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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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58931 24720158 1 F2O2N6H20C23 A2B2C6D20E23 -23.39 4.14 -8.95 -1.12 0
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58932 24720159 1 SO3N7H21C23 AB3C7D21E23 67.44 12.03 -8.84 -1.42 0
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58933 24720160 1 SO3N6H22C23 AB3C6D22E23 32.91 8.71 -9.04 -1.2 0
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58934 24720450 1 N2O3C19H22 A2B3C19D22 -55.65 3.49 -8.78 -0.82 0
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58935 24720865 1 NO3C18H19 AB3C18D19 -99.87 4.16 -9.37 -0.65 0
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58936 24720930 1 ON2Cl3C19H25 AB2C3D19E25 -77.23 4.85 -9.34 -0.53 0
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58937 24722250 1 FNO3H8C11 ABC3D8E11 -104.09 5.2 -10.65 -1.72 0
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58938 24722355 1 NO5C14H15 AB5C14D15 -120.0 6.51 -10.55 -1.41 0
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58939 24722440 1 FO3C14H15 AB3C14D15 -164.28 6.35 -10.38 -1.25 0
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58940 24722472 1 O4C15H18 A4B15C18 -155.39 3.62 -9.17 -0.72 0
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58941 24722773 1 ClO2H11C14 AB2C11D14 -30.19 4.75 -9.12 -0.66 0
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58942 24722822 1 FIOH8C13 ABCD8E13 -11.88 2.12 -9.58 -1.05 0
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58943 24723390 1 SO3H12C14 AB3C12D14 -64.33 4.57 -9.47 -0.86 0
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58944 24723391 1 SO3H12C14 AB3C12D14 -67.51 3.1 -9.45 -0.99 0
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58945 24723393 1 OS2H10C12 AB2C10D12 25.04 3.86 -8.66 -0.7 0
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58946 24723396 1 FOSH7C11 ABCD7E11 -22.24 2.24 -9.53 -1.0 0
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58947 24723456 1 SO3C12H14 AB3C12D14 -88.62 2.29 -9.35 -0.85 0
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58948 24723457 1 SO3C13H16 AB3C13D16 -104.94 2.71 -9.37 -0.93 0
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58949 24723458 1 SO3C14H18 AB3C14D18 -111.32 2.98 -9.34 -0.9 0
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58950 24723491 1 ClSO3H11C14 ABC3D11E14 -70.11 3.73 -9.3 -1.06 0
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58951 24723499 1 ISO3H11C14 ABC3D11E14 -44.92 3.16 -9.4 -1.21 0
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58952 24723501 1 NSO3H11C15 ABC3D11E15 -28.34 4.78 -9.6 -1.34 0
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58953 24723502 1 SO4H16C20 AB4C16D20 -68.18 2.19 -9.06 -1.03 0
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58954 24723503 1 SO4H16C20 AB4C16D20 -70.96 3.71 -9.24 -1.01 0
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58955 24724001 1 FOC12H15 ABC12D15 -85.82 2.4 -10.09 -0.74 0
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58956 24724103 1 BrFOH8C10 ABCD8E10 -38.69 2.12 -10.15 -1.0 0
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58957 24724640 1 ClFNOH15C18 ABCDE15F18 -17.13 3.8 -9.15 -0.97 0
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58958 24724648 1 ClFNOH15C18 ABCDE15F18 -17.42 4.44 -9.19 -1.06 0
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58959 24724652 1 NOCl2H15C18 ABC2D15E18 21.45 5.03 -9.12 -0.95 0
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58960 24724655 1 NOF2H15C18 ABC2D15E18 -56.05 4.0 -9.08 -0.91 0
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58961 24724656 1 NOF2H15C18 ABC2D15E18 -52.21 5.43 -9.18 -0.99 0
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58962 24769846 1 KBr3O6C12H24 AB3C6D12E24 -310.27 8.22 -7.4 -2.37 0
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58963 24769847 1 PO4C28H41 AB4C28D41 -269.81 5.89 -9.07 -0.34 0
