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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218202 85089023 1 ClF3O5C20H26 AB3C5D20E26 -383.03 4.31 -9.9 -0.3 0
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218203 85089024 1 ClFN2O5C21H24 ABC2D5E21F24 -256.55 4.06 -9.0 -0.93 0
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218204 85089025 1 ClN2O3C25H27 AB2C3D25E27 -103.73 4.1 -9.15 -0.76 0
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218205 85089026 1 BrSN2O5C17H17 ABC2D5E17F17 -168.76 3.29 -9.06 -0.88 0
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218206 85089027 1 FSeO4C21H24 ABC4D21E24 -163.93 6.08 0.0 0.0 0
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218207 85089028 1 FSN5O6C17H18 ABC5D6E17F18 -199.72 6.32 -9.35 -0.83 0
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218208 85089029 1 F2N3O7C18H31 A2B3C7D18E31 -457.52 6.93 -10.13 -0.2 0
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218209 85089030 1 NO7C24H25 AB7C24D25 -233.08 0.88 -9.98 -0.47 0
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218210 85089031 1 S2N3O7C17H17 A2B3C7D17E17 -202.52 8.89 -10.24 -1.76 0
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218211 85089033 1 S2N3O6C18H21 A2B3C6D18E21 -198.79 1.75 -9.47 -1.0 0
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218212 85089034 1 S2N5O5C17H21 A2B5C5D17E21 -105.43 6.51 -9.32 -0.96 0
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218213 85089035 1 O2F3N3C23H32 A2B3C3D23E32 -241.71 4.28 -8.75 -0.79 0
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218214 85089036 1 SN3O4C23H25 AB3C4D23E25 -107.09 7.13 -9.52 -0.74 0
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218215 85089037 1 NO5C26H33 AB5C26D33 -187.54 3.87 -9.32 0.14 0
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218216 85089038 1 O2N3C28H35 A2B3C28D35 -69.02 5.36 -8.6 0.25 0
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218217 85089039 1 N7C26H33 A7B26C33 109.75 3.54 -8.33 -0.64 0
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218218 85089040 1 SN3O3C24H29 AB3C3D24E29 -73.11 2.58 -9.64 -1.01 0
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218219 85089041 1 NO4C27H37 AB4C27D37 -186.65 3.98 -8.99 -0.33 0
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218220 85089045 1 FIN2O3H14C17 ABC2D3E14F17 -82.16 6.08 -9.61 -1.33 0
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218221 85089046 1 N2O9H16C21 A2B9C16D21 -169.53 3.99 -9.38 -2.33 0
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218222 85089050 2 N2O3C11H12 A2B3C11D12 -150.17 1.35 -9.24 -1.74 0
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218223 85089051 1 SN4O7C18H24 AB4C7D18E24 -227.09 2.71 -9.05 -1.61 0
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218224 85089052 1 N4O5C23H28 A4B5C23D28 -186.4 3.87 -9.03 -0.22 0
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218225 85089055 4 NOC6H8 ABC6D8 -140.3 6.02 -9.27 -0.43 0
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218226 85089056 1 SF2N2O5C19H34 AB2C2D5E19F34 -369.49 3.09 -9.12 -0.12 0
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218227 85089057 1 N2S2O3C23H24 A2B2C3D23E24 -20.88 3.95 -8.49 -0.66 0
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218228 85089058 1 N6C27H32 A6B27C32 90.07 4.48 -8.34 -0.35 0
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218229 85089059 1 SiO5C25H32 AB5C25D32 -238.25 2.99 -9.06 0.03 0
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218230 85089062 1 ON2C30H36 AB2C30D36 27.34 3.46 -7.8 0.39 0
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218231 85089063 1 SiO4C26H36 AB4C26D36 -199.08 2.29 -9.05 0.1 0
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218232 85089064 1 SiO3C27H40 AB3C27D40 -155.94 2.31 -8.88 0.21 0
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218233 85089065 1 NCl3O6C17H20 AB3C6D17E20 -270.79 4.24 -10.38 -1.11 0
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218234 85089067 1 ClLiSO5N6C15H22 ABCD5E6F15G22 -220.58 3.05 -9.05 -0.51 0
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218235 85089068 1 ClOF2N2H23C25 ABC2D2E23F25 -71.61 3.57 -8.9 -0.65 1
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218236 85089070 1 BrFSN2O4H15C17 ABCD2E4F15G17 -160.1 5.35 0.0 0.0 0
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218237 85089072 1 SeO3C24H26 AB3C24D26 -56.25 2.67 -9.1 -0.6 0
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218238 85089073 1 F2O3N5C22H25 A2B3C5D22E25 -174.39 7.91 -9.09 -0.86 0
