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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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158889 57244144 1 HSO2C4F9 ABC2D4E9 -549.25 2.67 -10.59 -1.51 0
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158890 57244146 1 NSO4C7H7 ABC4D7E7 -116.48 4.27 -10.06 -1.18 0
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158891 57244149 1 N2O5H22C29 A2B5C22D29 -83.31 6.76 -9.47 -1.84 0
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158892 57244152 1 N2O4H16C17 A2B4C16D17 -97.77 4.85 -9.55 -1.0 0
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158893 57244153 1 SN2O4C17H20 AB2C4D17E20 -128.3 9.29 -8.44 -0.55 -1
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158894 57244154 1 NSO2H6C9 ABC2D6E9 0.8 5.66 0.0 0.0 0
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158896 57244157 2 N2C5H8 A2B5C8 58.77 4.87 -9.63 0.42 0
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158897 57244158 1 SN6O7C27H28 AB6C7D27E28 -191.33 8.19 -9.28 -0.98 0
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158898 57244159 1 ClO4C14H15 AB4C14D15 -157.56 4.13 -9.87 -0.5 0
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158899 57244161 1 NSO7C15H21 ABC7D15E21 -240.48 8.87 -9.45 -1.77 0
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158900 57244162 1 S3O8N10C23H24 A3B8C10D23E24 -65.41 4.0 -8.97 -1.56 0
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158901 57244165 1 ClN3O3F6H22C26 AB3C3D6E22F26 -376.39 2.06 -9.02 -1.36 0
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158902 57244168 1 N2O7H22C24 A2B7C22D24 -195.84 3.67 -9.87 -1.43 0
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158903 57244171 1 NO4C5H11 AB4C5D11 -191.8 2.6 -9.94 1.66 0
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158904 57244173 1 NO4C20H29 AB4C20D29 -182.89 1.73 -8.35 -0.84 0
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158905 57244180 1 SiO3C15H30 AB3C15D30 -154.94 2.46 -8.5 1.23 0
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158906 57244181 1 N2O2C21H36 A2B2C21D36 -88.24 4.51 -8.7 -0.25 0
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158907 57244182 1 N2O3C16H32 A2B3C16D32 -187.47 3.6 -8.85 0.02 0
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158908 57244187 1 ON2C8H10 AB2C8D10 4.56 3.98 -9.5 -0.05 0
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158909 57244188 1 NC17H17 AB17C17 167.55 1.81 -9.78 -0.11 0
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158910 57244190 1 O3N4C16H16 A3B4C16D16 -62.86 2.82 -9.13 -0.68 0
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158911 57244191 1 NSi2C18H41 AB2C18D41 -94.18 1.07 -7.87 1.46 0
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158912 57244192 1 NO5C37H41 AB5C37D41 -170.74 3.37 -9.21 -0.57 0
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158913 57244193 2 NO2C15H21 AB2C15D21 -118.46 2.61 -8.17 0.15 0
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158914 57244196 1 FO2C23H33 AB2C23D33 -157.91 8.62 -9.77 -0.03 0
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158915 57244200 1 N2O3C27H38 A2B3C27D38 -132.21 3.34 -8.79 0.04 0
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158916 57244201 2 OC8H15 AB8C15 -120.9 1.66 -9.89 1.8 0
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158917 57244202 1 ON4H16C18 AB4C16D18 57.26 3.96 -8.59 -0.82 0
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158918 57244203 1 PO4C13H19 AB4C13D19 -205.1 5.56 -8.94 0.12 0
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158919 57244206 1 N2O3C45H60 A2B3C45D60 -111.74 1.51 -8.8 0.39 0
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158920 57244207 3 FNOH8C10 ABCD8E10 -175.95 6.98 -9.08 -1.15 0
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158921 57244209 1 O5C11H12 A5B11C12 -185.15 4.35 -8.85 -0.2 0
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158922 57244211 2 OC13H22 AB13C22 -140.15 2.78 -8.18 0.18 0
