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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172880 75564835 1 SO2N3C22H29 AB2C3D22E29 -25.76 6.1 -7.6 -0.65 0
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172881 75565323 1 ClO2N3C23H26 AB2C3D23E26 -23.15 7.24 -7.9 -0.32 0
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172882 75565324 1 ION3C22H24 ABC3D22E24 46.92 4.61 -7.62 -1.14 0
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172883 75565806 1 FN4H21C23 AB4C21D23 60.85 5.41 -8.22 -0.92 0
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172884 75565807 1 FSN2O4C22H25 ABC2D4E22F25 -196.6 10.16 -8.33 -1.0 0
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172885 75565976 1 FON3H24C25 ABC3D24E25 6.6 3.69 -7.85 -0.86 0
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172886 75566074 1 FO2N3C23H26 AB2C3D23E26 -59.55 4.42 -7.84 -0.04 0
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172887 75566100 1 FSN3O3H28C29 ABC3D3E28F29 -58.65 4.74 -8.1 -0.9 0
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172888 75566303 1 FSO2N3C24H24 ABC2D3E24F24 -46.36 8.79 -7.95 -0.81 0
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172889 75566421 1 ON4C25H32 AB4C25D32 8.11 1.45 -7.66 -0.1 0
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172890 75566654 1 ON3C26H29 AB3C26D29 18.81 3.65 -7.99 -0.73 0
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172891 75566989 1 ClN3O3C25H26 AB3C3D25E26 -26.21 3.19 -7.84 -0.87 0
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172892 75566990 1 Cl2O2N3C23H25 A2B2C3D23E25 -31.54 8.72 -8.13 -0.55 0
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172893 75567337 1 FOSN3C26H28 ABCD3E26F28 -25.17 6.15 -8.09 -0.72 0
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172894 75567349 1 FSO2N3C27H28 ABC2D3E27F28 -80.89 10.2 -8.54 -1.4 0
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172895 75568226 1 ClON3C24H28 ABC3D24E28 9.36 4.79 -7.56 -0.65 0
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172896 75568318 1 N5C29H31 A5B29C31 105.43 6.87 -7.94 -1.34 0
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172897 75568442 1 ClO2N3C25H30 AB2C3D25E30 -33.12 3.36 -7.86 -0.19 0
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172898 75568483 1 ClON3C26H28 ABC3D26E28 20.6 5.58 -8.23 -0.73 0
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172899 75568484 1 BrClSO2N3H25C26 ABCD2E3F25G26 -25.64 11.5 -8.6 -1.64 0
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172900 75569023 1 F2O3N4C27H28 A2B3C4D27E28 -169.08 11.57 -8.26 -1.15 0
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172901 75569673 1 BrN2S2O3H11C18 AB2C2D3E11F18 67.55 7.66 -9.28 -2.02 0
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172902 75570019 1 BrClOSN3H15C18 ABCDE3F15G18 47.42 2.41 -8.78 -1.34 0
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172903 75570020 1 FNS2O3H20C25 ABC2D3E20F25 -45.54 3.4 -8.86 -1.69 0
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172904 75570167 1 FNSO3H16C23 ABCD3E16F23 -69.93 3.7 -9.19 -1.28 0
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172905 75570290 1 ClFNO2S2H15C19 ABCD2E2F15G19 -52.51 5.37 -8.73 -1.34 0
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172906 75570291 1 BrClFNO2S2H14C19 ABCDE2F2G14H19 -47.44 4.13 -8.93 -1.34 0
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172907 75570340 1 ISN3O3H18C25 ABC3D3E18F25 58.01 6.99 -9.04 -1.51 0
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172908 75570377 1 BrN3O4H14C19 AB3C4D14E19 -32.63 7.38 -9.27 -1.62 0
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172909 75570466 1 ClNO2S2F3H13C22 ABC2D2E3F13G22 -130.17 7.71 -8.85 -1.92 0
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172910 75570957 1 S2N3O3H13C19 A2B3C3D13E19 57.42 7.83 -8.69 -1.7 0
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172911 75571176 1 N2S2O5H16C19 A2B2C5D16E19 -30.56 4.87 -8.9 -1.63 0
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172912 75572115 1 BrNS3O4H14C18 ABC3D4E14F18 -58.09 4.69 -9.08 -1.56 0
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172913 75572334 1 ClN2S2O4H13C24 AB2C2D4E13F24 53.65 5.04 -9.01 -1.97 0
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172914 75572335 1 ClN2S2O4H15C18 AB2C2D4E15F18 -14.64 4.69 -8.87 -1.91 0
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172915 75572336 1 BrN3O6H14C22 AB3C6D14E22 -65.8 5.74 -9.64 -2.33 0
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172916 75572337 1 BrS2N3O4H8C17 AB2C3D4E8F17 24.34 8.89 -9.43 -2.56 0
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172917 75572563 1 NO3C16H17 AB3C16D17 -28.95 3.51 -9.5 0.18 0
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172918 75572567 1 NO3C12H17 AB3C12D17 -103.44 2.83 -9.98 0.73 0
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172919 75572885 1 BrSO2N4C23H27 ABC2D4E23F27 -29.27 1.69 -8.21 -0.39 0
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172920 75573093 1 ClN3O4C20H22 AB3C4D20E22 -50.94 5.26 -8.74 -1.47 1
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172921 75573094 1 BrO2N3C17H19 AB2C3D17E19 79.01 4.17 0.0 0.0 0
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172922 75573439 1 O3N4C21H22 A3B4C21D22 -19.2 6.58 -8.66 -1.54 0
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172923 75573440 1 BrSN3O5C22H24 ABC3D5E22F24 -107.74 10.32 -9.18 -1.6 0
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172924 75573495 1 BrO2N4H17C18 AB2C4D17E18 55.87 3.45 -8.91 -1.47 0
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172925 75573515 1 N2O5H20C23 A2B5C20D23 -15.97 5.96 -8.58 -1.23 0
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172926 75573841 1 NO4H13C15 AB4C13D15 -24.86 6.88 -9.19 -1.47 0
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172927 75573842 2 ClOH5C7 ABC5D7 -31.69 2.66 -9.08 -1.28 0
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172928 75573843 1 NO4H13C17 AB4C13D17 -39.96 5.97 -9.2 -1.95 0
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172929 75573844 2 NOH8C9 ABC8D9 -3.81 3.57 -8.6 -0.89 0