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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403113 135058802 1 ClNSO3H14C20 ABCD3E14F20 -62.92 6.41 -8.97 -1.05 0
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403114 135058803 1 ClNSO4H16C21 ABCD4E16F21 -106.11 7.87 -8.94 -0.95 0
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403115 135058804 1 SN2O2C13H18 AB2C2D13E18 -47.28 5.86 -9.52 -0.05 0
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403116 135058811 1 N3O3C17H19 A3B3C17D19 -25.58 5.65 -9.19 -1.23 0
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403117 135058812 3 NC5H5 AB5C5 79.14 5.19 -8.92 -0.57 0
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403118 135058814 1 N3C16H17 A3B16C17 69.11 5.45 -8.81 -0.62 0
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403119 135058815 1 SN2O3C10H14 AB2C3D10E14 -66.24 5.21 -8.83 -0.12 0
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403120 135058817 1 BNO2C22H24 ABC2D22E24 -111.01 4.99 -8.59 -0.34 0
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403121 135058820 1 BNO5C19H28 ABC5D19E28 -310.58 3.12 -8.65 -0.27 0
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403122 135058823 1 NO4H15C18 AB4C15D18 -71.03 4.17 -9.03 -1.06 0
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403123 135058826 1 N2O2F7H21C22 A2B2C7D21E22 -386.81 9.34 -9.06 -1.46 0
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403124 135058827 2 O2C7H10 A2B7C10 -160.01 1.46 -9.34 0.14 0
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403125 135058828 1 O4C15H20 A4B15C20 -140.47 1.54 -9.21 -0.09 0
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403126 135058829 1 BrClNO2H17C18 ABCD2E17F18 -53.37 4.16 -9.57 -0.85 0
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403127 135058833 1 NOH17C23 ABC17D23 73.4 3.81 -8.12 -0.48 0
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403128 135058846 1 NO2H19C20 AB2C19D20 -7.53 0.39 -8.62 -0.57 0
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403129 135058853 1 O5H26C30 A5B26C30 -87.53 1.64 -8.31 -0.25 0
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403130 135058876 1 O4H16C17 A4B16C17 -72.48 3.04 -9.2 -0.07 0
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403131 135058879 1 OSN5H19C21 ABC5D19E21 105.94 8.27 -8.93 -1.26 0
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403132 135058881 1 SiO2C18H20 AB2C18D20 -60.1 2.35 -9.3 -0.23 0
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403133 135058903 1 N3S4O10C21H25 A3B4C10D21E25 -360.59 6.95 -9.23 -1.0 0
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403134 135058906 1 PO4H29C35 AB4C29D35 -46.93 4.92 -8.23 -0.6 0
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403135 135058907 1 PO6C33H43 AB6C33D43 -234.14 6.98 -8.26 -0.36 0
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403136 135058908 1 PSH25C34 ABC25D34 146.84 5.7 -8.53 -0.77 0
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403137 135058909 1 ClO3C15H17 AB3C15D17 -128.33 4.76 -9.44 -1.02 0
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403138 135058919 1 ClSN2O4C19H21 ABC2D4E19F21 -111.95 5.11 -9.0 -1.1 0
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403139 135058922 1 OC14H16 AB14C16 -25.06 4.38 -8.99 -0.46 0
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403140 135058923 1 NH19C20 AB19C20 62.84 2.56 -9.01 -0.18 0
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403141 135058931 1 O2C17H18 A2B17C18 -43.66 4.49 -8.94 0.08 0
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403142 135058932 1 O2C17H18 A2B17C18 -44.54 1.98 -9.18 -0.06 0
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403143 135058954 1 N2F3H11C12 A2B3C11D12 -95.73 5.08 -9.39 -0.81 0
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403144 135058955 1 NO2C13H17 AB2C13D17 -66.08 2.85 -9.86 -0.93 0
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403145 135058960 1 NOI2H6F7C15 ABC2D6E7F15 -298.02 7.61 -9.96 -1.8 0
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403146 135058961 1 NOI2F7H8C16 ABC2D7E8F16 -307.84 8.6 -9.87 -1.77 0
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403147 135058970 1 N2O2C13H16 A2B2C13D16 -54.32 3.23 -9.16 -0.6 0
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403148 135058971 1 ClB2N2O4C21H33 AB2C2D4E21F33 -308.7 6.7 -8.46 0.07 0
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403149 135058981 2 O2C7H9 A2B7C9 -157.69 1.1 -8.84 0.14 0
