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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383901 134975941 1 O3C14H22 A3B14C22 -128.74 3.71 -9.22 0.45 0
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383902 134975942 1 NOC16H21 ABC16D21 -14.57 1.67 -7.98 0.46 0
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383903 134975943 1 NOC9H17 ABC9D17 -60.79 4.29 -9.9 1.21 0
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383904 134975944 1 NSiO2C15H31 ABC2D15E31 -155.28 1.7 -8.66 0.94 0
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383905 134975945 1 FNSO2H8C11 ABCD2E8F11 -58.85 5.12 -10.32 -1.11 0
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383906 134975946 1 BrLiOC6H8 ABCD6E8 -78.85 3.88 -7.94 0.75 0
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383907 134975948 1 ON2C14H26 AB2C14D26 -84.62 4.2 -8.85 1.27 0
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383908 134975949 1 NOC13H27 ABC13D27 -71.1 1.04 -8.65 2.03 0
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383909 134975953 1 ClNO6C10H14 ABC6D10E14 -255.04 2.58 -10.26 -1.24 0
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383910 134975954 1 NO3C11H13 AB3C11D13 -86.52 3.28 -9.91 -1.07 0
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383911 134975956 1 BrFNOH11C14 ABCDE11F14 -28.09 2.43 -8.51 -0.76 0
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383912 134975957 1 INC4H8 ABC4D8 30.8 1.21 -9.68 -1.16 0
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383913 134975958 1 PO2C8H15 AB2C8D15 -58.18 0.64 -8.82 0.64 0
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383914 134975959 1 O5C10H18 A5B10C18 -244.72 3.23 -10.29 0.72 0
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383915 134975960 1 O3C12H14 A3B12C14 -85.95 3.68 -9.25 0.29 0
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383916 134975961 1 ClNC10H20 ABC10D20 -51.56 4.98 -9.24 0.79 0
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383917 134975962 1 ON4C13H16 AB4C13D16 35.86 4.84 -9.93 -0.89 0
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383918 134975964 1 ON4C12H14 AB4C12D14 44.21 5.43 -9.86 -0.79 0
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383919 134975965 1 MnPO3H8C9 ABC3D8E9 9.04 3.03 -7.27 -0.56 0
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383920 134975967 1 NO6C9H9 AB6C9D9 -122.6 3.99 -9.51 -2.1 0
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383921 134975970 2 SiS2C6H12 AB2C6D12 -37.49 1.1 -7.53 -0.16 0
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383922 134975971 1 LiNOPC10H19 ABCDE10F19 -104.36 9.65 -6.81 1.69 0
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383923 134975974 2 OC7H11 AB7C11 -95.28 1.2 -9.33 0.91 0
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383924 134975975 1 NC14H19 AB14C19 27.86 1.53 -8.82 0.41 0
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383925 134975979 1 NO2C11H19 AB2C11D19 -120.29 5.76 -9.64 1.0 0
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383926 134975980 2 OC7H9 AB7C9 -78.64 3.77 -9.7 -0.3 0
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383927 134975983 1 SO2Cl3C10H11 AB2C3D10E11 -93.15 5.39 -10.39 -0.77 0
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383928 134975985 1 O2C11H22 A2B11C22 -105.78 2.27 -8.92 1.25 0
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383929 134975986 2 OC5H11 AB5C11 -129.42 2.7 -9.81 2.04 0
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383930 134975988 1 NOH15C16 ABC15D16 27.18 4.83 -8.89 -0.11 0
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383931 134975989 1 KNH8C10 ABC8D10 63.04 8.88 -7.01 0.32 0
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383932 134975990 1 ClNPC14H29 ABCD14E29 -64.32 1.89 -8.24 0.79 0
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383933 134975991 1 NOC10H13 ABC10D13 9.55 2.77 -10.36 0.12 0
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383934 134975993 1 LiSH13C14 ABC13D14 31.72 6.47 -7.28 0.44 0
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383935 134975994 1 LiNC12H26 ABC12D26 -20.85 4.33 -7.21 3.06 0
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383936 134976000 1 NC15H31 AB15C31 -60.69 1.43 -8.51 2.85 0
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383937 134976004 1 LiO2C9H15 AB2C9D15 -112.43 7.8 -7.24 1.71 0
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383938 134976006 1 LiOC10H15 ABC10D15 -82.7 5.48 -7.65 2.55 0
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383939 134976009 1 OC8H14 AB8C14 -46.61 3.28 -9.31 1.29 0
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383940 134976010 1 LiOC8H13 ABC8D13 -77.46 5.38 -7.63 2.59 0
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383941 134976015 1 O2Cl3C8H13 A2B3C8D13 -143.12 2.21 -11.08 -0.54 0
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383942 134976016 1 ClNO4C13H24 ABC4D13E24 -155.45 4.81 -10.98 -0.98 0
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383943 134976017 2 NOC5H6 ABC5D6 -22.86 8.68 -9.9 -0.67 0
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383944 134976020 2 ClNC7H8 ABC7D8 52.15 2.53 -8.91 -0.38 0
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383945 134976030 1 NO7C8H13 AB7C8D13 -226.7 3.47 -10.36 -0.84 0
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383946 134976031 1 N3C14H19 A3B14C19 81.79 3.58 -9.47 -0.31 0
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383947 134976034 1 N2O3C9H12 A2B3C9D12 -22.05 8.19 -9.02 -0.99 0
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383948 134976035 1 SiO3C15H26 AB3C15D26 -157.25 2.6 -8.86 -0.88 0
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383949 134976036 1 NO3H13C14 AB3C13D14 6.37 6.62 -9.53 -1.21 0
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383950 134976038 1 O2Si2C15H32 A2B2C15D32 -223.22 1.06 -8.77 1.18 0
