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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412089 135084955 1 OPdN2C24H28 ABC2D24E28 82.84 4.51 -7.18 -0.58 0
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412090 135084956 1 NOC11H21 ABC11D21 -67.77 0.93 -8.05 1.37 -2
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412091 135084957 1 IrPN2C29H33 ABC2D29E33 208.82 17.49 0.0 0.0 0
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412093 135084959 1 RuCl2N4H8F20C44 AB2C4D8E20F44 -292.47 7.03 -7.82 -3.0 0
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412094 135084960 1 CuN2O2C30H30 AB2C2D30E30 71.54 6.86 0.0 0.0 -1
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412095 135084961 1 IrON2C11H13 ABC2D11E13 105.59 8.68 -8.62 -4.61 2
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412097 135084963 1 CuLiN2C18H36 ABC2D18E36 -7.93 5.96 -6.6 0.68 0
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412098 135084964 2 BNaH4O5 ABC4D5 -588.57 3.11 -7.95 0.79 -1
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412099 135084965 1 LiNZnCl2C10H21 ABCD2E10F21 -262.88 4.64 0.0 0.0 0
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412102 135084968 1 LiOSiC8H17 ABCD8E17 -102.24 4.08 -8.72 1.45 0
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412103 135084976 1 ClF2O2H3C8 AB2C2D3E8 -124.14 2.02 -10.14 -1.63 0
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412104 135084978 2 N2O3C27H29 A2B3C27D29 -87.27 2.52 -8.48 -1.15 0
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412105 135084979 1 NTiO4C27H35 ABC4D27E35 -102.38 7.27 -6.41 -0.45 0
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412106 135084980 1 NTiO4C36H53 ABC4D36E53 -162.21 6.5 -7.96 -3.13 0
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412108 135084982 1 CoN2O6C36H52 AB2C6D36E52 -339.71 35.71 0.0 0.0 0
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412109 135084983 2 NO2C17H24 AB2C17D24 -183.02 3.43 -8.04 -0.64 1
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412110 135084984 1 N6C32H39 A6B32C39 70.09 4.17 0.0 0.0 1
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412111 135084985 1 N4H31C34 A4B31C34 118.59 3.22 0.0 0.0 0
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412112 135084986 2 N2H15C17 A2B15C17 125.6 3.56 -8.29 -0.98 0
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412113 135084987 1 FeNC23H35 ABC23D35 152.92 4.29 -7.56 -0.53 0
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412114 135084988 1 FeNOSiC25H48 ABCDE25F48 91.98 2.84 0.0 0.0 0
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412115 135084989 1 OPN2C31H31 ABC2D31E31 56.29 3.12 -8.75 -0.67 0
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412116 135084990 1 N6O7C42H60 A6B7C42D60 -343.36 7.11 -9.17 0.22 0
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412117 135084991 1 BrNSC16H16 ABCD16E16 53.33 5.93 -7.56 -1.14 -1
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412118 135084992 1 NOC16H20 ABC16D20 33.38 2.54 0.0 0.0 0
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412119 135084993 1 NOC16H21 ABC16D21 11.81 2.51 -8.58 0.2 0
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412120 135084994 2 NOPH21C27 ABCD21E27 107.57 5.77 -8.38 -0.38 0
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412121 135084995 1 CInSF3O3 ABCD3E3 -275.87 3.2 -10.14 -1.08 0
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412122 135084996 1 NPO4C65H98 ABC4D65E98 -237.16 2.63 -8.2 0.43 0
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412123 135084997 1 SN2O3C36H42 AB2C3D36E42 -29.95 17.58 -8.48 -0.93 -1
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412126 135085000 1 NO3C11H11 AB3C11D11 -54.97 2.84 -9.55 -0.21 0
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412127 135085001 1 ClCuPC12H27 ABCD12E27 -53.21 5.66 -8.22 0.44 1
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412128 135085002 1 ON2F12H31C37 AB2C12D31E37 -568.08 3.43 0.0 0.0 0
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412129 135085003 1 ClO2N4H33C35 AB2C4D33E35 34.46 4.96 -8.92 -1.11 0
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412130 135085004 1 NOPC19H32 ABCD19E32 -66.17 3.21 -7.5 0.7 0
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412131 135085005 1 BPF4C9H22 ABC4D9E22 -393.12 1.66 -8.35 0.82 0
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412134 135085008 1 Ti2N4O10C73H102 A2B4C10D73E102 -377.54 3.58 -7.9 -3.3 0
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412135 135085009 1 N4O8C73H98 A4B8C73D98 -305.57 3.05 -8.06 -0.9 0
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412136 135085010 1 NPO2H38C40 ABC2D38E40 -22.64 0.51 -8.31 -0.36 0
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412139 135085013 1 IrN4C11H20 AB4C11D20 210.03 22.77 0.0 0.0 -2
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412140 135085014 1 IrN3C21H33 AB3C21D33 195.66 11.42 0.0 0.0 1
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412141 135085015 1 N2C41H43 A2B41C43 106.04 2.02 0.0 0.0 0
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412142 135085016 1 NiN4C19H37 AB4C19D37 80.31 1.51 0.0 0.0 -2
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412143 135085017 1 BrNiN5C29H35 ABC5D29E35 126.13 3.75 0.0 0.0 0
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412144 135085018 1 N5C29H37 A5B29C37 76.03 4.34 -7.97 -0.36 0
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412145 135085019 1 PdN2O2C32H34 AB2C2D32E34 85.08 19.04 -5.49 -0.92 8
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412147 135085021 1 OBr3N3H12C18 AB3C3D12E18 86.26 2.27 -9.1 -0.96 0
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412148 135085022 1 ON3C18H25 AB3C18D25 7.53 1.58 -9.26 0.46 0
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412150 135085024 1 SN4O4C28H32 AB4C4D28E32 -85.65 4.31 -8.68 -0.71 0
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412151 135085025 1 Br2O2N4C57H66 A2B2C4D57E66 102.67 16.69 -7.52 -1.14 2