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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229143 87567052 1 BrNPF2O4C22H27 ABCD2E4F22G27 -307.84 4.8 -9.4 -0.94 0
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229144 87567053 1 BrNPF2O4C22H27 ABCD2E4F22G27 -315.01 2.85 -9.43 -0.98 0
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229145 87567054 1 BrFSO4N6C23H32 ABCD4E6F23G32 -118.38 23.89 -8.85 -1.36 0
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229146 87567058 1 N9H19C33 A9B19C33 367.91 1.1 -7.9 -2.31 0
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229147 87567059 1 SN2O4C25H36 AB2C4D25E36 -154.79 6.46 -8.68 -0.11 0
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229149 87567065 1 ClNO3F4H12C16 ABC3D4E12F16 -277.7 4.0 -9.93 -1.37 0
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229150 87567067 1 ClO2F4N4H21C23 AB2C4D4E21F23 -209.48 4.67 -9.65 -1.21 0
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229151 87567070 1 ClO2F4N4H21C23 AB2C4D4E21F23 -208.45 3.92 -9.72 -0.86 0
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229152 87567071 1 NSiC4O6H15 ABC4D6E15 -403.0 2.98 -9.31 0.88 0
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229153 87567072 1 BrNPF2O4C12H15 ABCD2E4F12G15 -317.13 5.43 -10.06 -1.08 0
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229154 87567074 1 BrNPF2O4C12H15 ABCD2E4F12G15 -321.37 5.57 -10.05 -1.1 0
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229155 87567075 1 NSO4C18H29 ABC4D18E29 -139.73 14.78 -9.2 -0.45 0
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229156 87567076 1 BrMgF3H8C9 ABC3D8E9 -183.51 5.61 -9.48 -0.79 0
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229157 87567077 1 FSO3H15C17 ABC3D15E17 -109.06 3.27 -9.89 -0.99 0
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229158 87567078 1 PSF2N2O6C23H31 ABC2D2E6F23G31 -390.43 5.82 -9.4 -0.19 0
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229159 87567079 1 NSO4C13H19 ABC4D13E19 -158.98 11.12 -9.93 -0.76 0
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229160 87567081 1 PF3O3C8H8 AB3C3D8E8 -311.5 4.48 -9.61 -0.43 0
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229161 87567082 1 ClPSF2N2O7C25H26 ABCD2E2F7G25H26 -382.24 7.88 -9.05 -0.84 0
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229162 87567083 1 O5C12H20 A5B12C20 -256.08 3.42 -10.31 0.33 0
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229163 87567084 1 N3O5H29C30 A3B5C29D30 -59.05 6.78 -9.25 -0.94 0
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229164 87567085 1 N3O5H29C30 A3B5C29D30 -58.85 7.66 -9.09 -0.73 0
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229165 87567086 1 FN2O3C26H29 AB2C3D26E29 -92.69 4.47 -9.49 -1.18 0
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229166 87567087 1 FN2O3C26H29 AB2C3D26E29 -92.69 4.47 -9.49 -1.18 0
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229167 87567088 2 CPO3H4 ABC3D4 -340.07 3.04 -10.27 -0.16 1
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229168 87567092 1 SO2C34H47 AB2C34D47 -72.73 1.63 0.0 0.0 0
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229169 87567099 1 O2H14C19 A2B14C19 259.46 2.51 -8.73 -0.11 -6
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229170 87567100 1 FePC23H37 ABC23D37 61.14 1.34 -7.93 0.75 0
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229171 87567103 1 BrCl2O2H7C9 AB2C2D7E9 -35.24 0.71 -9.27 -0.4 0
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229172 87567113 1 FSN3O3H14C19 ABC3D3E14F19 -42.81 4.44 -9.16 -1.19 0
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229173 87567114 1 N2O4C25H26 A2B4C25D26 -26.62 6.93 -9.09 -1.21 0
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229174 87567115 1 ClN2O3F4H11C15 AB2C3D4E11F15 -263.56 3.54 -9.89 -1.3 0
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229175 87567118 1 FO2N6C22H23 AB2C6D22E23 0.63 9.4 -8.33 -1.31 0
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229176 87567119 1 NPF2O7C23H28 ABC2D7E23F28 -436.91 1.97 -9.66 -0.33 0
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229177 87567120 1 NPF2O7C23H28 ABC2D7E23F28 -438.02 3.28 -9.67 -0.33 0
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229178 87567123 1 NOC17H23 ABC17D23 19.94 3.28 -9.59 -0.01 0
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229179 87567129 1 ClO2S3N4H7C9 AB2C3D4E7F9 79.28 3.9 -8.9 -1.16 0
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229180 87567130 1 ClNOC11H22 ABCD11E22 -74.92 11.98 -8.39 -0.36 0