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383951 134976039 1 LiNC14H16 ABC14D16 52.92 7.89 -6.61 0.85 0
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383952 134976040 1 LiOSC5H7 ABCD5E7 1.57 7.61 -7.45 1.26 0
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383953 134976042 1 LiSO2C6H9 ABC2D6E9 -90.55 10.38 -7.46 1.05 0
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383954 134976043 1 O3C11H20 A3B11C20 -166.22 2.99 -9.95 0.59 0
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383956 134976045 1 SiO2C13H24 AB2C13D24 -137.18 2.18 -8.69 1.09 0
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383957 134976050 1 LiOSCl2C5H9 ABCD2E5F9 -78.73 2.81 -7.68 0.94 0
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383958 134976056 1 LiON2C12H19 ABC2D12E19 -28.31 4.98 -6.44 1.35 0
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383959 134976072 1 ON4C10H16 AB4C10D16 5.64 5.09 -10.52 -0.32 -1
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383960 134976075 1 PO4C12H16 AB4C12D16 -159.71 0.54 0.0 0.0 0
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383961 134976076 1 PC14H17 AB14C17 68.55 1.46 -8.75 0.0 0
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383962 134976078 1 LiC11H19 AB11C19 33.95 4.22 -7.61 1.68 0
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383963 134976079 1 O3C8H12 A3B8C12 -125.36 5.76 -10.11 0.04 0
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383964 134976080 1 OSiC13H24 ABC13D24 -107.57 1.36 -8.76 1.2 0
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383965 134976082 1 NOC11H21 ABC11D21 -72.04 3.25 -8.25 2.63 0
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383966 134976083 1 NOC14H19 ABC14D19 -10.04 0.44 -8.72 0.16 0
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383967 134976084 1 NO2C14H17 AB2C14D17 -78.01 6.0 -9.72 -0.02 0
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383968 134976086 1 Li2O3C8H12 A2B3C8D12 -189.29 5.29 -7.84 1.78 0
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383969 134976089 1 Li3O3C5H5 A3B3C5D5 -141.76 10.24 -7.49 2.98 0
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383970 134976090 1 NO2C6H13 AB2C6D13 -104.1 3.68 -9.68 1.14 0
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383971 134976091 1 ClNO2C11H12 ABC2D11E12 -58.08 2.22 -9.59 -1.14 0
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383972 134976092 1 O2C13H18 A2B13C18 -74.91 1.91 -9.84 -0.74 0
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383973 134976093 1 SeC13H18 AB13C18 7.97 1.74 -8.19 0.08 0
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383974 134976094 1 BrMgNH14C15 ABCD14E15 29.77 3.17 -8.71 -0.35 0
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383975 134976095 2 OC8H11 AB8C11 -65.94 3.57 -9.41 0.23 0
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383976 134976098 1 NOH9C10 ABC9D10 90.98 2.84 -10.68 -0.13 0
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383977 134976101 1 NaC8H9 AB8C9 39.53 6.49 -5.43 0.58 0
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383978 134976105 1 NC13H15 AB13C15 36.43 2.18 -8.21 0.18 0
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383979 134976109 1 LiNSC6H10 ABCD6E10 42.33 7.88 -6.88 1.69 0
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383980 134976110 1 LiPO3C9H18 ABC3D9E18 -209.57 7.09 -7.3 1.61 0
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383981 134976111 1 LiS2C8H11 AB2C8D11 16.27 5.46 -7.3 0.45 0
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383982 134976113 1 PO4C13H27 AB4C13D27 -284.69 3.82 -9.82 0.96 0
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383983 134976115 1 O3C8H12 A3B8C12 -108.43 3.38 -10.56 -0.32 0
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383984 134976117 1 NO2C12H23 AB2C12D23 -133.19 2.21 -8.71 1.09 0
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383985 134976118 1 NO4C9H17 AB4C9D17 -131.35 2.59 -10.92 -0.91 0
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383986 134976119 2 OC6H9 AB6C9 -95.25 3.73 -9.75 -0.01 0
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383987 134976120 1 NOSiC11H25 ABCD11E25 -106.22 3.6 -8.91 1.35 0
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383988 134976121 1 BrNSO2H8C11 ABCD2E8F11 -1.53 6.03 -10.11 -1.04 0
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383989 134976123 1 O3C14H26 A3B14C26 -191.04 2.38 -9.79 0.68 0
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383990 134976126 1 OF2C10H14 AB2C10D14 -168.97 4.85 -10.15 0.0 0
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383991 134976127 1 O2C13H16 A2B13C16 -57.65 3.57 -9.82 -0.3 0
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383992 134976128 1 Cl2O2C11H18 A2B2C11D18 -123.15 1.02 -10.19 0.43 0
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383993 134976130 1 NOC16H19 ABC16D19 -10.4 2.52 -8.31 0.19 0
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383994 134976132 1 NLi2C15H15 AB2C15D15 27.78 13.3 -6.4 0.28 0
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383995 134976136 1 NSi2C12H29 AB2C12D29 -106.2 0.96 -7.62 0.92 0
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383996 134976137 2 OC7H8 AB7C8 -50.54 1.05 -9.02 0.23 0
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383997 134976140 1 O3C13H16 A3B13C16 -72.44 3.37 -9.96 0.09 0
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383998 134976141 2 OC16H21 AB16C21 -6.13 1.17 -8.68 0.34 0
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383999 134976142 4 OC5H8 AB5C8 -165.47 1.29 -9.92 0.79 0
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384000 134976145 2 OC7H7 AB7C7 31.69 2.41 -9.46 0.07 0
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384002 134976148 1 NO4C25H25 AB4C25D25 -66.47 7.51 -8.55 -1.47 0