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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294975 117510151 1 BrNO2C15H22 ABC2D15E22 -71.46 5.19 -8.46 -0.15 0
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294976 117510226 1 BrNSC15H22 ABCD15E22 -7.08 2.13 -8.75 -0.46 0
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294977 117510276 1 FO3C20H21 AB3C20D21 -121.23 4.29 -9.07 -0.21 0
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294978 117510282 4 OC5H6 AB5C6 -141.38 7.45 -8.67 -0.26 0
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294979 117510382 1 BrFN2O4H6C11 ABC2D4E6F11 -116.93 4.4 -9.37 -1.24 0
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294980 117510384 1 BrO6H9C12 AB6C9D12 -171.99 5.4 -9.61 -1.81 0
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294981 117510426 1 BrO5C13H13 AB5C13D13 -169.52 4.92 -9.33 -1.12 0
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294982 117510443 1 BrO5C13H13 AB5C13D13 -152.31 6.84 -9.06 -0.74 0
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294983 117510444 1 BrO5C13H13 AB5C13D13 -140.39 2.48 -9.48 -1.25 0
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294984 117510542 1 BrO4C14H17 AB4C14D17 -134.56 7.94 -9.22 -0.62 0
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294985 117510682 1 BrO4C14H17 AB4C14D17 -170.58 4.33 -9.18 -0.5 0
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294986 117510730 1 BrN2O3C13H17 AB2C3D13E17 -82.05 2.92 -8.53 -0.32 0
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294987 117510772 1 BrO3C15H21 AB3C15D21 -139.28 6.74 -8.98 -0.18 0
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294988 117510788 1 BrO3C15H21 AB3C15D21 -114.6 3.73 -8.79 -0.35 0
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294989 117510973 1 BrClSO4C9H10 ABCD4E9F10 -145.15 6.29 -9.38 -0.97 0
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294990 117511017 1 BrFNH5O5C11 ABCD5E5F11 -142.64 6.83 -9.48 -1.53 0
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294991 117511136 1 BrNO4C13H16 ABC4D13E16 -145.6 8.39 -9.41 -0.75 0
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294992 117511138 1 BrNO4C13H16 ABC4D13E16 -150.31 8.22 -8.91 -0.35 0
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294993 117511158 1 BrNO4C13H16 ABC4D13E16 -156.34 4.66 -8.92 -0.64 0
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294994 117511161 1 BrNO4C13H16 ABC4D13E16 -132.88 4.8 -9.11 -0.49 0
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294995 117511163 1 BrNO4C13H16 ABC4D13E16 -138.54 4.41 -9.18 -0.6 0
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294996 117511194 1 BrNO4C13H16 ABC4D13E16 -120.52 4.03 -8.88 -0.68 0
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294997 117511264 1 BrNO3C14H20 ABC3D14E20 -87.68 4.95 -8.69 -0.35 0
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294998 117511299 1 BrNO3C14H20 ABC3D14E20 -109.81 3.85 -8.74 -0.44 0
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294999 117511323 1 BrNO3C14H20 ABC3D14E20 -105.84 4.07 -8.58 -0.16 0