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218239 85089074 1 OF3N5H22C23 AB3C5D22E23 -89.04 5.22 -8.28 -1.87 0
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218240 85089075 1 NO7C24H27 AB7C24D27 -230.3 3.64 -8.44 -0.22 0
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218241 85089076 1 NO7C24H27 AB7C24D27 -272.12 5.85 -8.97 -0.52 0
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218242 85089077 1 NO6C25H31 AB6C25D31 -136.55 1.43 -9.78 -0.77 0
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218243 85089078 1 O4N5C23H31 A4B5C23D31 -144.01 5.45 -9.1 -0.13 0
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218244 85089079 1 NSF2O4C22H29 ABC2D4E22F29 -254.18 4.45 -8.68 -0.45 0
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218245 85089080 1 NSSiO5C21H35 ABCD5E21F35 -263.49 6.01 -8.4 -0.56 0
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218246 85089083 2 O4C12H13 A4B12C13 -258.78 3.19 -8.8 -1.5 0
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218247 85089085 1 O9C22H34 A9B22C34 -384.51 5.34 -10.09 0.48 0
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218248 85089086 1 O5H26C28 A5B26C28 -102.52 5.45 -8.87 -0.75 0
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218249 85089087 1 N2O4H26C27 A2B4C26D27 -67.03 3.24 -9.2 -0.5 0
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218250 85089089 1 SN2O4C24H30 AB2C4D24E30 -103.1 3.24 -9.08 -0.66 0
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218251 85089090 1 S3O7C17H30 A3B7C17D30 -335.51 4.76 -8.65 -0.04 0
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218252 85089091 1 O3C29H46 A3B29C46 -193.3 6.31 -9.8 -0.07 0
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218253 85089093 1 Si2O4C23H46 A2B4C23D46 -326.66 2.3 -8.89 0.38 0
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218254 85089094 1 ClN2O6C21H31 AB2C6D21E31 -227.23 1.72 -8.22 -1.04 0
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218255 85089095 1 ClSN2O2C24H27 ABC2D2E24F27 -33.42 1.91 -8.65 -0.65 0
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218256 85089096 1 N3O10C18H25 A3B10C18D25 -374.05 6.11 -10.07 -1.03 0
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218257 85089097 1 O6N7C19H21 A6B7C19D21 -74.81 1.64 -9.23 -1.86 0
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218258 85089098 1 NO8C23H25 AB8C23D25 -306.75 2.84 -10.05 -0.87 0
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218259 85089099 1 NO5H25C27 AB5C25D27 -123.46 1.28 -8.9 -0.5 0
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218260 85089100 1 NO5H25C27 AB5C25D27 -49.89 4.37 -9.07 -0.8 0
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218261 85089101 1 SO2N5H21C24 AB2C5D21E24 58.04 5.2 -9.02 -1.62 0
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218262 85089102 1 NO4C28H29 AB4C28D29 -96.94 6.16 -8.98 -0.62 0
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218263 85089103 1 S2N3O4C21H21 A2B3C4D21E21 -75.74 9.41 -8.45 -1.32 0
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218264 85089104 1 NSO5C24H29 ABC5D24E29 -153.91 1.37 -8.58 -0.86 0
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218265 85089105 1 NO5C26H37 AB5C26D37 -151.86 3.99 -9.21 -1.58 0
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218266 85089106 1 NO2C29H49 AB2C29D49 -156.42 5.39 -9.04 0.97 0
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218268 85089108 1 N2O4F6H10C19 A2B4C6D10E19 -393.77 6.89 -9.83 -1.99 0
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218269 85089109 1 BrNO6C19H26 ABC6D19E26 -154.21 4.3 -9.49 -0.69 0
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218270 85089110 2 NNaSO4H5C7 ABCD4E5F7 -309.68 13.99 -9.36 -1.4 0
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218271 85089111 2 NSO4H6C7 ABC4D6E7 -192.1 8.19 -9.17 -1.8 0
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218272 85089112 1 IN2C21H37 AB2C21D37 34.42 46.62 -4.85 -3.58 0
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218273 85089114 4 O2C6H7 A2B6C7 -280.67 2.62 -8.4 -0.35 0
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218274 85089116 1 N2O4C27H28 A2B4C27D28 -104.79 4.38 -8.92 -0.38 0
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218275 85089117 1 N4O5C23H32 A4B5C23D32 -173.44 6.4 -9.27 -1.49 0
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218276 85089118 1 ON4H28C29 AB4C28D29 76.56 4.67 -8.74 -0.7 0
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218277 85089119 2 O3C13H18 A3B13C18 -222.85 3.95 -8.58 0.36 0