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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140913 52783069 1 SF2N3O3C14H22 AB2C3D3E14F22 -170.93 6.13 0.0 0.0 1
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140914 52783433 1 N2O2C20H25 A2B2C20D25 -6.62 5.34 0.0 0.0 0
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140915 52783593 1 BrN4O4H15C18 AB4C4D15E18 -71.13 2.47 -9.51 -1.26 0
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140916 52783616 1 BrSN2O5C18H19 ABC2D5E18F19 -160.1 3.9 -9.44 -1.17 0
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140917 52783899 1 ON4C16H26 AB4C16D26 -13.45 3.11 -8.56 0.44 2
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140918 52783900 1 ON4C16H28 AB4C16D28 -4.63 3.43 -8.55 0.14 0
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140919 52784202 1 ClF3N3O3H19C20 AB3C3D3E19F20 -240.94 4.98 -8.7 -0.95 0
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140920 52784557 1 BrN2O5C17H23 AB2C5D17E23 -188.3 5.45 -8.94 -0.68 0
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140921 52784642 1 N2O3C26H28 A2B3C26D28 -73.6 4.16 -8.68 -0.41 0
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140922 52784726 1 NO4C20H21 AB4C20D21 -100.75 4.25 -8.86 -0.66 0
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140923 52784727 1 NO2C21H21 AB2C21D21 -32.52 4.48 -8.88 -0.7 0
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140924 52784728 1 NO2C21H21 AB2C21D21 -32.26 4.98 -8.93 -0.74 0
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140925 52784729 1 F2N2O3C22H26 A2B2C3D22E26 -204.14 4.64 -8.67 -0.99 0
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140926 52784888 1 SN3O3C23H25 AB3C3D23E25 -66.83 8.25 -8.88 -0.72 0
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140927 52784959 1 N2O3C25H26 A2B3C25D26 -40.23 2.95 -8.75 -0.63 -1
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140928 52785401 1 SCl2N2O4C18H19 AB2C2D4E18F19 -102.51 2.05 0.0 0.0 0
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140929 52785911 1 SN2F3O3C12H13 AB2C3D3E12F13 -222.28 5.68 -10.01 -1.66 0
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140930 52785912 1 ClNSO3F4C11H12 ABCD3E4F11G12 -316.65 4.06 -9.97 -1.3 0
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140931 52785913 1 ClNSO3F6C12H12 ABCD3E6F12G12 -422.14 5.22 -10.11 -1.67 0
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140932 52785914 1 BrNSF3O3C12H15 ABCD3E3F12G15 -264.41 4.91 -9.93 -1.09 0
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140933 52785915 1 NSF3O5C19H22 ABC3D5E19F22 -316.04 10.16 -9.23 -0.74 0
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140934 52785916 1 BrNSF3O3C11H13 ABCD3E3F11G13 -252.74 2.03 -9.94 -1.01 0
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140935 52785917 1 NSO4F6C12H13 ABC4D6E12F13 -459.86 6.29 -10.15 -1.02 0
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140936 52786178 1 BrO2S2N3C13H14 AB2C2D3E13F14 -12.11 1.45 -8.69 -1.22 0
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140937 52786417 1 SO3N4C19H22 AB3C4D19E22 -38.86 6.45 -8.19 -0.52 0
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140938 52786465 1 BrO2N5H14C16 AB2C5D14E16 35.93 2.44 -9.29 -1.3 0
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140939 52786635 1 ClN3O3C20H20 AB3C3D20E20 -29.94 6.78 -9.32 -0.83 0
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140940 52786718 1 N2O2F3C18H21 A2B2C3D18E21 -235.27 3.79 -9.24 -0.91 0
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140941 52786940 1 SN2O4C19H28 AB2C4D19E28 -187.92 7.28 -9.22 -0.75 0
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140942 52787200 1 N3O5C25H31 A3B5C25D31 -174.2 7.72 -8.6 -0.66 1
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140943 52787700 1 O2N4C27H39 A2B4C27D39 -50.33 5.61 0.0 0.0 0
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140944 52787701 1 O2N4C27H38 A2B4C27D38 -59.09 4.59 -8.63 -0.26 1
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140945 52787984 1 SN2O2C16H29 AB2C2D16E29 -68.7 5.35 0.0 0.0 0
