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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406997 135079089 1 SiO3C23H36 AB3C23D36 -167.46 1.32 -8.78 -0.53 0
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406998 135079090 1 SN2O2C22H22 AB2C2D22E22 11.95 6.21 -9.52 -1.16 0
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406999 135079092 2 OC9H10 AB9C10 9.78 2.03 -9.29 0.1 0
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407000 135079093 1 SiO2C19H24 AB2C19D24 -86.28 1.12 -8.88 -0.46 0
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407001 135079094 1 BrSi2O3C26H47 AB2C3D26E47 -220.78 1.04 -8.79 -0.2 0
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407002 135079095 1 O4H26C29 A4B26C29 -45.04 1.31 -9.1 -0.12 0
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407003 135079096 1 OC14H16 AB14C16 26.84 1.86 -8.91 -0.06 0
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407004 135079097 1 NF3O4H26C27 AB3C4D26E27 -277.42 6.74 -9.12 -1.1 0
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407005 135079098 1 NSiO4C29H37 ABC4D29E37 -167.06 7.12 -8.82 0.01 0
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407006 135079099 1 OC12H12 AB12C12 25.31 4.26 -9.38 -0.71 0
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407007 135079100 1 N5O7H15C18 A5B7C15D18 -27.13 11.08 -10.02 -1.63 1
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407008 135079101 1 N5O7H16C18 A5B7C16D18 -18.76 11.1 0.0 0.0 0
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407009 135079102 1 NSO2H15C16 ABC2D15E16 -24.69 6.65 -8.45 -0.58 0
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407010 135079107 1 ClNO3H20C21 ABC3D20E21 -30.13 3.21 -8.7 -0.85 0
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407011 135079127 1 BrO3C13H15 AB3C13D15 -101.41 2.01 -9.63 -0.44 0
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407012 135079129 1 BrSiO3C29H39 ABC3D29E39 -141.96 3.48 -9.0 -0.5 0
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407013 135079134 1 NO6C15H17 AB6C15D17 -147.06 5.33 -10.1 -1.67 0
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407014 135079136 1 NNaC5H6 ABC5D6 9.14 8.84 -7.11 0.25 0
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407015 135079145 1 SiO4C16H32 AB4C16D32 -179.44 1.94 -7.57 0.2 0
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407016 135079146 1 SiO2C12H26 AB2C12D26 -178.89 1.2 -8.82 1.26 0
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407017 135079147 1 NOC19H19 ABC19D19 20.42 3.74 -9.21 -0.66 0
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407018 135079148 1 NOH17C18 ABC17D18 29.95 3.49 -9.22 -0.67 0
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407019 135079149 1 NSO2C13H13 ABC2D13E13 -65.25 4.8 -9.31 -1.08 0
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407020 135079151 1 OPN2F6C13H19 ABC2D6E13F19 -493.7 15.37 -10.43 -0.88 0
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407021 135079152 1 OPN2F6C15H23 ABC2D6E15F23 -476.04 26.08 -10.99 -1.61 0
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407022 135079153 1 O3C14H20 A3B14C20 -132.26 3.09 -8.75 0.24 0
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407023 135079154 1 NOS3H7C11 ABC3D7E11 49.92 2.75 -8.56 -1.32 0
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407024 135079155 1 O2N5C13H17 A2B5C13D17 -9.22 11.04 -9.09 -0.87 0
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407025 135079156 1 O2N4H6C9 A2B4C6D9 88.34 1.5 -9.77 -2.12 0
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407026 135079157 1 BrNF3O4H7C10 ABC3D4E7F10 -226.07 4.28 -10.95 -1.97 0
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407027 135079159 1 N2S2O3C10H12 A2B2C3D10E12 -43.25 1.77 -8.55 -0.32 0
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407028 135079160 1 BrNSSiCl3O4C24H41 ABCDE3F4G24H41 -277.57 4.46 -8.71 -0.5 0
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407029 135079162 1 O3C27H32 A3B27C32 -92.02 2.37 -9.31 0.22 0
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407030 135079163 1 NOC20H23 ABC20D23 43.46 3.64 -8.44 -0.48 0
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407031 135079172 1 NOC15H23 ABC15D23 -11.48 4.76 -9.19 0.08 0
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407032 135079173 1 NSSnO2C12H17 ABCD2E12F17 -9.95 9.63 -10.03 -0.5 0
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407033 135079174 1 SO2N3H23C25 AB2C3D23E25 12.84 6.5 -8.46 -0.34 0
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407034 135079181 1 NO4C22H31 AB4C22D31 -178.67 5.09 -9.11 -0.34 0
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407035 135079183 2 OC5H9 AB5C9 -93.92 3.57 -8.98 0.33 0
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407036 135079184 1 NO2C16H25 AB2C16D25 -102.04 4.48 -9.24 0.11 0
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407037 135079185 1 SiO3C23H32 AB3C23D32 -112.79 1.72 -9.0 0.32 0
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407038 135079202 1 O5C15H18 A5B15C18 -183.4 1.28 -9.35 -0.13 0
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407039 135079203 1 BSiO3C17H33 ABC3D17E33 -264.12 3.99 -8.56 0.79 0
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407040 135079204 1 SN2O2H12C15 AB2C2D12E15 71.12 3.74 -8.87 -1.4 0
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407041 135079205 1 IO4C21H23 AB4C21D23 -75.04 4.08 -9.09 -0.69 0
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407042 135079206 1 O3C28H34 A3B28C34 -69.16 3.44 -8.83 0.16 0
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407043 135079207 1 O3C20H26 A3B20C26 -72.74 4.74 -8.79 0.18 0
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407044 135079208 1 BrNSO2C19H32 ABCD2E19F32 -84.4 6.06 -7.33 -0.02 0
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407045 135079209 1 BSF4C19H27 ABC4D19E27 -345.23 19.62 -9.83 -1.59 1
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407046 135079210 1 SC19H27 AB19C27 -7.81 2.47 0.0 0.0 0