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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179935 76558279 1 BrMgOH11C13 ABCD11E13 23.03 0.92 -8.33 -0.83 0
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179937 76558281 1 FNOPTiCl2H33C39 ABCDEF2G33H39 -64.66 6.34 -8.03 -1.1 0
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179940 76558284 1 ClNOPTiC25H29 ABCDEF25G29 -107.78 7.26 -7.16 -0.74 0
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179941 76558285 1 BrMgSiF3C10H12 ABCD3E10F12 -173.25 7.56 -8.29 -0.98 0
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179943 76558287 1 ClNOPTiC22H31 ABCDEF22G31 8.19 4.68 -8.27 -2.85 0
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179944 76558288 1 ClFNOPTiC15H16 ABCDEFG15H16 -138.65 7.41 -6.83 -1.02 0
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179945 76558289 1 ClNPTiO2C15H17 ABCDE2F15G17 -157.62 8.44 -7.46 -0.89 0
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179946 76558290 1 OPTiCl2N3C18H24 ABCD2E3F18G24 -146.74 8.52 -6.95 -1.07 0
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179948 76558292 1 NOPTiCl2H18C20 ABCDE2F18G20 -141.46 8.85 -7.11 -1.41 0
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179949 76558293 1 FNOPTiCl2C22H29 ABCDEF2G22H29 -183.8 8.87 -7.94 -1.18 0
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179950 76558294 1 BrMgH3F4C7 ABC3D4E7 -148.56 11.49 -7.86 -2.47 1
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179952 76558330 1 BrMgOF3H6C8 ABCD3E6F8 -72.31 15.02 -6.12 -3.93 0
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179953 76558331 1 NOPTiCl2C24H36 ABCDE2F24G36 -222.05 12.99 -6.79 -1.36 0
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179955 76558333 1 BrMgNH12C13 ABCD12E13 17.07 4.57 -9.31 -0.08 0
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179956 76558562 1 BrFMgNH17C20 ABCDE17F20 -18.48 4.08 -9.09 -0.28 0
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179958 76558564 1 FNPTiCl2O3C19H23 ABCDE2F3G19H23 -297.13 10.18 -6.84 -1.05 0
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179959 76558565 1 ClNOPSiTiC21H31 ABCDEFG21H31 -151.89 8.79 -7.29 -0.5 0
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179963 76558869 1 O3N13C34H49 A3B13C34D49 90.6 14.67 -8.32 -2.24 0
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179964 76559299 1 PN4O4C9H17 AB4C4D9E17 -184.64 8.69 -9.76 -0.3 0
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179965 76559334 1 O2F3N8H15C20 A2B3C8D15E20 -18.04 9.93 -8.84 -2.19 0
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179966 76559347 1 O2N9H21C22 A2B9C21D22 159.11 10.38 -8.42 -1.8 0
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179967 76559457 1 FN4O4C19H21 AB4C4D19E21 -141.68 1.84 -8.27 -0.31 0
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179968 76559824 2 FO2H10C12 AB2C10D12 -187.14 1.77 -9.73 -0.62 0
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179969 76559825 1 ClN3O5C33H44 AB3C5D33E44 -216.95 5.9 -9.16 -0.17 0
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179970 76559842 1 SN2F3O4H21C23 AB2C3D4E21F23 -242.56 7.86 -8.6 -1.29 0
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179971 76559843 1 OSN3C11H15 ABC3D11E15 -8.63 4.42 -8.77 -0.09 0
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179972 76559844 1 NO3C12H17 AB3C12D17 -112.4 3.2 -7.88 0.4 0
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179973 76559845 1 SN2O5C22H24 AB2C5D22E24 -109.25 7.7 -8.48 -1.16 -2
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179974 76559888 1 OF2Y2H6C9 AB2C2D6E9 -102.49 4.26 -5.16 -1.53 0
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179975 76560927 1 F3O3N6C20H23 A3B3C6D20E23 -201.7 6.76 -9.14 -0.41 0
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179976 76560958 1 FSO2N6C22H23 ABC2D6E22F23 -13.09 4.05 -8.63 -0.78 0
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179977 76561353 1 SN5O5C24H33 AB5C5D24E33 -175.33 4.33 -8.94 -0.84 0
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179978 76561627 1 SO5N6C26H28 AB5C6D26E28 -60.87 3.77 -9.16 -1.39 0
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179979 76561776 1 ClSO4N5C26H28 ABC4D5E26F28 -81.77 4.01 -8.92 -0.87 0
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179980 76561922 1 SO4N7C27H33 AB4C7D27E33 -43.62 6.35 -8.81 -0.71 0
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179981 76561923 1 SF2O5N6C26H32 AB2C5D6E26F32 -195.74 3.81 -8.44 -0.83 0
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179982 76562076 1 ClSO4N5C26H28 ABC4D5E26F28 -74.13 6.01 -8.82 -0.76 0
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179983 76562184 1 N3O3C13H17 A3B3C13D17 -113.23 3.83 -8.63 0.15 0
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179984 76562328 1 ON7C18H19 AB7C18D19 59.62 3.26 -8.17 -0.66 0
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179985 76562376 2 NO4C13H13 AB4C13D13 -233.53 7.51 -8.92 -0.94 -1
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179987 76562443 1 O24Si24C81H151 A24B24C81D151 -1134.22 2.9 0.0 0.0 0
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179988 76563040 1 N2O3C28H44 A2B3C28D44 -151.39 3.36 -8.69 -0.87 0
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179989 76563399 1 FNO4C14H16 ABC4D14E16 -197.02 1.68 -9.69 -0.14 -2
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179991 76563542 1 OF5H9C11 AB5C9D11 -287.83 3.7 -10.31 -0.74 0
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179992 76563543 1 NNaO2H8C10 ABC2D8E10 -98.74 9.81 -8.44 -0.26 0
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179993 76563685 1 SN2O2H16C18 AB2C2D16E18 24.98 8.56 -8.25 -1.56 0
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179994 76563884 4 SC4H4 AB4C4 64.7 1.7 -8.32 -0.74 0
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179995 76563921 1 NiN2O2S2C46H64 AB2C2D2E46F64 25.17 20.36 -6.28 -3.11 0
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179996 76563922 1 NiN2O2C56H84 AB2C2D56E84 -43.48 3.75 -7.98 -1.02 0
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179997 76564544 2 N4C11H17 A4B11C17 75.49 3.22 -8.06 0.18 0