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158923 57244213 1 ClN4O4C11H15 AB4C4D11E15 -127.95 9.23 -8.44 -0.25 0
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158924 57244214 1 ClFNPO5C20H22 ABCDE5F20G22 -279.91 3.98 -9.26 -1.5 0
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158925 57244215 1 NCl2C23H35 AB2C23D35 -62.6 4.2 -8.86 -0.16 0
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158926 57244216 1 SO2C7H14 AB2C7D14 -95.56 6.05 -10.43 0.31 0
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158927 57244217 1 N4O8C19H20 A4B8C19D20 -299.01 5.0 -9.53 -1.49 0
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158928 57244219 1 N2O3C20H24 A2B3C20D24 -106.56 4.65 -8.95 0.16 0
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158929 57244220 1 OC21H32 AB21C32 -85.29 1.53 -8.4 0.52 0
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158930 57244222 2 NO3H18C20 AB3C18D20 -116.73 4.77 -8.46 -0.59 0
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158931 57244225 1 NO2C20H43 AB2C20D43 -185.29 2.42 -9.45 2.33 0
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158932 57244226 1 SiO2C19H40 AB2C19D40 -157.09 0.42 -7.49 0.28 0
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158933 57244230 1 SN4O12C44H60 AB4C12D44E60 -489.48 7.96 -8.44 -0.34 0
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158934 57244235 1 BrSN4O4C16H17 ABC4D4E16F17 -119.79 4.17 -8.68 -1.3 1
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158935 57244236 1 NPO2C9H13 ABC2D9E13 -81.39 4.14 0.0 0.0 0
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158936 57244238 1 O3C48H98 A3B48C98 -361.37 2.36 -9.67 2.29 0
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158937 57244239 1 NSiC22H23 ABC22D23 99.37 5.68 -6.69 -0.54 0
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158938 57244244 1 NCl2C18H19 AB2C18D19 21.0 2.99 -8.78 -0.31 0
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158939 57244247 1 NO4C11H17 AB4C11D17 -174.26 1.72 -9.98 0.3 0
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158940 57244255 1 N2O2C11H26 A2B2C11D26 -111.19 1.69 -9.04 2.01 0
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158941 57244260 1 SN2O3H16C20 AB2C3D16E20 8.36 6.96 -8.91 -0.93 0
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158942 57244261 1 ON6C28H38 AB6C28D38 24.94 5.59 -8.71 -1.05 0
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158943 57244264 1 O9C28H50 A9B28C50 -435.22 3.76 -10.4 -0.75 0
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158944 57244265 1 FNPO6C27H27 ABCD6E27F27 -182.96 5.47 -9.46 -0.82 0
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158945 57244269 2 OSN2C12H12 ABC2D12E12 15.48 8.86 -8.72 -1.02 0
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158946 57244274 1 OSiN3C8H17 ABC3D8E17 -49.36 4.57 -9.6 0.2 0
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158947 57244276 1 BrNH16C17 ABC16D17 97.69 0.86 -9.47 -0.35 0
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158948 57244280 1 FN2O4C31H31 AB2C4D31E31 -78.63 2.42 -8.77 -0.92 0
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158949 57244282 1 NF3O3C4H4 AB3C3D4E4 -276.17 2.24 -11.02 -1.07 0
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158950 57244286 1 NSC17H27 ABC17D27 18.31 3.43 -8.51 -1.34 0
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158951 57244287 1 SiN2O5C24H40 AB2C5D24E40 -263.6 4.64 -9.09 -0.38 0
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158952 57244288 1 ClN3O3C28H40 AB3C3D28E40 -184.61 4.04 -8.63 -0.46 0
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158953 57244290 1 O2F3C9H11 A2B3C9D11 -226.37 4.9 -10.66 -0.14 0
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158954 57244291 1 N3O3C23H31 A3B3C23D31 -101.71 2.71 -8.1 0.21 0
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158955 57244293 1 ON3H9C11 AB3C9D11 40.99 7.91 -9.28 -1.08 0
