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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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324997 126679128 1 ON4H32C54 AB4C32D54 254.51 5.05 -7.91 -1.34 0
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324998 126679131 1 ON2H22C36 AB2C22D36 252.04 0.63 -7.87 -0.78 0
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324999 126679150 1 ON4H30C50 AB4C30D50 234.45 3.93 -7.86 -1.18 0
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325000 126679159 1 ON4H30C50 AB4C30D50 244.26 3.52 -8.04 -1.06 0
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325001 126679163 1 ON4H34C56 AB4C34D56 249.06 4.86 -7.86 -1.2 0
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325002 126679165 1 ON4H30C50 AB4C30D50 237.78 3.74 -7.86 -1.09 0
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325003 126679170 1 ON4H30C50 AB4C30D50 233.9 3.71 -7.95 -1.07 0
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325004 126679175 1 ON4H34C56 AB4C34D56 265.99 3.74 -8.02 -1.03 0
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325005 126679178 1 ON4H30C50 AB4C30D50 241.5 3.85 -7.9 -1.11 0
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325006 126679185 1 ON5H37C51 AB5C37D51 209.64 5.06 -7.93 -0.62 0
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325007 126679192 1 ClF2N5H8C12 AB2C5D8E12 12.55 4.09 -9.08 -1.0 0
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325008 126679210 1 ClPO4N8C42H44 ABC4D8E42F44 -47.49 9.04 -8.86 -0.76 0
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325009 126679214 1 F3N5H12C13 A3B5C12D13 -67.67 4.35 -8.42 -0.58 0
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325010 126679220 1 BrNO2H10C18 ABC2D10E18 75.2 1.64 -9.04 -1.56 0
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325011 126679224 1 ON2H28C44 AB2C28D44 171.85 2.16 -7.84 -1.18 0
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325012 126679225 2 NOH13C21 ABC13D21 134.97 3.27 -7.93 -0.83 0
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325013 126679227 1 FON6H29C46 ABC6D29E46 184.0 5.02 -8.09 -1.23 0
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325014 126679228 1 ON3H21C37 AB3C21D37 173.13 5.55 -8.2 -1.05 0
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325015 126679234 1 ON2H32C54 AB2C32D54 209.07 1.83 -7.98 -0.77 0
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325016 126679238 1 ON3H29C48 AB3C29D48 200.21 2.92 -7.82 -0.63 0
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325017 126679252 1 SH2C5O5F6 AB2C5D5E6 -493.48 2.62 -11.57 -2.1 0
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325018 126679254 1 ON2H30C52 AB2C30D52 218.37 3.53 -7.9 -1.25 0
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325019 126679259 1 ON4H32C54 AB4C32D54 248.84 4.41 -7.97 -1.13 0
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325020 126679262 1 ON4H34C56 AB4C34D56 250.83 5.95 -7.83 -1.21 0
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325021 126679271 1 ON4H34C56 AB4C34D56 254.94 6.49 -7.81 -1.29 0
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325022 126679284 1 ON2H28C50 AB2C28D50 324.06 4.21 -8.05 -1.33 0
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325023 126679290 1 ON2H28C50 AB2C28D50 211.82 3.62 -8.02 -1.22 0
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325024 126679295 1 ON2H34C58 AB2C34D58 226.44 2.1 -7.98 -0.78 0
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325025 126679298 1 ON2H28C50 AB2C28D50 212.65 1.81 -8.1 -1.19 0
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325026 126679302 1 ON4H32C54 AB4C32D54 252.02 5.08 -8.02 -1.15 0
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325027 126679304 1 ON2H28C50 AB2C28D50 211.67 3.56 -8.01 -1.25 0
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325028 126679310 1 SN3C18H25 AB3C18D25 43.38 1.95 -8.39 -0.21 0
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325029 126679311 1 ON5H35C51 AB5C35D51 226.21 3.06 -8.01 -0.88 0
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325030 126679314 1 ON5H37C51 AB5C37D51 224.57 5.03 -7.98 -0.72 0
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325031 126679315 1 ON5H37C51 AB5C37D51 219.36 4.69 -7.82 -0.76 0
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325032 126679318 1 ON5H35C51 AB5C35D51 222.38 4.07 -7.82 -1.05 0
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325033 126679319 1 ON5H37C51 AB5C37D51 218.91 6.02 -7.9 -0.8 0
