.75 12.49 0.0 0.0 0
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37867 8025195 1 SN2O3C21H28 AB2C3D21E28 -93.65 3.44 -8.35 -1.45 0
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37868 8025197 1 SN2O3C19H26 AB2C3D19E26 -91.13 3.81 -8.51 -1.39 1
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37869 8025198 1 FN6C19H22 AB6C19D22 56.93 3.83 0.0 0.0 0
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37870 8025201 1 OF3N3C21H24 AB3C3D21E24 -166.66 3.5 -7.94 -0.85 0
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37871 8025204 1 SO3N4H18C20 AB3C4D18E20 -54.56 3.49 -8.96 -1.09 0
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37872 8025205 1 SN2O3C18H22 AB2C3D18E22 -50.64 4.17 -8.26 -0.47 -1
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37873 8025206 1 SN2O3H15C19 AB2C3D15E19 -9.79 3.67 0.0 0.0 0
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37874 8025268 1 S2N3O3H17C20 A2B3C3D17E20 -13.67 4.68 -9.04 -0.84 0
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37875 8025270 1 SN3O3H21C23 AB3C3D21E23 -38.65 4.86 -9.22 -1.36 1
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37876 8025274 1 SN2O2C22H29 AB2C2D22E29 -34.64 3.96 0.0 0.0 0
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37877 8025281 1 BrN2O3H17C18 AB2C3D17E18 -55.85 2.77 -9.31 -0.52 0
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37878 8025288 1 N2O2C21H30 A2B2C21D30 -72.23 3.68 -8.55 0.39 0
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37879 8025301 1 O3N4C22H24 A3B4C22D24 -80.59 4.44 -8.95 -0.43 0
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37880 8025303 1 O3N4C22H24 A3B4C22D24 -79.69 5.23 -8.88 -0.43 0
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37881 8025304 1 ON2F3C11H11 AB2C3D11E11 -151.48 2.24 -10.01 -0.85 0
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37882 8025306 1 NF3O3C9H14 AB3C3D9E14 -274.31 3.01 -10.2 -0.8 0
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37883 8025307 1 O2F3H11C17 A2B3C11D17 -170.53 4.15 -9.29 -0.9 0
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37884 8025317 1 NOF3C13H14 ABC3D13E14 -171.06 6.23 -9.36 -0.39 0
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37885 8025323 1 NOSH17C19 ABCD17E19 27.66 3.56 -9.1 -0.73 0
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37886 8025324 1 NOSH17C19 ABCD17E19 27.52 3.65 -9.17 -0.7 -1
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37887 8025330 1 N3O3C17H18 A3B3C17D18 53.74 20.38 0.0 0.0 0
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37888 8025337 1 ClFNOC15H17 ABCDE15F17 -86.38 4.08 -9.18 -0.47 0
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37889 8025344 1 ClOSN4C20H27 ABCD4E20F27 9.38 6.93 -9.11 -0.82 0
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37890 8025347 1 NOF3H18C21 ABC3D18E21 -155.89 6.42 -9.11 -0.68 0
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37891 8025350 1 NOF3H18C21 ABC3D18E21 -156.41 2.34 -9.06 -0.64 0
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37892 8025351 1 FNSO5C19H20 ABCD5E19F20 -235.22 2.18 -8.78 -0.69 0
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37893 8025353 1 FNOH18C20 ABCD18E20 -41.0 3.06 -8.96 -0.53 0
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37894 8025364 1 N2O2F3C18H23 A2B2C3D18E23 -204.32 4.12 -8.8 -0.38 0
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37895 8025375 1 ClON4C22H25 ABC4D22E25 35.97 7.0 -8.86 -0.7 0
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37896 8025392 1 OF2N2H18C21 AB2C2D18E21 -58.3 4.23 -9.19 -0.48 2
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37897 8025393 1 ClON4C18H23 ABC4D18E23 63.57 11.46 -5.48 -0.74 0
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37898 8025396 1 N3O3C21H25 A3B3C21D25 -86.56 2.64 -8.84 -0.54 2
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37899 8025399 1 ON4C23H26 AB4C23D26 99.25 14.9 -5.16 -1.66 0
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37900 8025407 1 N2O3H22C23 A2B3C22D23 -48.3 2.5 -8.4 -0.06 0
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37901 8025410 1 SO2N3C19H25 AB2C3D19E25 -49.56 2.49 -9.02 -1.13 0
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37902 8025433 1 ClN2O2C23H27 AB2C2D23E27 -35.86 2.84 -8.71 -0.84 0