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140946 52788509 1 O2N3C17H21 A2B3C17D21 -38.36 3.91 -8.57 -1.2 0
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140947 52788608 1 NO2C14H21 AB2C14D21 -100.28 2.68 -9.3 -0.1 0
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140948 52788609 1 NO4C20H21 AB4C20D21 -137.72 1.79 -8.35 -0.15 0
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140949 52788770 1 ClNO5C19H20 ABC5D19E20 -185.56 4.77 -8.55 -0.46 0
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140950 52788771 1 NO6C19H21 AB6C19D21 -212.65 3.77 -8.74 -0.16 0
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140951 52788772 1 NO5C22H27 AB5C22D27 -193.22 3.92 -8.64 -0.15 0
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140952 52789094 1 N2O4C23H24 A2B4C23D24 -55.21 7.2 -8.77 -0.52 0
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140953 52789159 1 FN3O3H18C21 AB3C3D18E21 -15.68 5.99 -8.91 -1.76 0
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140954 52789471 1 ClSN2O2H13C16 ABC2D2E13F16 -11.61 3.17 -8.4 -1.42 0
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140955 52789652 1 ClNO3C20H24 ABC3D20E24 -103.06 4.15 -9.16 -0.14 0
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140956 52789653 1 ClS2N3O4C19H26 AB2C3D4E19F26 -143.25 9.64 -8.91 -1.03 0
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140957 52789681 1 N3O3C22H29 A3B3C22D29 -110.49 5.06 -8.94 -0.09 0
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140958 52789993 1 ClION2C16H22 ABCD2E16F22 -32.72 4.25 -8.57 -1.4 1
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140959 52790566 1 N2O2C22H29 A2B2C22D29 -24.88 2.89 0.0 0.0 0
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140960 52790585 1 SN3O3C21H33 AB3C3D21E33 -127.18 7.13 -8.85 -0.77 1
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140961 52790586 1 SN3O3C22H30 AB3C3D22E30 -64.1 4.2 0.0 0.0 0
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140962 52790587 1 SN3O3C22H29 AB3C3D22E29 -90.51 2.63 -8.69 -1.17 1
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140963 52790588 1 SN3O3C22H30 AB3C3D22E30 -63.22 7.49 0.0 0.0 1
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140964 52790694 1 F2O2N3C21H32 A2B2C3D21E32 -172.36 17.34 0.0 0.0 0
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140965 52790849 1 OSN5C27H27 ABC5D27E27 89.55 7.35 -9.23 -1.08 0
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140966 52791166 1 NSF4O4C13H15 ABC4D4E13F15 -321.85 8.51 -9.34 -0.98 0
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140967 52791167 1 NSF3O4C14H18 ABC3D4E14F18 -284.19 9.21 -9.14 -0.67 0
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140968 52791168 1 ClNS2F3O4C12H13 ABC2D3E4F12G13 -281.99 7.36 -10.33 -1.46 0
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140969 52792001 1 BrO2N4C15H17 AB2C4D15E17 11.7 5.85 -8.84 -0.22 0
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140970 52792002 1 SN5O5C18H23 AB5C5D18E23 -92.89 9.64 -9.18 -0.7 0
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140971 52792437 1 SN3O4C23H31 AB3C4D23E31 -138.31 12.57 -8.74 -0.68 2
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140972 52792724 1 ON3C22H37 AB3C22D37 -18.64 11.57 -6.24 -0.8 1
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140973 52792752 1 N2O3C18H29 A2B3C18D29 -98.13 6.51 0.0 0.0 0
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140974 52793007 1 S2N3O5C16H19 A2B3C5D16E19 -139.11 3.31 -9.19 -1.6 0
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140975 52793121 1 N2O2C17H18 A2B2C17D18 -30.67 4.82 -8.7 -0.62 0
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140976 52793711 1 N3O3C23H29 A3B3C23D29 -82.48 4.4 -8.14 -0.27 0
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140977 52793755 2 NO2C11H14 AB2C11D14 -148.77 5.42 -8.64 -0.17 0
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140978 52793756 1 SN2O4C23H24 AB2C4D23E24 -87.81 6.29 -8.66 -0.75 0