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229181 87567133 1 Si2N5O6C53H67 A2B5C6D53E67 -178.26 8.27 -7.83 -0.9 0
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229182 87567135 1 SO3N5C33H33 AB3C5D33E33 21.67 7.18 -8.6 -0.91 0
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229183 87567136 2 O4C7H14 A4B7C14 -399.72 8.12 -10.42 -0.14 0
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229184 87567137 1 SF2O3H6C7 AB2C3D6E7 -193.59 3.12 -10.88 -1.26 0
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229185 87567139 2 O3C6H13 A3B6C13 -311.5 7.78 -9.93 0.79 0
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229186 87567141 2 ClNO4H18C20 ABC4D18E20 -158.43 8.41 -8.42 -1.25 0
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229187 87567147 1 NSO5C12H25 ABC5D12E25 -229.56 12.47 -9.97 -0.34 0
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229188 87567148 1 BrPF2O5C14H16 ABC2D5E14F16 -328.3 7.01 -9.24 -0.76 0
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229189 87567149 1 PF2N2O8C32H39 AB2C2D8E32F39 -454.14 3.46 -8.08 -0.37 0
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229190 87567150 1 BrPF2O5C12H14 ABC2D5E12F14 -339.14 3.53 -9.25 -0.8 0
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229191 87567153 1 PF2N2O8C32H39 AB2C2D8E32F39 -460.39 3.67 -8.13 -0.34 0
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229192 87567154 1 NCl2O3H11C18 AB2C3D11E18 -34.8 2.89 -8.89 -2.02 0
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229194 87567158 2 O4C5H10 A4B5C10 -374.26 4.48 -10.75 -0.07 0
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229195 87567160 1 SiO3C11H20 AB3C11D20 -139.41 3.73 -7.64 0.2 0
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229196 87567161 1 SiO3C11H21 AB3C11D21 -152.97 1.43 0.0 0.0 0
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229197 87567162 1 SiO3C11H21 AB3C11D21 -150.49 3.69 0.0 0.0 0
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229198 87567163 1 NSO4C20H33 ABC4D20E33 -175.15 6.4 -9.19 -0.6 0
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229199 87567164 1 ICl2O3N6H19C20 AB2C3D6E19F20 -19.18 2.44 -9.38 -1.26 0
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229200 87567165 1 NSO5C10H19 ABC5D10E19 -225.21 3.09 -9.73 -0.29 0
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229201 87567167 1 NSO5C10H19 ABC5D10E19 -225.35 2.67 -9.66 -0.29 0
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229202 87567169 1 NSO4C16H25 ABC4D16E25 -160.66 9.32 -9.45 -0.35 1
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229203 87567170 1 NSO4C16H24 ABC4D16E24 -141.3 4.64 0.0 0.0 0
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229204 87567171 1 FSO4N5C22H28 ABC4D5E22F28 -133.89 5.46 -9.03 -0.88 0
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229205 87567172 2 O3C8H17 A3B8C17 -330.91 4.84 -9.96 0.93 0
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229206 87567179 1 N7O7C40H77 A7B7C40D77 -429.36 7.52 -9.54 -0.4 0
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229207 87567181 1 F2N2O2C13H16 A2B2C2D13E16 -149.9 2.88 -9.58 -0.04 0
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229208 87567183 1 BrIC5H6 ABC5D6 94.01 6.72 -7.92 -1.77 0
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229209 87567186 1 F2N2O3H20C25 A2B2C3D20E25 -74.14 1.37 -8.68 -1.02 0
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229210 87567187 1 NSO5C14H29 ABC5D14E29 -238.26 11.44 -9.84 -0.75 1
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229211 87567188 1 KSi2C6N6H13 AB2C6D6E13 120.47 11.52 -6.15 -0.83 0
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229212 87567190 1 NTiCl2C18H24 ABC2D18E24 -1.17 6.29 0.0 0.0 0
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229213 87567197 1 NO4C9H15 AB4C9D15 -165.24 5.76 -10.22 -0.38 0
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229214 87567200 1 O7C10H20 A7B10C20 -340.33 5.39 -10.78 -0.11 0
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229215 87567201 1 SN3O3C35H37 AB3C3D35E37 -1.41 2.56 -8.64 0.17 0
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229216 87567202 1 SN3O3C35H37 AB3C3D35E37 -5.72 2.9 -8.65 -0.06 0
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229217 87567204 1 O2F3N5C20H24 A2B3C5D20E24 -157.07 2.77 -8.73 -1.25 0
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229218 87567207 1 N3O5C27H41 A3B5C27D41 -248.81 6.47 -8.86 -0.16 0
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229219 87567208 1 NSO3C10H17 ABC3D10E17 -162.5 0.44 -9.36 0.01 0