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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222987 85333672 2 N5O5C18H30 A5B5C18D30 -475.59 2.05 -9.03 -0.08 0
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222988 85333680 2 NO7C20H32 AB7C20D32 -635.32 4.24 -8.9 0.13 0
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222989 85333688 1 N9O11C36H65 A9B11C36D65 -588.58 3.13 -9.78 -0.12 0
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222990 85333690 2 O3N5C21H30 A3B5C21D30 -228.52 1.53 -8.34 -0.3 0
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222991 85333697 1 NO12C44H71 AB12C44D71 -485.17 14.88 -7.38 -1.94 0
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222992 85333700 1 N5O9C44H65 A5B9C44D65 -344.71 8.18 -8.82 -0.53 0
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222993 85333702 1 O9C48H88 A9B48C88 -525.58 3.64 -8.31 0.03 0
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222995 85333707 1 SN10O13C32H48 AB10C13D32E48 -549.87 5.11 -8.72 -0.34 0
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222996 85333709 1 O7N14C37H60 A7B14C37D60 -275.71 12.7 -8.7 -0.26 0
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222997 85333753 2 N6O7C16H27 A6B7C16D27 -649.96 11.82 -9.65 -0.18 0
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222998 85333759 1 N10O13C36H52 A10B13C36D52 -592.7 8.88 -8.53 -0.41 0
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222999 85333779 1 N11O11C37H65 A11B11C37D65 -549.72 6.22 -9.41 -0.46 0
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223000 85333783 1 NSO13C45H49 ABC13D45E49 -431.85 9.57 -9.63 -1.18 0
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223001 85333797 1 S2N9O12C34H57 A2B9C12D34E57 -579.14 11.71 -8.62 -0.34 0
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223002 85333798 1 ClN7O14C36H58 AB7C14D36E58 -686.4 7.86 -9.62 -0.47 0
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223003 85333826 1 N9O11C41H71 A9B11C41D71 -589.2 5.78 -9.57 -0.18 0
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223004 85333831 1 O9N11C41H77 A9B11C41D77 -513.01 7.4 -9.37 0.41 0
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223005 85333839 1 N7O9C48H53 A7B9C48D53 -310.29 4.52 -8.43 -0.06 0
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223006 85333841 1 O11N12C39H60 A11B12C39D60 -473.48 9.6 -9.24 -0.36 0
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223007 85333844 1 N7O7C41H57 A7B7C41D57 -302.31 5.63 -8.56 -1.44 0
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223008 85333873 1 N11O13C38H67 A11B13C38D67 -655.03 9.11 -9.14 -0.32 0
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223009 85333874 1 N11O13C38H67 A11B13C38D67 -603.65 12.05 -9.56 -0.92 0
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223010 85333875 1 BF3O5N6C50H54 AB3C5D6E50F54 -285.01 8.34 -9.0 -1.0 0
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223011 85333879 1 PN7O8C48H54 AB7C8D48E54 -196.15 6.63 -8.78 -0.63 0
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223012 85333883 1 N8O12C43H68 A8B12C43D68 -611.08 4.34 -9.11 -0.24 0
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223013 85333884 1 SN8O11C42H64 AB8C11D42E64 -489.04 2.2 -8.9 0.0 0
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223014 85333886 2 FO3N8C20H26 AB3C8D20E26 -202.81 16.24 -9.31 -1.46 0
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223015 85333896 1 O10N11C42H75 A10B11C42D75 -517.33 10.51 -9.25 0.27 0
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223016 85333959 2 FSO2N8C20H24 ABC2D8E20F24 -50.99 11.22 -8.87 -1.26 0
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223017 85333962 1 FO7N15C42H74 AB7C15D42E74 -388.27 4.38 -9.16 -0.01 0
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223018 85333963 1 ClINSO12H39C40 ABCDE12F39G40 -405.89 2.2 -9.03 -1.03 0
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223019 85333969 1 N10O12C43H72 A10B12C43D72 -592.58 5.68 -9.02 0.04 0
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223020 85333977 1 N10O15C40H62 A10B15C40D62 -703.11 13.5 -9.32 -0.43 0
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223021 85333984 1 N13O13C40H55 A13B13C40D55 -514.38 10.72 -8.55 -0.23 0
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223022 85333999 1 N8O9C51H66 A8B9C51D66 -371.89 8.9 -8.91 -1.27 0
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223023 85334023 1 SN9O12C45H57 AB9C12D45E57 -474.22 11.14 -8.55 -0.28 0
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223024 85334028 1 N12O14C41H64 A12B14C41D64 -658.45 3.7 -9.64 -0.1 0