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58964 24769849 1 NC19H32 AB19C32 9.74 2.26 0.0 0.0 0
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58965 24769859 1 N4O4C41H56 A4B4C41D56 -181.97 4.68 -8.08 -0.91 0
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58966 24769862 1 BrO4H15C16 AB4C15D16 -82.99 5.07 -8.84 -0.92 0
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58967 24769899 1 NO5C22H29 AB5C22D29 -93.01 4.65 -8.97 -0.88 0
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58968 24769900 1 NO7C23H33 AB7C23D33 -280.13 3.47 -8.63 -0.33 0
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58969 24769961 1 N3O5C13H15 A3B5C13D15 -72.06 2.34 -9.72 -1.52 0
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58970 24769963 1 N3O3C14H19 A3B3C14D19 -65.08 5.49 -8.96 -0.75 0
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58971 24769973 1 ClNO3C23H38 ABC3D23E38 -181.37 2.42 -9.26 0.45 0
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58972 24770018 1 N2O4C19H26 A2B4C19D26 -152.21 2.83 -9.87 -0.5 0
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58973 24770023 2 OC9H14 AB9C14 -81.91 3.32 -8.48 0.3 0
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58974 24770031 2 O3C10H10 A3B10C10 -225.43 3.97 -9.3 -0.89 0
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58975 24770038 2 NO4C19H23 AB4C19D23 -267.63 4.16 -8.56 -0.12 0
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58976 24770040 2 S2N10O12C33H60 A2B10C12D33E60 -1116.11 5.45 -8.61 -1.06 0
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58977 24770050 1 O3C7H12 A3B7C12 -147.28 4.27 -10.48 0.4 0
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58978 24770061 2 NOSC11H16 ABCD11E16 -41.19 2.12 -8.72 -0.34 0
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58979 24770076 1 SF2N3O5C27H31 AB2C3D5E27F31 -240.37 7.66 -9.47 -1.04 0
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58980 24770099 1 O3C10H16 A3B10C16 -145.57 3.71 -9.94 0.67 0
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58981 24770105 2 N2O3H15C16 A2B3C15D16 -90.52 2.29 -8.37 -1.93 0
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58982 24770110 1 O2N3C17H19 A2B3C17D19 -28.0 5.96 -9.44 -0.18 -10
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58983 24770112 2 VN2O4C12H17 AB2C4D12E17 -306.42 6.7 -6.89 -0.92 0
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58984 24770123 2 SO2C20H20 AB2C20D20 -37.65 5.73 -8.25 -0.04 0
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58985 24770148 1 SF2N3O5C28H33 AB2C3D5E28F33 -251.89 7.64 -9.46 -0.92 0
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58986 24770152 1 O2C15H22 A2B15C22 -71.76 3.81 -8.42 0.37 0
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58987 24770159 2 OC9H14 AB9C14 -85.72 3.22 -8.13 0.23 0
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58988 24770171 1 P2N5O9C14H23 A2B5C9D14E23 -413.14 3.03 -8.99 -0.63 0
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58989 24770177 1 SN2F3O3C10H17 AB2C3D3E10F17 -275.24 13.53 -10.52 -0.64 1
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58990 24770178 1 N2C9H17 A2B9C17 18.23 0.61 0.0 0.0 0
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58992 24770180 1 N2O3C9H9 A2B3C9D9 -1.54 6.22 0.0 0.0 0
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58993 24770181 1 O5C11H12 A5B11C12 -167.38 5.05 -9.42 -1.0 0
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58994 24770183 1 O8H14C17 A8B14C17 -276.42 6.9 -9.38 -1.02 0
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58995 24770184 1 O3C9H10 A3B9C10 -118.97 4.24 -9.8 -0.67 0
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58996 24770186 1 SSiN3O8C46H57 ABC3D8E46F57 -230.08 3.59 -8.99 -0.03 0
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58997 24770187 1 NO5C17H21 AB5C17D21 -155.17 3.42 -8.54 0.07 0
