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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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197970 79023978 1 ClNO2C16H18 ABC2D16E18 -59.46 1.43 -8.48 -0.16 0
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197971 79024096 1 O2F3N3C9H16 A2B3C3D9E16 -263.91 4.11 -9.73 0.38 0
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197972 79024420 1 ON3C13H17 AB3C13D17 -8.89 4.92 -9.92 -0.75 0
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197973 79024697 1 ClFON2C12H16 ABCD2E12F16 -86.06 2.43 -9.36 -0.42 0
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197974 79024877 1 N2O3C13H18 A2B3C13D18 -124.75 6.62 -8.98 -0.55 0
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197975 79025047 1 N2O3C12H16 A2B3C12D16 -103.83 1.68 -8.27 0.08 0
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197976 79025143 1 FO2N3C12H16 AB2C3D12E16 -128.0 5.14 -8.67 -0.13 0
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197977 79025144 1 ClON2C13H19 ABC2D13E19 -53.67 4.54 -9.5 -0.06 0
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197978 79025768 1 BrClN2O2C14H16 ABC2D2E14F16 -46.91 3.45 -9.11 -0.29 0
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197979 79025780 1 BrON3C15H20 ABC3D15E20 3.54 1.78 -8.98 -0.01 0
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197980 79025781 1 BrON3C15H20 ABC3D15E20 5.91 1.64 -9.0 -0.05 0
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197981 79025782 1 ClON3C15H20 ABC3D15E20 -4.69 1.63 -9.15 -0.08 0
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197982 79025783 1 BrON3C15H20 ABC3D15E20 5.42 1.41 -9.16 -0.05 0
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197983 79026345 2 NO2C7H13 AB2C7D13 -197.31 6.12 -9.64 0.46 0
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197984 79026346 2 NOC5H8 ABC5D8 -83.11 4.4 -9.57 -0.39 0
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197985 79026347 2 NOC5H7 ABC5D7 -66.06 4.86 -9.3 -0.37 0
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197986 79026348 1 N2O4C9H18 A2B4C9D18 -203.55 4.95 -9.88 0.49 0
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197987 79026349 1 N3O3C13H13 A3B3C13D13 -67.28 3.15 -9.53 -0.88 0
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197988 79026350 1 N2O3C10H14 A2B3C10D14 -100.78 3.36 -9.37 -0.56 0
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197989 79026351 2 NO2C7H10 AB2C7D10 -173.65 2.69 -9.36 0.14 0
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197990 79026352 1 N2O2C9H12 A2B2C9D12 -47.8 4.08 -9.68 -0.48 0
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197991 79026445 1 ClNSO3C8H10 ABCD3E8F10 -113.59 3.41 -9.15 -0.28 0
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197992 79026714 1 O2N3C16H29 A2B3C16D29 -94.04 5.91 -8.64 0.57 0
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197993 79026715 1 BrO2N3C12H14 AB2C3D12E14 -59.15 6.71 -9.79 -0.67 0
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197994 79027097 2 ON2H5C6 AB2C5D6 32.62 7.43 -8.99 -1.02 0