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223026 85334038 1 SO7N14C46H60 AB7C14D46E60 -198.42 4.44 -8.16 -0.29 0
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223027 85334043 1 N13O13C41H73 A13B13C41D73 -666.26 3.8 -8.83 0.1 0
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223028 85334045 1 N7O11C50H81 A7B11C50D81 -541.35 6.13 -9.01 -0.22 0
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223029 85334054 1 SN7O11C38H75 AB7C11D38E75 -594.69 5.1 -9.24 -0.31 0
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223030 85334057 1 N11O13C44H69 A11B13C44D69 -619.47 5.71 -9.34 0.1 0
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223031 85334065 1 O11N13C44H79 A11B13C44D79 -572.43 8.95 -9.38 0.24 0
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223032 85334077 1 N10O15C43H74 A10B15C43D74 -733.68 11.6 -7.66 -1.46 0
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223033 85334078 2 O6N7C21H39 A6B7C21D39 -624.57 8.35 -9.36 0.0 0
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223034 85334087 1 O7N8C57H66 A7B8C57D66 -70.3 10.34 -6.61 -2.73 0
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223036 85334120 1 N11O16C43H63 A11B16C43D63 -732.88 10.23 -8.89 -0.45 0
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223037 85334125 1 SN11O15C41H73 AB11C15D41E73 -749.97 10.54 -8.86 -0.06 0
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223038 85334129 2 N4O4C24H31 A4B4C24D31 -327.85 9.19 -8.24 -1.25 0
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223039 85334131 1 NF2O15H53C54 AB2C15D53E54 -574.66 7.23 -9.72 -1.38 0
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223040 85334137 2 SN6O6C21H33 AB6C6D21E33 -536.84 5.26 -8.48 -0.35 0
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223041 85334166 1 O11N13C47H85 A11B13C47D85 -579.9 7.58 -9.37 0.0 0
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223042 85334186 1 N11O14C46H83 A11B14C46D83 -748.13 4.21 -9.72 0.06 0
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223043 85334190 1 SN9O14C47H69 AB9C14D47E69 -637.27 14.62 -9.13 -0.3 0
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223044 85334217 2 O6N8C22H41 A6B8C22D41 -591.49 11.33 -9.6 -0.45 0
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223045 85334226 1 N10O19C43H70 A10B19C43D70 -931.41 8.57 -9.6 -0.17 0
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223046 85334230 1 O11N16C46H80 A11B16C46D80 -540.17 8.33 -9.27 -0.52 0
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223047 85334243 1 N13O14C47H69 A13B14C47D69 -636.44 7.86 -9.27 -0.2 0
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223048 85334258 1 SO13N14C44H80 AB13C14D44E80 -665.69 2.15 -8.58 0.09 0
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223049 85334262 1 N8O19C47H66 A8B19C47D66 -764.97 6.84 -9.37 -1.17 0
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223050 85334272 1 SN12O12C48H82 AB12C12D48E82 -612.31 12.75 -9.33 -0.33 0
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223051 85334273 1 N11O18C45H69 A11B18C45D69 -847.33 16.56 -9.33 -0.34 0
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223052 85334276 1 SN13O19C39H67 AB13C19D39E67 -908.83 8.13 -9.33 -0.4 0
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223053 85334279 2 O7N8C22H39 A7B8C22D39 -690.49 13.21 -9.5 0.33 1
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223054 85334284 1 Br2F3N4O12C45H50 A2B3C4D12E45F50 -608.79 5.12 0.0 0.0 0
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223055 85334286 1 N13O13C48H89 A13B13C48D89 -682.87 11.3 -9.22 -0.07 0
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223056 85334289 1 O12N14C49H80 A12B14C49D80 -580.28 6.57 -8.56 -0.13 0
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223057 85334310 2 O4N9C25H43 A4B9C25D43 -326.71 9.29 -7.26 -0.73 0
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223058 85334315 1 N10O17C49H68 A10B17C49D68 -736.31 6.23 -9.11 -1.24 0
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223060 85334375 1 N6O17C55H76 A6B17C55D76 -752.53 7.3 -8.66 -1.65 0
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223061 85334378 1 SO12N17C46H79 AB12C17D46E79 -559.29 7.15 -9.13 -0.36 0
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223062 85334380 1 N12O19C46H70 A12B19C46D70 -899.26 6.09 -9.68 -0.35 0
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223063 85334383 1 N14O15C48H82 A14B15C48D82 -732.98 4.77 -9.33 0.02 0
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223064 85334385 1 S2O11N13C50H73 A2B11C13D50E73 -451.28 15.14 -8.6 -0.66 0
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223065 85334390 1 N15O18C44H73 A15B18C44D73 -854.95 5.48 -9.65 -0.31 0