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140979 52793843 1 ClSN3O4H18C22 ABC3D4E18F22 -59.36 7.93 -8.96 -1.18 0
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140980 52794424 1 BrN2O2C16H17 AB2C2D16E17 -50.43 4.72 -8.98 -0.36 0
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140981 52794970 1 SN3O3C18H25 AB3C3D18E25 -121.45 4.15 -8.39 -0.42 0
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140982 52794971 1 SN3O3C18H25 AB3C3D18E25 -109.89 7.02 -8.7 -0.39 0
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140983 52794972 1 SN4O5C20H28 AB4C5D20E28 -153.2 9.74 -9.17 -0.53 0
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140984 52795212 1 N4O4C23H32 A4B4C23D32 -188.35 5.14 -9.25 -0.08 0
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140985 52795213 1 N4O4C23H32 A4B4C23D32 -183.84 3.66 -9.57 0.16 0
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140986 52795515 1 FN2O2C20H25 AB2C2D20E25 -101.82 2.71 -8.66 -0.05 0
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140987 52795516 1 FSN3O3C21H26 ABC3D3E21F26 -128.89 6.71 -8.53 -0.79 0
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140988 52795517 1 BrFOSN2C17H18 ABCDE2F17G18 -38.19 2.66 -9.08 -0.86 0
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140989 52795518 1 FO2N3C25H26 AB2C3D25E26 -61.95 4.74 -9.08 -0.35 1
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140990 52796095 1 NO4C19H24 AB4C19D24 -91.41 6.47 0.0 0.0 0
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140991 52796169 1 N4O4C23H38 A4B4C23D38 -227.56 4.7 -9.44 0.32 0
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140992 52796486 1 BrN2O2C21H23 AB2C2D21E23 -45.01 4.35 -8.1 -0.91 0
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140993 52796549 1 NO5H25C28 AB5C25D28 -105.28 3.27 -8.67 -1.27 1
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140994 52797191 1 SO2N3C18H30 AB2C3D18E30 -73.54 5.85 0.0 0.0 1
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140995 52797366 1 S2N3O3C22H30 A2B3C3D22E30 -66.69 4.93 0.0 0.0 0
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140996 52798201 1 F3O3N4C20H23 A3B3C4D20E23 -237.81 8.34 -9.49 -0.92 0
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140997 52798254 1 N2O2C21H28 A2B2C21D28 -64.64 4.6 -8.8 -0.3 0
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140998 52798255 1 ClN2O2C20H25 AB2C2D20E25 -62.62 5.73 -8.96 -0.25 1
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140999 52798545 1 SO3N4C22H31 AB3C4D22E31 -58.44 1.19 0.0 0.0 1
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141000 52798741 1 ClS2N3O3C21H29 AB2C3D3E21F29 -78.0 14.0 0.0 0.0 0
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141001 52798845 1 O3N5C26H29 A3B5C26D29 -72.37 7.58 -9.01 -0.35 0
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141002 52798846 1 O3N5C26H29 A3B5C26D29 -73.52 6.77 -8.93 -0.24 0
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141003 52798847 1 O3N5C26H29 A3B5C26D29 -74.41 3.88 -9.15 -0.43 0
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141004 52798848 1 BrFO2N3H19C23 ABC2D3E19F23 -22.67 3.78 -9.01 -0.68 0
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141005 52798849 1 SO3N4C24H24 AB3C4D24E24 -21.58 9.28 -9.04 -0.93 0
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141006 52798925 1 SN3O3C18H29 AB3C3D18E29 -109.24 4.62 -9.2 -0.4 0
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141007 52799288 1 N3O3C22H35 A3B3C22D35 -181.14 1.09 -9.46 0.26 0
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141008 52799740 1 O4N5C24H33 A4B5C24D33 -146.66 3.12 -9.25 -0.3 0
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141009 52800100 1 SN2O2H18C22 AB2C2D18E22 3.44 3.84 -8.92 -1.3 0
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141010 52800139 1 N3O5C23H23 A3B5C23D23 -153.65 4.88 -8.81 -0.48 0
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141011 52800745 1 N2O3C19H34 A2B3C19D34 -163.38 3.06 -9.06 0.63 0
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141012 52800981 1 SO2N3C23H23 AB2C3D23E23 7.14 7.15 -8.87 -0.37 0