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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412957 135085894 1 OSiC14H22 ABC14D22 -57.68 1.72 -8.35 0.4 0
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412958 135085895 1 SN2O4C11H14 AB2C4D11E14 -122.07 6.7 -9.46 -0.73 0
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412959 135085896 1 OC14H24 AB14C24 -77.94 3.18 -9.46 0.25 0
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412960 135085897 1 NO3C12H19 AB3C12D19 -145.17 2.09 -10.38 -0.35 0
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412961 135085898 1 FNOSH8C11 ABCDE8F11 -11.24 3.57 -8.66 -0.57 0
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412962 135085900 1 ClFNZnH3C5 ABCDE3F5 22.41 2.05 -8.18 -1.52 0
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412963 135085901 1 LiMgNCl2C6H12 ABCD2E6F12 -141.49 5.25 -8.19 0.7 0
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412964 135085902 1 NNaO2C5H6 ABC2D5E6 -93.92 13.71 -9.31 0.04 0
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412965 135085903 1 SF3O4H7C9 AB3C4D7E9 -272.05 2.14 -10.34 -1.62 0
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412966 135085904 1 SF3O4H5C6 AB3C4D5E6 -275.99 2.85 -9.8 -1.52 0
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412967 135085905 1 NOC9H11 ABC9D11 -0.74 3.42 -8.93 -0.19 0
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412968 135085906 1 BrO2C13H15 AB2C13D15 -55.62 3.12 -8.66 0.02 1
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412969 135085907 1 BrClNO2H6C10 ABCD2E6F10 -1.32 3.57 0.0 0.0 0
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412970 135085908 1 KO3F4C5H5 AB3C4D5E5 -393.44 15.07 -9.16 -0.56 0
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412971 135085909 1 SO3C19H32 AB3C19D32 -161.44 3.87 -10.26 -0.67 0
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412972 135085910 1 NC13H15 AB13C15 37.91 2.63 -8.13 0.34 0
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412973 135085911 1 NSO3H23C24 ABC3D23E24 -9.23 5.6 -8.82 -0.44 0
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412974 135085912 1 BKSF3H5C6 ABCD3E5F6 -291.98 10.89 -7.97 0.1 -1
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412975 135085913 1 BSF3H5C6 ABC3D5E6 -177.48 13.66 0.0 0.0 0
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412976 135085914 2 OC7H9 AB7C9 -54.88 2.03 -9.38 0.3 0
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412977 135085915 1 FOS2C14H19 ABC2D14E19 -89.42 1.64 -9.04 -1.23 0
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412978 135085916 2 OC7H8 AB7C8 -40.13 2.29 -9.36 -0.63 0
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412979 135085919 1 FO5C6H11 AB5C6D11 -281.95 2.0 -10.53 0.91 0
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412980 135085921 1 BrIOC10H10 ABCD10E10 -0.12 0.78 -9.58 -1.24 0
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412981 135085923 1 NOC11H15 ABC11D15 1.39 0.55 -9.17 0.44 0
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412982 135085924 1 BN3C9H16 AB3C9D16 -22.14 6.29 -8.49 0.71 0
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412983 135085927 1 Br2H2O3C5 A2B2C3D5 -77.42 4.55 -10.22 -1.36 0
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412984 135085928 1 FOC9H9 ABC9D9 -43.9 1.35 -9.77 -0.24 0
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412985 135085929 1 AgC2F3 AB2C3 -71.31 4.55 -8.68 -3.22 0
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412986 135085930 1 ClOH9C10 ABC9D10 29.91 1.57 -8.76 -0.2 0
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412987 135085931 1 SiO4C10H22 AB4C10D22 -214.71 1.37 -8.22 0.7 0
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412988 135085932 1 NVCl3C8H9 ABC3D8E9 -95.79 1.85 -8.66 -0.76 0
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412989 135085933 1 BF3O3H8C9 AB3C3D8E9 -317.72 0.23 -9.63 -0.64 0
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412990 135085934 1 PO4C11H21 AB4C11D21 -259.79 2.39 -10.17 0.64 0
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412991 135085935 1 ON4C8H12 AB4C8D12 16.56 2.53 -10.03 -0.58 0
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412992 135085936 1 SiO2C14H24 AB2C14D24 -136.37 6.15 -9.33 0.41 0
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412993 135085937 1 C5O6H10 A5B6C10 -276.54 0.93 -10.65 0.82 0
