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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413261 135086208 1 N2O3C14H18 A2B3C14D18 -98.57 2.63 -8.65 -0.52 0
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413262 135086209 1 FN2O3C13H15 AB2C3D13E15 -134.88 3.26 -8.94 -0.74 0
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413263 135086210 1 NSO3H23C25 ABC3D23E25 14.42 4.9 -8.39 -0.6 0
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413264 135086211 1 LiON2C5H7 ABC2D5E7 -23.7 12.03 -7.81 0.86 0
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413265 135086212 1 O11C37H52 A11B37C52 -410.12 4.47 -8.9 -0.51 0
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413266 135086213 1 NOC17H25 ABC17D25 -44.49 3.14 -8.05 0.72 0
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413267 135086214 2 N2C7H8 A2B7C8 77.65 6.16 -8.3 -0.37 0
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413268 135086215 1 ON4C21H22 AB4C21D22 62.44 6.49 -8.25 -0.31 0
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413269 135086216 1 IO2H13C14 AB2C13D14 -7.03 1.99 -8.74 -0.94 0
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413270 135086217 1 O5C8H10 A5B8C10 -207.93 5.5 -10.95 -0.74 0
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413271 135086218 1 N2O2C9H18 A2B2C9D18 -77.9 4.01 -9.37 0.91 0
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413272 135086219 1 OSiC13H30 ABC13D30 -161.81 1.66 -9.57 1.57 0
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413273 135086220 1 OSiC13H20 ABC13D20 -1.54 3.01 -9.43 0.22 0
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413274 135086221 1 OSiC14H26 ABC14D26 -58.73 4.09 -9.29 -0.11 0
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413275 135086222 1 LiSiI2S2C10H21 ABC2D2E10F21 -43.2 7.29 -7.32 -0.73 0
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413276 135086223 1 NOC10H13 ABC10D13 -10.27 3.09 -9.31 -0.32 0
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413277 135086224 1 O2C13H18 A2B13C18 -52.54 0.85 -9.26 0.4 0
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413278 135086225 1 N5O5C6H7 A5B5C6D7 -15.88 9.7 -9.65 -1.88 0
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413279 135086226 1 NO3C13H19 AB3C13D19 -117.03 2.36 -8.67 0.34 0
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413280 135086227 1 OH12C13 AB12C13 43.15 3.03 -9.46 -0.35 0
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413281 135086228 1 ON2C17H34 AB2C17D34 -87.33 4.53 -8.88 1.15 0
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413282 135086229 1 NOC6H11 ABC6D11 45.1 4.95 -9.27 0.92 0
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413283 135086231 1 O4C17H24 A4B17C24 -122.34 3.6 -9.56 0.16 0
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413284 135086232 1 O3C22H26 A3B22C26 -48.86 2.45 -9.28 0.09 0
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413285 135086233 1 ClNSO3H14C18 ABCD3E14F18 -48.79 4.52 -9.44 -0.88 0
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413286 135086234 1 NO2C9H17 AB2C9D17 -63.09 2.52 -9.44 0.55 0
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413287 135086235 1 SN2O3C23H26 AB2C3D23E26 -72.73 5.48 -8.67 -0.58 0
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413288 135086236 1 N2O2H18C19 A2B2C18D19 -2.21 2.55 -8.86 -0.61 0
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413289 135086237 1 SiN2O3C28H38 AB2C3D28E38 -141.01 2.99 -8.07 -0.8 0
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413290 135086238 1 SN2O5C29H30 AB2C5D29E30 -127.31 3.08 -8.32 -0.68 0
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413291 135086239 2 OSiC9H17 ABC9D17 -210.5 3.58 -8.63 0.31 0
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413292 135086240 2 OC9H9 AB9C9 -33.69 1.1 -9.49 0.0 0
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413293 135086241 1 NO2C16H21 AB2C16D21 -61.4 4.5 -9.35 -0.67 0
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413294 135086242 1 NO4C21H31 AB4C21D31 -183.34 2.8 -9.72 -0.3 0
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413295 135086243 1 NO3H11C13 AB3C11D13 -79.87 2.46 -9.29 -1.26 0
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413296 135086244 1 NO3C16H23 AB3C16D23 -147.52 2.78 -9.3 0.34 0
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413297 135086245 1 NO6C19H23 AB6C19D23 -186.92 4.1 -8.24 -0.03 0
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413298 135086246 1 FSO2N3H8C10 ABC2D3E8F10 -46.34 6.58 -8.95 -1.53 0
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413299 135086247 1 SO6C20H22 AB6C20D22 -173.98 5.29 -8.31 -0.8 0
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413300 135086248 1 OSeH14C17 ABC14D17 71.74 4.49 -8.88 -0.81 0
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413301 135086249 1 NSiO3C18H19 ABC3D18E19 -5.7 7.81 -9.84 -1.2 0
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413302 135086250 1 SiO2C19H22 AB2C19D22 -40.72 1.39 -8.78 0.28 0
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413303 135086251 1 SiO2C18H20 AB2C18D20 -32.79 2.48 -8.88 0.2 0
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413304 135086252 1 NSeO2C20H27 ABC2D20E27 -40.49 1.97 -8.51 -0.35 0
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413305 135086253 1 NSeH31C33 ABC31D33 151.0 0.79 -8.59 -0.44 0
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413306 135086254 1 O2C19H20 A2B19C20 -22.9 2.39 -8.91 0.18 0
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413307 135086255 1 OSSiC16H18 ABCD16E18 6.47 2.38 -8.87 -0.01 1
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413308 135086256 1 NH12C15 AB12C15 68.32 1.97 0.0 0.0 1
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413309 135086257 1 NH16C21 AB16C21 90.95 2.34 0.0 0.0 0
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413310 135086258 2 O2C7H8 A2B7C8 -135.34 2.92 -10.14 -0.72 0