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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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299169 117673755 1 PCl2N7O8H54C65 AB2C7D8E54F65 -82.0 11.59 -8.64 -1.27 0
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299170 117673791 1 INO3C20H20 ABC3D20E20 -72.99 4.02 -8.98 -1.38 0
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299171 117673875 1 F2N3O4H21C24 A2B3C4D21E24 -146.76 1.0 -8.48 -0.89 0
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299172 117673884 1 SCl2O5N8C26H26 AB2C5D8E26F26 -47.62 7.47 -8.19 -0.88 0
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299173 117673885 1 Cl2O3N7H21C24 A2B3C7D21E24 19.81 8.42 -8.45 -0.79 0
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299174 117673899 1 SN6O6C27H32 AB6C6D27E32 -145.79 4.11 -8.41 -0.87 0
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299175 117673909 1 N4O4H18C21 A4B4C18D21 -38.33 2.23 -9.05 -1.31 0
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299176 117673916 1 N4O4H22C23 A4B4C22D23 -56.73 4.44 -8.76 -1.2 0
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299177 117673995 1 SO4N5C19H23 AB4C5D19E23 -92.8 3.11 -8.56 -0.77 0
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299178 117674072 1 N4O6C33H40 A4B6C33D40 -192.86 8.78 -8.7 -0.87 0
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299179 117674084 1 SN3O6C29H33 AB3C6D29E33 -197.79 4.75 -8.82 -1.36 0
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299180 117674097 1 SN4O4C18H28 AB4C4D18E28 -154.31 2.64 -8.92 -0.76 0
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299181 117675097 1 O9H16F20C23 A9B16C20D23 -1364.69 4.32 -11.47 -1.02 0
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299182 117675433 1 O13C19H32 A13B19C32 -603.4 5.42 -9.91 0.17 0
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299183 117675851 1 O3N7C25H35 A3B7C25D35 -80.65 1.79 -8.23 -0.84 0
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299184 117675961 4 ON2C8H10 AB2C8D10 -57.42 2.25 -8.49 -0.96 0
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299185 117676387 1 NSCl2O4C7H13 ABC2D4E7F13 -166.37 5.01 -9.98 -1.23 0
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299186 117676619 2 NOC18H35 ABC18D35 -191.63 3.67 -8.43 0.41 0
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299188 117676688 1 ClON2H21C23 ABC2D21E23 23.51 5.87 -8.69 -0.73 0
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299189 117676779 1 BrO3N4C52H67 AB3C4D52E67 -129.96 5.61 -8.5 -2.11 0
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299190 117676812 1 N3C17H27 A3B17C27 20.19 3.14 -8.04 0.52 0
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299191 117676921 1 O3N6C32H36 A3B6C32D36 14.32 7.6 -8.81 -0.82 0
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299192 117677371 1 C5O5H12 A5B5C12 -232.04 1.88 -10.3 1.08 0
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299193 117677402 1 F3N3O4H18C22 A3B3C4D18E22 -243.84 9.33 -9.7 -1.52 0
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299194 117677403 1 SO3N7C22H27 AB3C7D22E27 -57.31 6.22 -8.82 -1.26 0
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299195 117677405 1 FSN5O5C23H26 ABC5D5E23F26 -194.0 6.18 -8.84 -1.14 0
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299196 117677544 2 O3C17H26 A3B17C26 -281.5 8.2 -8.65 -0.33 0
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299197 117677572 1 N3C26H41 A3B26C41 -15.5 1.22 -8.05 0.5 0
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299198 117677878 1 SO4N5C24H29 AB4C5D24E29 -128.55 5.56 -8.56 -1.05 0
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299199 117678229 1 FON4C11H11 ABC4D11E11 8.53 3.17 -8.93 -0.51 0
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299200 117678644 1 O10H42C49 A10B42C49 -283.16 11.89 -9.37 -1.46 0
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299201 117678802 1 F3N3O5C26H30 A3B3C5D26E30 -346.48 1.49 -9.51 -0.96 0
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299202 117679075 1 ClN3O6H16C21 AB3C6D16E21 -90.27 3.95 -9.76 -1.6 0
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299203 117679160 1 BrSN3O3C12H12 ABC3D3E12F12 -49.16 6.84 -9.61 -1.4 0
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299204 117679194 1 OF3N8C20H25 AB3C8D20E25 -127.28 2.93 -8.46 -0.64 0
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299205 117679195 1 O2F5N5H16C17 A2B5C5D16E17 -270.05 4.82 -9.24 -1.16 0
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299206 117679367 1 ClSN3O4C11H12 ABC3D4E11F12 -107.62 8.14 -10.17 -1.54 0