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412994 135085938 1 O5C9H12 A5B9C12 -180.65 3.86 -10.43 0.17 0
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412995 135085939 2 OC7H9 AB7C9 -22.28 1.71 -9.88 0.83 0
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412996 135085940 1 OSeN3H7C8 ABC3D7E8 71.6 5.53 -8.92 -1.25 0
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412997 135085941 1 N2O2C7H10 A2B2C7D10 -26.85 1.14 -9.15 -0.76 1
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412998 135085942 1 N2O2C7H11 A2B2C7D11 -14.96 5.73 0.0 0.0 0
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412999 135085943 1 N2C3Cl4 A2B3C4 57.5 2.81 -11.1 -1.69 0
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413000 135085944 1 NSO2C12H23 ABC2D12E23 -98.4 3.63 -9.96 0.41 0
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413001 135085945 1 NSiO3C18H27 ABC3D18E27 -170.59 4.61 -8.76 0.31 0
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413002 135085946 1 NOSF3C8H14 ABCD3E8F14 -202.3 2.78 -8.71 -0.32 0
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413003 135085947 1 N2O3C12H14 A2B3C12D14 -100.22 1.63 -9.22 -0.21 0
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413004 135085948 1 ClNC15H18 ABC15D18 57.8 2.64 -8.95 0.23 0
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413005 135085949 1 NSC13H13 ABC13D13 58.91 1.66 -8.72 -0.71 0
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413006 135085950 1 O5C17H30 A5B17C30 -259.6 2.82 -10.68 -0.35 0
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413007 135085951 1 N4O5C15H28 A4B5C15D28 -157.37 6.83 -9.58 -0.19 0
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413008 135085952 1 N2O3C22H26 A2B3C22D26 -76.72 2.25 -9.12 -0.57 0
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413009 135085953 1 N2O3C19H28 A2B3C19D28 -112.56 4.14 -8.83 -0.62 0
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413010 135085954 2 NOC6H6 ABC6D6 4.63 1.17 -9.2 -0.8 1
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413011 135085955 1 N2O2C12H13 A2B2C12D13 14.33 4.15 0.0 0.0 0
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413012 135085956 2 N2C6H7 A2B6C7 136.73 4.9 -8.28 -0.06 0
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413013 135085957 1 SO2N4H22C29 AB2C4D22E29 157.45 6.03 -8.6 -0.68 0
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413014 135085958 2 OC6H12 AB6C12 -136.74 2.62 -9.7 1.2 0
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413015 135085959 1 SN2O3H22C25 AB2C3D22E25 -24.17 5.98 -8.75 -0.67 0
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413016 135085960 1 FNSiC12H20 ABCD12E20 -81.98 3.08 -8.6 0.15 0
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413017 135085961 1 NF2H5C9 AB2C5D9 -28.6 4.24 -10.02 -0.89 0
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413018 135085962 1 SF2O3H12C15 AB2C3D12E15 -163.41 6.47 -8.95 -0.85 0
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413019 135085963 1 O3C13H22 A3B13C22 -148.01 3.94 -10.04 0.32 0
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413020 135085964 1 NOC14H15 ABC14D15 -14.57 3.72 -8.79 -0.91 0
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413021 135085965 1 BrNSO2H16C22 ABCD2E16F22 16.2 4.25 -8.92 -1.1 0
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413022 135085966 1 NSO3C12H17 ABC3D12E17 -92.17 6.24 -9.56 -0.38 0
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413023 135085967 1 NSO3C13H19 ABC3D13E19 -98.81 6.38 -9.62 -0.41 0
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413024 135085968 1 OH14C17 AB14C17 17.31 1.78 -8.75 -0.82 0
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413025 135085969 1 OF3H15C22 AB3C15D22 -106.68 4.3 -9.58 -0.99 0
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413026 135085970 1 O2F3H13C17 A2B3C13D17 -171.25 5.34 -9.5 -0.84 0
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413027 135085971 1 SN2O2H18C19 AB2C2D18E19 9.2 4.72 -9.35 -0.94 0
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413028 135085972 1 SN2O4C15H16 AB2C4D15E16 -103.76 5.64 -9.54 -0.84 0
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413029 135085973 1 O5C15H18 A5B15C18 -194.02 2.47 -9.68 -0.4 0
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413030 135085974 1 ClNOF3H9C11 ABCD3E9F11 -181.54 4.8 -9.71 -0.69 0
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413031 135085975 1 ClNOF3H9C11 ABCD3E9F11 -181.06 3.29 -9.6 -0.51 0