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158956 57244294 2 SC4H9 AB4C9 -36.35 2.73 -8.93 0.53 0
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158957 57244297 1 N3O3H17C26 A3B3C17D26 10.57 8.03 -9.23 -1.74 0
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158958 57244298 1 NO2C8H15 AB2C8D15 -61.74 3.65 -9.53 0.22 0
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158959 57244299 1 ClNOPC11H11 ABCDE11F11 -28.3 2.88 -9.28 -1.11 1
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158960 57244301 1 NPO2C9H19 ABC2D9E19 -113.09 7.37 0.0 0.0 0
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158961 57244304 1 ClNSO5C18H18 ABCD5E18F18 -177.62 2.3 -9.66 -1.04 0
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158962 57244305 2 SO2H5C7 AB2C5D7 -78.57 4.32 -9.32 -1.63 0
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158963 57244306 1 N3O4C23H31 A3B4C23D31 -152.4 5.72 -9.2 -0.74 0
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158964 57244307 1 FN3O3C22H26 AB3C3D22E26 -135.74 4.74 -8.65 -0.48 0
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158965 57244308 1 ON3C7H17 AB3C7D17 -59.93 2.53 -9.52 1.27 0
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158966 57244316 1 O3N5C19H19 A3B5C19D19 -33.3 4.51 -8.72 -1.01 0
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158967 57244317 1 SN2O3C13H14 AB2C3D13E14 -86.61 6.73 -8.91 -0.64 0
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158968 57244318 1 ON3C25H33 AB3C25D33 1.37 3.68 -8.59 0.16 0
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158969 57244320 1 PN3O3C6H10 AB3C3D6E10 -158.18 6.41 -9.85 -0.44 0
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158970 57244323 1 NSO2H21C23 ABC2D21E23 8.69 1.35 -8.33 -0.43 0
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158971 57244324 1 NSC15H21 ABC15D21 51.8 6.26 -6.91 0.86 1
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158972 57244329 1 NS2O6C19H24 AB2C6D19E24 -228.82 3.1 0.0 0.0 0
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158973 57244332 1 O2F5N6C29H33 A2B5C6D29E33 -216.9 8.59 -9.04 -1.42 0
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158974 57244334 1 NO3C12H15 AB3C12D15 -121.12 2.08 -8.6 0.22 0
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158975 57244335 1 NCl2O3C24H29 AB2C3D24E29 -58.12 1.83 -8.76 -0.18 0
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158976 57244337 1 ClN2O3H11C14 AB2C3D11E14 -88.65 6.2 -8.85 -1.21 0
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158977 57244339 2 O2C31H51 A2B31C51 -333.44 0.92 -8.29 -0.05 0
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158978 57244340 1 OC16H30 AB16C30 -86.73 1.88 -9.42 1.24 0
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158979 57244341 1 ClOSiBr4C12H23 ABCD4E12F23 -151.19 7.05 -9.85 -0.28 1
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158980 57244342 1 FSN3O5C37H45 ABC3D5E37F45 -118.05 6.18 0.0 0.0 0
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158981 57244343 1 SN3O4C32H35 AB3C4D32E35 -68.39 2.35 -8.88 -0.77 0
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158982 57244344 1 ON4H16C17 AB4C16D17 45.03 4.2 -8.7 -0.83 0
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158983 57244348 1 Cl3O3H17C26 A3B3C17D26 -53.26 6.03 -8.98 -0.91 0
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158984 57244349 1 NO2C19H27 AB2C19D27 -64.73 1.89 -8.59 -0.58 0
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158985 57244351 1 NSO7H13C15 ABC7D13E15 -156.61 11.11 -9.87 -2.24 0
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158986 57244352 1 N3O3C15H29 A3B3C15D29 -187.46 5.28 -9.35 0.9 0
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158987 57244357 1 ClSC16H25 ABC16D25 -45.09 2.27 -8.62 0.07 0
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158988 57244369 1 N2F3O7C42H45 A2B3C7D42E45 -392.52 3.81 -8.68 -0.72 0
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158989 57244375 1 S2N5O7C9H15 A2B5C7D9E15 -256.37 2.24 -9.78 -1.08 0