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299207 117679518 1 ON3C10H13 AB3C10D13 -9.83 9.13 -8.79 0.06 0
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299208 117679526 1 N3O3C15H25 A3B3C15D25 -110.47 3.07 -9.2 0.1 0
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299209 117679563 1 O5C9H14 A5B9C14 -181.28 3.28 -10.5 -0.59 0
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299210 117679884 1 ClSO2N4C23H33 ABC2D4E23F33 -120.44 5.47 -8.82 -0.61 -1
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299211 117680084 1 O2N4C8H13 A2B4C8D13 16.87 2.7 0.0 0.0 0
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299212 117680338 1 NC39H41 AB39C41 103.99 3.38 -8.1 -0.34 0
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299213 117680418 1 N4O6C41H44 A4B6C41D44 -157.23 6.64 -8.55 -0.74 0
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299214 117681098 1 N3O4C23H35 A3B4C23D35 -214.89 4.8 -9.8 0.27 0
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299215 117681099 1 N3O4C24H37 A3B4C24D37 -205.12 7.89 -9.5 -0.15 0
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299216 117681106 1 NO2C9H19 AB2C9D19 -120.03 3.64 -9.41 1.84 0
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299217 117681427 2 FO2N4C23H33 AB2C4D23E33 -295.9 6.26 -8.62 -0.67 0
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299218 117681506 1 N3O4C9H19 A3B4C9D19 -160.65 4.25 -9.31 -0.01 0
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299219 117681849 1 OPF2N2C5H5 ABC2D2E5F5 -99.62 3.2 -9.17 -0.77 0
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299220 117682119 1 FN2O2C12H17 AB2C2D12E17 -95.8 3.48 -8.34 0.04 0
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299221 117682122 1 BrN2C9H11 AB2C9D11 34.49 4.8 -9.39 0.09 0
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299222 117682195 1 FN3C15H22 AB3C15D22 -24.2 2.3 -8.14 0.34 0
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299223 117682196 1 N3C14H19 A3B14C19 37.72 1.21 -8.11 0.34 0
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299224 117682202 1 NO3C25H49 AB3C25D49 -223.92 5.0 -9.93 0.61 0
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299225 117682204 1 O2C11H16 A2B11C16 -95.2 2.42 -8.8 0.12 0
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299226 117682222 1 FON2C16H19 ABC2D16E19 -47.87 3.31 -8.26 -0.29 0
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299227 117682239 1 N8O9C64H94 A8B9C64D94 -442.93 5.78 -8.02 0.22 0
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299228 117682240 2 NOH26C31 ABC26D31 117.68 1.15 -7.66 -0.93 0
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299229 117682241 2 NOH30C33 ABC30D33 98.68 1.38 -7.78 -1.1 0
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299230 117682245 1 OF3N4H19C21 AB3C4D19E21 -125.82 8.12 -9.54 -1.3 0
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299231 117682254 1 FN3O5C24H32 AB3C5D24E32 -258.99 4.75 -8.36 -0.37 0
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299232 117682268 2 FNOH23C30 ABCD23E30 40.79 2.01 -7.86 -1.12 0
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299233 117682272 1 O3F4N4C30H34 A3B4C4D30E34 -259.71 10.03 -9.55 -1.39 0
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299234 117682276 1 OSF3N3H20C21 ABC3D3E20F21 -132.52 10.86 -9.06 -1.18 0
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299235 117682280 1 O3F4N4C30H34 A3B4C4D30E34 -259.19 8.93 -9.38 -1.4 0
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299236 117682287 2 NOF3H21C30 ABC3D21E30 -184.88 5.74 -8.26 -1.47 0
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299237 117682292 2 NOH26C35 ABC26D35 193.08 0.82 -7.97 -1.14 0
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299238 117682294 2 NOH22C33 ABC22D33 210.01 1.12 -7.78 -1.0 0
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299239 117682295 2 NOH26C32 ABC26D32 131.13 0.54 -7.59 -0.95 0
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299240 117682305 2 NOH28C40 ABC28D40 255.03 3.18 -7.83 -1.05 0
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299241 117682307 2 NOH32C43 ABC32D43 282.12 7.22 -6.83 -1.5 0
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299242 117682310 2 NOH26C31 ABC26D31 110.26 1.35 -7.77 -1.04 0
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299243 117682311 1 N2O4C13H24 A2B4C13D24 -217.95 1.45 -9.65 1.01 0
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299244 117682312 2 NOH28C32 ABC28D32 93.73 1.48 -7.8 -0.99 0