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403150 135058982 1 NO3C15H19 AB3C15D19 -93.99 2.01 -9.57 -1.09 0
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403151 135058989 2 NO2C8H9 AB2C8D9 -67.14 8.59 -9.01 -1.17 0
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403152 135058992 1 FN3O5H24C27 AB3C5D24E27 -138.18 8.59 -9.18 -0.97 0
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403153 135058993 1 O2N5H11C12 A2B5C11D12 42.22 6.25 -10.68 -2.58 0
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403154 135058994 1 PN3O5C16H24 AB3C5D16E24 -212.24 6.66 -9.2 -0.56 0
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403155 135058997 1 ClN3O3H12C16 AB3C3D12E16 -14.62 4.04 -9.02 -2.56 0
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403156 135058998 1 BrON3H10C15 ABC3D10E15 84.12 2.19 -9.55 -1.14 0
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403157 135059008 1 O5H22C28 A5B22C28 -101.97 1.84 -8.41 -0.4 0
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403158 135059013 2 N2O2C9H10 A2B2C9D10 -84.66 1.83 -8.45 -2.26 -2
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403159 135059015 1 NPO9C14H18 ABC9D14E18 -327.49 3.31 -9.73 -1.71 0
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403160 135059016 1 NPO9C14H20 ABC9D14E20 -437.23 2.18 -9.74 -0.68 0
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403161 135059023 1 ClOH9C10 ABC9D10 -22.75 2.16 -8.87 -0.34 0
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403162 135059024 1 BClKF3C8H14 ABCD3E8F14 -364.38 9.96 -9.19 0.11 -1
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403163 135059025 1 BClF3C8H14 ABC3D8E14 -265.5 3.53 0.0 0.0 0
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403164 135059027 1 NO8C14H15 AB8C14D15 -212.43 4.56 -9.92 -2.04 0
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403165 135059028 1 NO6H11C12 AB6C11D12 -53.63 4.21 -9.66 -1.86 0
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403166 135059032 1 NPO4C26H32 ABC4D26E32 -138.19 5.14 -8.18 -0.04 0
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403167 135059035 1 PSC20H21 ABC20D21 13.68 6.23 -8.52 -0.19 0
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403168 135059038 1 NOH19C21 ABC19D21 69.04 0.52 -9.22 0.0 0
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403169 135059040 1 NSO4H15C17 ABC4D15E17 -60.03 3.78 -9.6 -1.29 0
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403170 135059052 1 FOSiH21C22 ABCD21E22 -69.16 2.85 -8.7 -0.51 0
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403171 135059056 1 OC26H36 AB26C36 -60.08 2.16 -7.96 -0.31 0
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403172 135059057 1 NSiO3H21C22 ABC3D21E22 -23.6 5.87 -9.05 -1.18 0
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403173 135059060 1 NO3H19C20 AB3C19D20 -76.0 3.44 -8.74 -0.49 0
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403174 135059061 1 N3O3C19H21 A3B3C19D21 -54.1 4.64 -9.3 -1.32 0
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403175 135059067 1 Br2N2O5H12C14 A2B2C5D12E14 -86.13 4.29 -9.87 -1.8 0
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403176 135059068 1 BrO3N4C27H27 AB3C4D27E27 23.06 2.27 -8.39 -0.63 0
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403177 135059069 1 BrO2H21C25 AB2C21D25 0.71 2.89 -9.24 -0.75 0
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403178 135059071 1 NOH17C18 ABC17D18 3.47 3.01 -8.49 -0.2 0
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403179 135059073 1 FNO2C12H14 ABC2D12E14 -100.3 0.84 -9.98 -1.24 0
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403180 135059074 1 SC11H16 AB11C16 5.37 0.23 -8.91 0.2 1
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403181 135059075 1 NOC15H24 ABC15D24 -50.29 3.55 0.0 0.0 1
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403182 135059076 1 NOC15H24 ABC15D24 -55.95 3.5 0.0 0.0 0
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403183 135059077 1 BrClSN3O6C23H27 ABCD3E6F23G27 -159.9 3.41 -9.56 -1.94 0
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403184 135059079 1 SiN2C16H30 AB2C16D30 -35.76 4.76 -8.63 0.48 0
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403185 135059081 1 NSSiO3C14H25 ABCD3E14F25 -144.2 3.86 -8.47 0.57 0
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403186 135059082 1 SSiN2O4C13H22 ABC2D4E13F22 -110.28 10.62 -9.96 -1.06 0
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403187 135059084 1 NO3C21H23 AB3C21D23 -84.03 4.62 -8.45 -0.34 0