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325034 126679323 1 ON5H37C51 AB5C37D51 300.81 4.64 -7.89 -0.59 0
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325035 126679325 1 ON5H35C51 AB5C35D51 221.38 3.84 -8.05 -0.7 0
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325036 126679332 1 ON2H28C50 AB2C28D50 211.07 3.98 -7.91 -1.27 0
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325037 126679336 1 ON4H30C52 AB4C30D52 242.05 4.1 -7.9 -1.08 0
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325038 126679338 1 ON2H28C50 AB2C28D50 222.31 1.77 -8.04 -1.14 0
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325039 126679342 1 ON4H32C54 AB4C32D54 245.25 6.47 -7.83 -1.22 0
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325040 126679343 1 ON4H30C52 AB4C30D52 245.03 5.19 -7.92 -1.1 0
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325041 126679352 1 ON4H32C54 AB4C32D54 245.21 3.68 -7.96 -1.14 0
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325042 126679358 1 N3O3H21C25 A3B3C21D25 20.93 5.56 -8.66 -0.84 0
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325043 126679359 1 ON2H28C50 AB2C28D50 216.4 1.92 -7.91 -1.09 0
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325044 126679361 1 ON2H28C50 AB2C28D50 208.31 3.37 -7.85 -1.23 0
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325045 126679363 1 ON4H30C48 AB4C30D48 218.98 4.26 -7.92 -1.1 0
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325046 126679384 1 ON4H34C56 AB4C34D56 425.87 2.6 -7.96 -0.67 0
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325047 126679385 1 ON2H30C52 AB2C30D52 217.77 1.64 -8.05 -1.17 0
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325048 126679390 1 ON4H34C56 AB4C34D56 252.42 5.45 -7.97 -1.18 0
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325049 126679392 1 ON2H30C52 AB2C30D52 218.07 2.21 -8.03 -1.19 0
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325050 126679399 1 ON2H18C30 AB2C18D30 109.16 2.83 -8.0 -0.66 0
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325051 126679408 1 N3O7C12H27 A3B7C12D27 -335.74 5.56 -9.26 0.46 0
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325052 126679409 1 N5O12C22H43 A5B12C22D43 -560.5 7.17 -9.24 0.38 0
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325053 126679410 1 FNC18H38 ABC18D38 -133.49 3.5 -8.79 3.16 0
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325054 126679411 1 SN3O9C38H45 AB3C9D38E45 -352.36 2.38 -8.66 -0.74 0
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325055 126679412 1 SN3O5H25C27 AB3C5D25E27 -75.12 3.76 -9.06 -0.92 1
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325056 126679413 1 O4N5C19H24 A4B5C19D24 -32.38 7.14 0.0 0.0 0
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325057 126679414 2 NC4H5 AB4C5 33.3 3.45 -8.17 0.37 0
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325058 126679415 1 S4N7O16C45H45 A4B7C16D45E45 -449.69 12.2 -8.4 -1.42 0
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325059 126679416 1 O2N7C49H51 A2B7C49D51 106.51 8.81 -7.92 -0.89 0
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325060 126679417 1 IC13H21 AB13C21 -18.35 2.25 -9.42 -0.53 0
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325061 126679425 1 BrFSO4N6C23H32 ABCD4E6F23G32 -184.42 6.73 -9.02 -0.98 0
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325062 126679429 1 INOH10C11 ABCD10E11 29.15 3.52 -8.36 -0.65 0
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325063 126679441 1 ON5H17C19 AB5C17D19 98.32 2.81 -9.04 -0.92 0
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325064 126679444 1 FSO4N7C27H36 ABC4D7E27F36 -164.78 5.93 -8.86 -1.46 0
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325065 126679606 1 ON4H36C52 AB4C36D52 218.61 4.49 -7.68 -0.87 0
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325066 126679794 1 O2N4C27H30 A2B4C27D30 14.08 3.62 -8.7 -0.86 0
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325067 126679902 1 BrFO4N6C24H34 ABC4D6E24F34 -197.81 7.28 -8.96 -0.92 0
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325068 126679932 1 ClOF3N5C13H13 ABC3D5E13F13 -138.88 5.68 -8.68 -1.22 0
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325069 126679961 1 FON5C18H18 ABC5D18E18 7.74 4.63 -8.54 -0.54 0
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325070 126679979 1 OF3N5H18C19 AB3C5D18E19 -107.14 6.1 -8.58 -0.81 0
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325071 126680003 1 ClO3N6H23C24 AB3C6D23E24 9.15 4.02 -8.9 -1.03 0