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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42904 8150166 1 O2S2N3C21H21 A2B2C3D21E21 5.77 3.82 -8.51 -1.11 0
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42905 8150168 1 O2S2N3C21H21 A2B2C3D21E21 12.09 4.68 -8.65 -1.06 1
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42906 8150169 1 SO2N3C19H22 AB2C3D19E22 -5.38 6.93 0.0 0.0 0
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42907 8150172 1 SO2N3C22H27 AB2C3D22E27 -45.63 1.53 -8.64 -0.9 1
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42908 8150173 1 SO2N3C22H28 AB2C3D22E28 -29.4 6.68 0.0 0.0 0
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42909 8150174 1 SO2N3C22H27 AB2C3D22E27 -44.44 1.48 -8.65 -0.91 0
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42910 8150176 1 SO2N3C22H27 AB2C3D22E27 -46.7 2.71 -8.67 -0.93 1
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42911 8150177 1 SO2N3C22H28 AB2C3D22E28 -27.68 5.75 0.0 0.0 0
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42912 8150178 1 SO2N3C22H27 AB2C3D22E27 -46.07 3.13 -8.61 -0.86 1
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42913 8150181 1 SN3O4C21H26 AB3C4D21E26 -113.09 15.81 0.0 0.0 0
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42914 8150182 1 SN3O4C21H25 AB3C4D21E25 -126.79 3.57 -9.06 -1.34 0
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42915 10317124 1 NO5C21H25 AB5C21D25 -197.36 2.57 -8.61 -0.9 0
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42916 10317127 1 N3O4C20H25 A3B4C20D25 -90.52 7.18 -8.76 -0.7 0
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42917 10317128 1 N3O4C20H25 A3B4C20D25 -134.9 5.26 -9.18 -0.75 0
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42918 10317139 1 N3O3C21H29 A3B3C21D29 -108.99 4.91 -8.41 0.06 0
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42919 10317143 1 NOC26H29 ABC26D29 54.66 4.64 -8.83 -0.03 0
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42920 10317144 1 ClON5H10C20 ABC5D10E20 139.21 10.36 -9.54 -2.08 0
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42921 10317149 1 ClOS2N3H10C17 ABC2D3E10F17 75.02 3.18 -9.33 -1.29 0
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42923 10317154 1 NCl2O5H15C16 AB2C5D15E16 -209.12 5.75 -9.07 -0.84 0
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42924 10317155 1 PN2F3O5C13H20 AB2C3D5E13F20 -419.53 5.19 -10.81 -0.57 0
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42925 10317171 1 N2O3H20C23 A2B3C20D23 -38.51 4.86 -8.54 -1.05 0
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42926 10317179 1 O3H24C25 A3B24C25 -62.2 0.3 -8.76 -0.62 0
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42927 10317208 1 Cl2O2N4H10C17 A2B2C4D10E17 8.83 5.88 -8.9 -1.22 0
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42928 10317211 1 OCl2N4H14C18 AB2C4D14E18 34.53 5.41 -8.84 -1.37 0
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42929 10317213 1 BrSO3C16H21 ABC3D16E21 -111.73 4.27 -9.98 -0.58 0
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42930 10317232 1 NO3H23C24 AB3C23D24 -60.19 2.55 -8.33 -0.57 0
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42931 10317233 1 NO3H23C24 AB3C23D24 -45.53 4.17 -8.74 -0.42 0
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42932 10317235 1 O3N5C19H27 A3B5C19D27 -29.85 7.35 -8.81 -0.89 0
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42933 10317244 1 NO3C23H35 AB3C23D35 -130.98 5.56 -9.18 0.74 0
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42934 10317246 1 NO2C24H39 AB2C24D39 -137.29 3.16 -9.32 0.17 0
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42935 10317247 1 ClN3O7C14H16 AB3C7D14E16 -227.77 2.22 -9.74 -1.9 0
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42936 10317251 1 ClOSN3C19H20 ABCD3E19F20 7.29 3.92 -8.39 -0.56 0
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42937 10317256 1 Cl2O2N3H13C18 A2B2C3D13E18 0.83 3.75 -9.53 -1.14 0
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42938 10317262 1 BrON3C18H20 ABC3D18E20 -12.77 6.64 -8.37 -0.64 0
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42939 10317267 1 O5H18C23 A5B18C23 -84.99 4.59 -8.43 -1.79 0
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42940 10317281 1 N2O3H22C23 A2B3C22D23 -26.0 4.49 -8.5 -0.69 0
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42941 10317289 1 SO3N4C18H22 AB3C4D18E22 -58.16 8.57 -8.96 -1.1 0
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42942 10317293 1 O3C25H26 A3B25C26 -72.49 4.3 -9.09 -0.44 0
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42943 10317304 2 N2C12H15 A2B12C15 75.85 4.44 -8.48 -0.4 0
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42944 10317318 1 ClO3C22H27 AB3C22D27 -77.53 6.72 -8.78 -1.04 0
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42945 10317320 1 Cl2O2N4H12C17 A2B2C4D12E17 -2.14 2.76 -9.76 -1.82 0
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42946 10317324 1 O2F3N3H16C19 A2B3C3D16E19 -181.61 1.98 -8.68 -0.81 0
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42947 10317336 1 N3O3H21C22 A3B3C21D22 -23.64 9.22 -9.09 -0.83 0
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42948 10317346 1 NSO3H17C22 ABC3D17E22 -14.55 5.25 -8.93 -0.82 0
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42949 10317347 1 SN3O4C18H21 AB3C4D18E21 -75.94 4.5 -8.93 -1.52 0
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42950 10317351 1 N3O4C20H29 A3B4C20D29 -206.47 1.77 -8.92 -0.19 0
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42951 10317358 1 NO4C22H33 AB4C22D33 -201.99 2.81 -9.03 0.05 0
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42952 10317359 1 NOC26H33 ABC26D33 -26.7 3.04 -8.57 -0.47 0
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42953 10317380 4 NOH4C5 ABC4D5 6.71 6.92 -8.48 -1.4 0
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42954 10317381 1 FN2O3H17C22 AB2C3D17E22 -97.33 1.27 -8.81 -1.42 0