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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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43914 10321975 1 SO2N5C25H25 AB2C5D25E25 33.08 6.63 -8.52 -0.91 0
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43915 10321976 1 NS2O5C23H25 AB2C5D23E25 -106.67 8.73 -9.46 -0.76 0
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43916 10321977 1 O4N5C24H37 A4B5C24D37 -183.49 4.62 -9.63 0.09 0
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43917 10321978 1 ON7C26H33 AB7C26D33 93.23 12.52 -8.53 -1.17 0
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43918 10321979 1 NS3O6C19H25 AB3C6D19E25 -215.94 10.07 -9.64 -0.66 0
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43919 10321980 1 SN5O5C20H37 AB5C5D20E37 -257.06 10.01 -9.13 0.16 0
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43920 10321987 1 NSO3C27H41 ABC3D27E41 -127.92 3.89 -8.54 0.28 0
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43921 10322060 1 FN3O5C24H32 AB3C5D24E32 -253.91 13.34 -8.49 -0.56 0
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43922 10322064 1 NO5C28H31 AB5C28D31 -166.24 3.86 -8.88 -0.64 0
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43923 10322068 1 N3O4C27H31 A3B4C27D31 -112.29 10.03 -9.2 -0.93 0
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43924 10322072 1 NO4C29H35 AB4C29D35 -126.71 3.49 -8.82 0.06 0
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43925 10322076 1 NSO4C26H39 ABC4D26E39 -210.89 4.08 -8.64 -0.34 0
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43926 10322078 1 SN2Cl3O4H15C18 AB2C3D4E15F18 -149.83 3.95 -9.21 -1.24 2
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43927 10322080 1 ClFeN3C25H28 ABC3D25E28 286.76 7.14 -7.14 -1.33 0
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43928 10322100 1 N2F3O4C24H25 A2B3C4D24E25 -304.7 3.39 -8.44 -0.73 0
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43929 10322114 2 NO2C14H17 AB2C14D17 -102.58 3.36 -8.68 -0.02 -1
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43930 10322117 1 NS2O5C23H28 AB2C5D23E28 -139.97 9.51 0.0 0.0 0
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43931 10322121 1 SN2O3C27H30 AB2C3D27E30 -82.11 3.08 -8.88 -0.57 0
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43932 10322132 1 O5C28H46 A5B28C46 -266.8 5.27 -9.42 1.09 0
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43933 10322141 1 ClO6C25H31 AB6C25D31 -252.13 7.44 -8.47 -0.27 0
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43934 10322142 1 ClN2O2C28H31 AB2C2D28E31 -38.82 3.47 -8.24 -0.72 0
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43935 10322173 1 NO3C30H41 AB3C30D41 -149.73 4.64 -8.16 0.03 0
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43936 10322188 1 Cl2N3O3C23H27 A2B3C3D23E27 -76.39 4.32 -7.85 -0.72 0
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43937 10322193 2 FON4H9C11 ABC4D9E11 45.43 6.85 -8.91 -1.2 0
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43938 10322217 1 S2N4O4C21H28 A2B4C4D21E28 -138.69 6.87 -8.94 -0.68 1
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43939 10322220 1 PN2O5C23H50 AB2C5D23E50 -329.06 4.48 0.0 0.0 0
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43940 10322254 1 SN3O4C25H27 AB3C4D25E27 -79.62 5.47 -8.95 -1.04 0
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43941 10322255 1 FON7C25H32 ABC7D25E32 4.99 11.95 -9.14 -0.72 0
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43942 10322256 1 N3O4C27H35 A3B4C27D35 -153.33 4.42 -8.76 -0.6 0
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43943 10322257 1 O2N3C30H31 A2B3C30D31 -6.57 5.39 -8.09 -1.42 0
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43944 10322258 1 FO2N3C28H36 AB2C3D28E36 -77.55 4.12 -8.16 -0.48 0
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43945 10322259 1 SN3O5C23H35 AB3C5D23E35 -237.68 6.88 -9.06 -0.21 0
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43946 10322265 1 NSiO5C25H43 ABC5D25E43 -274.8 1.93 -8.49 -0.11 0
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43947 10322267 1 NO2S2C26H43 AB2C2D26E43 -149.77 2.32 -9.4 -0.95 0
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43948 10322285 1 N2F4O4H22C23 A2B4C4D22E23 -325.51 6.64 -9.27 -0.99 0
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43949 10322310 2 NO2C14H19 AB2C14D19 -117.68 2.57 -8.65 -0.24 0
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43950 10322324 1 ClSN2O4C23H31 ABC2D4E23F31 -163.02 4.64 -9.81 -1.05 0
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43951 10322331 1 BrO2N6H19C21 AB2C6D19E21 42.92 6.94 -9.65 -1.2 0
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43952 10322335 1 N5O7H21C22 A5B7C21D22 -233.13 6.67 -8.81 -0.91 0
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43953 10322386 1 N4O5C25H32 A4B5C25D32 -146.39 3.66 -8.63 -0.59 0
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43954 10322395 1 SN4O6C21H32 AB4C6D21E32 -255.3 5.84 -9.0 -0.63 0
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43955 10322400 1 FON2C31H33 ABC2D31E33 -25.77 3.49 -8.29 -0.48 0
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43956 10322405 2 NO2C14H20 AB2C14D20 -131.92 5.05 -8.12 0.28 0
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43957 10322413 1 Si2O3C27H40 A2B3C27D40 -185.89 1.82 -8.68 0.12 0
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43958 10322418 1 ClF2N2O3H19C25 AB2C2D3E19F25 -133.43 2.91 -8.84 -0.84 0
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43959 10322433 1 NSO2F6H13C22 ABC2D6E13F22 -308.7 4.42 -9.01 -1.12 0
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43960 10322464 1 SN8C16H24 AB8C16D24 97.05 4.81 -8.49 -0.27 0
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43961 10322467 1 ClSN3O3C24H24 ABC3D3E24F24 -38.55 6.36 -8.75 0.04 0
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43962 10322468 1 ClSN3O3C24H24 ABC3D3E24F24 -42.44 7.44 -8.83 -0.11 0
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43963 10322472 1 ION2C23H23 ABC2D23E23 63.6 14.54 -7.28 -1.61 0