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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402958 135058051 1 INSO5C19H20 ABCD5E19F20 -146.17 6.38 -9.78 -1.46 0
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402959 135058061 1 O7H26C29 A7B26C29 -198.37 3.59 -8.73 -0.45 4
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402961 135058081 1 SO2N6H24C30 AB2C6D24E30 103.38 6.08 -8.68 -0.72 0
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402962 135058082 1 SO2N6H26C31 AB2C6D26E31 93.49 6.88 -8.64 -0.68 0
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402963 135058084 1 N3O3H29C34 A3B3C29D34 91.09 3.67 -8.7 -1.26 0
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402964 135058095 1 NSiC25H35 ABC25D35 11.95 1.61 -9.12 0.32 0
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402965 135058097 1 S2N4O13C26H30 A2B4C13D26E30 -454.99 4.15 -9.39 -1.76 0
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402966 135058102 1 OSN6C23H28 ABC6D23E28 73.43 5.96 -8.45 -0.3 0
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402967 135058105 1 O2C23H28 A2B23C28 -59.2 2.28 -8.91 -0.2 0
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402968 135058110 2 OC5H5 AB5C5 -48.55 2.74 -8.63 -0.31 0
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402969 135058122 1 BrSN2O5C14H19 ABC2D5E14F19 -115.22 2.91 -10.26 -2.01 0
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402970 135058126 1 OPSN2C21H25 ABCD2E21F25 -5.71 3.05 -8.98 -0.35 0
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402971 135058127 1 OPSN2C18H19 ABCD2E18F19 6.61 5.09 -9.03 -0.82 0
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402972 135058128 1 PO2C21H23 AB2C21D23 -76.32 3.91 -8.84 -0.47 0
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402973 135058129 1 PO3S3H23C25 AB3C3D23E25 -59.31 5.79 -8.9 -1.23 0
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402974 135058130 1 PO2S3H21C24 AB2C3D21E24 -4.27 4.37 -9.0 -1.07 0
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402975 135058133 1 NOC18H19 ABC18D19 -14.37 3.98 -8.64 0.23 0
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402976 135058139 1 OSiC19H22 ABC19D22 -33.78 2.83 -9.01 -0.24 0
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402977 135058141 1 FOH15C16 ABC15D16 -52.34 2.95 -9.49 -0.44 0
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402978 135058143 1 NC15H25 AB15C25 -24.98 1.01 -9.42 0.21 0
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402979 135058145 1 NO2C20H21 AB2C20D21 -35.75 3.88 -8.1 0.29 0
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402980 135058150 1 OH16C19 AB16C19 18.21 1.49 -8.69 -0.07 0
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402981 135058151 2 F2H5C7 A2B5C7 -172.71 2.61 -9.49 -0.8 0
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402982 135058152 2 F2H5C7 A2B5C7 -170.5 4.6 -9.36 -0.84 0
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402983 135058153 1 NCl2H17C27 AB2C17D27 121.07 4.4 -8.97 -1.38 0
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402984 135058154 1 BrSN4O5C19H23 ABC4D5E19F23 -114.35 9.48 -8.33 -0.78 0
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402985 135058156 1 Br2O2C21H22 A2B2C21D22 -49.08 2.6 -9.57 -0.26 0
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402986 135058157 1 NSBr2F3O4H14C17 ABC2D3E4F14G17 -265.48 5.64 -9.73 -1.13 0
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402987 135058194 1 SiN2O2C21H28 AB2C2D21E28 -95.69 4.7 -8.75 -0.74 0
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402988 135058196 1 ClN2O3C15H21 AB2C3D15E21 -154.58 6.4 -8.91 -0.34 0
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402989 135058199 1 BClN2O2C15H22 ABC2D2E15F22 -133.52 6.71 -8.25 -0.21 0
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402990 135058202 1 BClNO2C21H21 ABCD2E21F21 -109.16 4.07 -8.6 -0.61 0
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402991 135058203 1 NB2O4C21H35 AB2C4D21E35 -329.18 3.63 -8.21 0.5 -1
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402992 135058205 1 BClNO3C15H20 ABCD3E15F20 -192.7 0.82 0.0 0.0 0
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402993 135058209 1 N3O4H21C22 A3B4C21D22 -47.39 8.66 -8.88 -1.7 0
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402994 135058223 1 NOSiC21H31 ABCD21E31 -13.95 4.02 -7.9 -0.23 0
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402995 135058225 1 O2N4C19H20 A2B4C19D20 49.0 6.02 -9.28 -1.5 0
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402996 135058227 1 ON4C12H14 AB4C12D14 43.04 3.84 -9.81 -0.42 0
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402997 135058228 1 ON4C19H20 AB4C19D20 69.43 3.45 -9.51 -0.27 0
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402998 135058229 1 ClO2F3N6H22C28 AB2C3D6E22F28 -76.42 7.64 -9.11 -1.36 0
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402999 135058230 1 ClFNO3H11C15 ABCD3E11F15 -127.07 4.1 -9.79 -1.54 0
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403000 135058238 1 BrFIH5C8 ABCD5E8 78.75 1.41 -10.14 -1.08 0
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403001 135058239 2 NC10H13 AB10C13 24.6 4.12 -9.28 -0.8 0
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403002 135058252 1 OSiC17H26 ABC17D26 -55.07 4.69 -9.46 -0.24 0
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403003 135058261 1 NSO3H11C16 ABC3D11E16 9.14 9.27 -8.81 -0.97 0
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403004 135058278 1 SO2H16C17 AB2C16D17 -24.44 2.62 -8.76 -0.42 0
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403005 135058280 1 NO2H23C24 AB2C23D24 -3.33 4.57 -8.79 -0.26 0
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403006 135058281 1 NO2C26H27 AB2C26D27 -22.62 2.44 -8.54 -0.28 0
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403007 135058285 1 NC17H21 AB17C21 23.88 1.21 -9.18 -0.34 0
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403008 135058292 2 NC11H16 AB11C16 1.35 2.99 -9.32 -0.29 0