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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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252975 103115263 1 O3N5C12H17 A3B5C12D17 -40.84 7.14 -9.44 -0.82 0
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252976 103115264 1 O2N5C13H19 A2B5C13D19 -7.13 4.71 -9.44 -0.64 0
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252977 103115265 1 O3N5C13H19 A3B5C13D19 -40.87 5.72 -9.54 -0.78 0
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252978 103115266 1 O2N6C11H16 A2B6C11D16 13.94 6.01 -9.45 -0.83 0
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252979 103115272 1 O3N5C12H17 A3B5C12D17 -49.21 3.4 -9.32 -0.46 0
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252980 103115283 1 O2N5C12H17 A2B5C12D17 -1.25 4.8 -9.46 -0.66 0
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252981 103115289 1 O2N5C13H17 A2B5C13D17 16.36 7.7 -9.49 -0.63 0
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252982 103115297 1 O3N7C11H11 A3B7C11D11 55.81 7.26 -9.63 -1.2 0
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252983 103115299 1 F2O2N5C10H11 A2B2C5D10E11 -83.29 5.55 -9.6 -1.03 0
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252984 103115302 1 O3N6C12H16 A3B6C12D16 -35.82 1.92 -9.54 -0.72 0
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252985 103115311 1 O3N5C12H17 A3B5C12D17 -32.9 4.6 -9.57 -0.72 0
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252986 103115322 1 O3N5C13H19 A3B5C13D19 -42.55 4.07 -9.35 -0.48 0
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252987 103115325 1 O3N6C11H14 A3B6C11D14 -34.36 2.19 -9.56 -0.79 0
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252988 103115329 1 O3N5C13H19 A3B5C13D19 -49.56 3.02 -9.49 -0.62 0
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252989 103115334 1 O3N5C13H19 A3B5C13D19 -57.82 3.06 -9.42 -0.56 0
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252990 103115336 1 O2N5C13H19 A2B5C13D19 -9.59 7.91 -9.46 -0.53 0
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252991 103115338 1 O2N5C14H21 A2B5C14D21 -14.19 7.52 -9.45 -0.49 0
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252992 103115346 1 SO2N5C13H19 AB2C5D13E19 1.38 7.05 -9.15 -0.48 0
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252993 103115347 1 O3N5C13H19 A3B5C13D19 -49.56 4.08 -9.55 -0.63 0
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252994 103115358 1 O3N5C13H19 A3B5C13D19 -54.01 5.12 -9.53 -0.64 0
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252995 103115359 1 SO3N5C12H15 AB3C5D12E15 -62.63 8.84 -9.56 -1.18 0
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252996 103115360 1 SO3N5C12H15 AB3C5D12E15 -64.75 6.04 -9.6 -1.23 0
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252997 103115361 1 SO3N4C12H16 AB3C4D12E16 -69.85 6.42 -9.64 -1.23 0
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252998 103115367 1 SO3N5C12H15 AB3C5D12E15 -58.88 5.23 -9.64 -1.27 0
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252999 103115378 1 O2S2N5H11C12 A2B2C5D11E12 31.17 6.71 -9.53 -1.21 0