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58998 24770188 1 N2O4C15H16 A2B4C15D16 -93.37 2.15 -9.69 -0.09 0
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58999 24770197 2 OH9C10 AB9C10 -10.6 1.76 -9.03 0.05 0
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59000 24770202 2 N2O2C8H11 A2B2C8D11 -104.96 7.76 -9.52 -1.08 0
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59001 24770203 1 BrSN3O3C15H18 ABC3D3E15F18 -68.65 4.62 -9.52 -1.2 0
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59002 24770206 1 SO3N4C17H24 AB3C4D17E24 -64.4 5.22 -8.62 -0.94 0
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59003 24770209 1 SF2N3O4C33H37 AB2C3D4E33F37 -169.28 6.04 -8.74 -0.99 0
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59004 24770212 1 SF2N3O4C32H41 AB2C3D4E32F41 -214.0 6.15 -8.83 -0.79 0
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59005 24770221 2 OC6H8 AB6C8 -54.65 2.01 -8.79 0.42 0
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59006 24770222 2 OC7H10 AB7C10 -63.94 2.01 -8.79 0.43 0
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59007 24770237 1 O7H16C21 A7B16C21 -197.49 8.68 -8.63 -1.23 0
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59008 24770260 1 NO4C6H13 AB4C6D13 -196.76 3.09 -10.18 0.36 0
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59009 24770263 1 O7H34C37 A7B34C37 -153.4 4.12 -8.36 -0.91 0
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59010 24770270 1 SN3O4C18H27 AB3C4D18E27 -128.51 10.05 -9.19 -0.96 0
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59011 24770283 2 OC9H14 AB9C14 -86.0 1.75 -8.72 0.5 0
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59012 24770292 1 N2O9C24H26 A2B9C24D26 -169.5 4.13 -8.64 -0.33 0
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59013 24770304 1 ON6C26H28 AB6C26D28 63.06 1.69 -8.42 -0.43 0
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59014 24770316 1 BrOC12H13 ABC12D13 -4.24 3.13 -9.33 -0.48 0
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59015 24770318 1 OSeC14H18 ABC14D18 -26.85 1.48 -8.37 -0.2 0
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59016 24770319 1 O6C17H20 A6B17C20 -211.22 6.71 -8.46 -0.75 0
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59017 24770320 3 BOSC5H5 ABCD5E5 -242.31 3.36 -8.66 -0.47 0
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59018 24770329 1 O7H32C37 A7B32C37 -143.8 5.82 -8.33 -0.83 0
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59019 24770333 1 SF3N3O4C17H22 AB3C3D4E17F22 -276.81 11.24 -9.47 -1.43 0
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59020 24770335 1 SN4O4C16H22 AB4C4D16E22 -91.71 4.74 -9.55 -1.09 0
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59021 24770338 1 N4O4C17H24 A4B4C17D24 -109.71 6.72 -9.36 -1.02 0
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59022 24770340 1 ClSF2N2O5C26H29 ABC2D2E5F26G29 -259.07 5.96 -9.53 -1.12 0
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59023 24770342 1 ClSF2N3O5C27H30 ABC2D3E5F27G30 -259.93 7.09 -9.48 -1.37 0
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59024 24770345 1 SF3N3O5C27H30 AB3C3D5E27F30 -290.86 4.55 -9.36 -1.25 0
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59025 24770346 1 SF3N3O6C30H30 AB3C3D6E30F30 -283.91 8.59 -9.07 -1.27 0
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59026 24770351 1 O2C13H18 A2B13C18 -69.92 3.29 -8.58 0.22 0
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59027 24770352 2 OC7H10 AB7C10 -75.11 2.41 -8.6 0.3 0
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59028 24770361 2 NO3C11H12 AB3C11D12 -187.67 3.43 -8.75 -0.12 0
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59029 24770373 1 ClSN2O2C32H61 ABC2D2E32F61 -127.41 10.39 -7.69 0.26 0
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59030 24770391 1 N2O7C16H18 A2B7C16D18 -259.41 2.52 -9.22 -0.73 0
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59031 24770396 1 BrO4H7C8 AB4C7D8 -139.58 5.93 -10.59 -0.55 0