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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312257 126603915 4 OC6H10 AB6C10 -261.76 3.92 -10.34 0.76 0
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312258 126603923 2 NO2C7H14 AB2C7D14 -221.21 1.31 -9.36 0.66 1
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312259 126603926 1 N2I4O4H31C35 A2B4C4D31E35 45.15 5.78 0.0 0.0 0
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312260 126603927 1 O2C11H18 A2B11C18 -118.4 4.5 -10.65 0.73 0
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312261 126603946 1 N2F3O5H23C34 A2B3C5D23E34 -206.87 6.78 -8.68 -0.94 0
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312262 126603947 1 NO2C8H17 AB2C8D17 -119.72 2.65 -9.49 0.78 0
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312263 126603955 1 O3C23H36 A3B23C36 -186.3 2.77 -8.29 0.49 0
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312264 126603956 1 NO4C13H25 AB4C13D25 -220.22 4.07 -9.85 0.53 1
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312265 126603959 1 N2S2I6O10H27C31 A2B2C6D10E27F31 -206.63 6.47 0.0 0.0 1
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312266 126603962 1 S2N3I6O8C50H52 A2B3C6D8E50F52 -35.69 8.46 0.0 0.0 0
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312267 126603965 1 I2N2C7H8 A2B2C7D8 65.51 1.68 -8.9 -1.23 0
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312268 126603970 2 O5C6H13 A5B6C13 -493.45 0.07 -10.47 0.37 0
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312269 126603971 1 O2N6H26C29 A2B6C26D29 188.96 1.16 -8.94 -0.79 0
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312270 126604012 1 O2N3F4C36H41 A2B3C4D36E41 -267.3 4.41 -8.75 -0.5 0
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312271 126604013 2 OF2N2C18H20 AB2C2D18E20 -249.69 1.79 -7.98 -0.48 0
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312272 126604015 5 OC5H8 AB5C8 -273.13 5.28 -9.64 -0.73 0
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312273 126604036 1 FC28H33 AB28C33 -38.3 0.92 -8.8 0.14 0
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312274 126604045 1 N2O2F3H27C29 A2B2C3D27E29 -187.35 4.73 -8.48 -0.97 0
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312275 126604046 1 N2O3C32H38 A2B3C32D38 -87.7 2.68 -8.65 -0.14 0
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312276 126604047 1 OPSC12H27 ABCD12E27 -104.79 2.46 -8.5 -0.05 0
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312277 126604050 1 FN2O5C27H33 AB2C5D27E33 -258.3 4.79 -8.94 -0.22 0
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312278 126604059 1 FN2O3C24H29 AB2C3D24E29 -155.56 3.32 -8.63 -0.51 0
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312279 126604061 1 FO3N6C22H25 AB3C6D22E25 -69.65 10.53 -8.46 -1.24 0
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312280 126604069 1 O4F5N6C70H75 A4B5C6D70E75 -342.65 5.74 -7.92 -0.44 0
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312281 126604093 1 N6O11C33H42 A6B11C33D42 -393.96 3.57 -8.91 -1.03 0
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312282 126604095 1 IC4O4H9 AB4C4D9 -179.12 1.5 -9.61 -1.32 0
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312283 126604116 1 O2N5C18H25 A2B5C18D25 -19.63 2.94 -8.53 -0.27 0
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312284 126604120 1 O2C31H32 A2B31C32 -8.14 1.92 -8.63 -0.14 0
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312285 126604123 2 NOF2C11H11 ABC2D11E11 -271.42 9.97 -9.1 -0.59 0
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312286 126604131 1 O5N6C25H36 A5B6C25D36 -108.32 5.39 -8.87 -1.02 0
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312287 126604132 1 N5O5C20H29 A5B5C20D29 -87.5 4.27 -9.27 -0.92 0
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312288 126604133 1 C9H9F11 A9B9C11 -577.65 4.01 -12.66 0.52 0
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312289 126604143 2 N2O3H19C24 A2B3C19D24 -2.67 16.72 -8.81 -1.48 0
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312290 126604147 1 IOSC14H23 ABCD14E23 -35.12 3.28 -8.85 -2.22 0
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312291 126604151 1 NOC11H11 ABC11D11 38.77 1.76 -9.25 -0.33 0
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312292 126604152 1 NO4H15C16 AB4C15D16 -83.47 12.86 -9.08 -1.41 0
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312293 126604153 1 O2H32C33 A2B32C33 -4.49 1.94 -8.6 -0.62 1
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312294 126604155 1 PN2S2O3C10H22 AB2C2D3E10F22 -175.33 4.38 0.0 0.0 0
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312295 126604156 1 N2O2C3H8 A2B2C3D8 -55.7 3.75 -9.69 1.12 0
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312296 126604157 1 N2O2C13H20 A2B2C13D20 -70.29 2.51 -8.26 0.16 0
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312297 126604158 1 IOSC7H7 ABCD7E7 -3.32 2.01 -9.11 -2.42 0
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312298 126604161 1 N2O2H16C17 A2B2C16D17 38.9 9.06 -8.77 -1.36 0
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312299 126604162 1 N2C23H50 A2B23C50 -84.96 1.88 -8.32 2.78 0
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312300 126604166 2 N2O2H16C19 A2B2C16D19 19.74 16.39 -8.68 -1.4 0
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312301 126604169 1 BrClO3C20H22 ABC3D20E22 -112.31 2.19 -8.94 -0.41 0
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312302 126604171 1 BrClO4C19H20 ABC4D19E20 -144.15 2.12 -8.82 -0.3 0
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312303 126604179 2 FSH3O3C5 ABC3D3E5 -286.37 2.57 -9.21 -1.47 1
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312304 126604192 1 N2O6C12H27 A2B6C12D27 -260.54 3.09 0.0 0.0 0
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312305 126604197 1 F2S2O9C19H22 A2B2C9D19E22 -449.09 6.11 -9.26 -1.32 0
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312306 126604219 2 OC14H16 AB14C16 -31.16 2.1 -8.67 -0.04 0
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312307 126604223 1 NCl2O4H21C25 AB2C4D21E25 -92.37 8.02 -8.95 -0.75 0
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312308 126604224 2 NOC8H8 ABC8D8 32.57 9.52 -8.67 -1.31 0
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312309 126604230 1 NO4H15C17 AB4C15D17 -74.76 12.46 -9.15 -1.48 0
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312310 126604241 1 ClO4C21H25 AB4C21D25 -161.36 2.52 -8.51 -0.18 0
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312311 126604242 1 ClFO3C20H22 ABC3D20E22 -163.75 3.02 -8.64 -0.5 0
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312312 126604244 1 ClF3O3C20H20 AB3C3D20E20 -272.0 3.92 -8.65 -0.86 0
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312313 126604250 1 OC11H18 AB11C18 -64.93 1.89 -9.19 1.35 0
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312314 126604252 1 NSF3O5C24H30 ABC3D5E24F30 -368.32 6.87 -9.62 -1.39 0
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312315 126604254 3 NC4H9 AB4C9 -21.31 2.66 -8.53 2.78 0
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312316 126604258 1 O3N6C29H40 A3B6C29D40 -67.34 7.65 -8.34 -0.64 0
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312317 126604259 2 O2N3C15H20 A2B3C15D20 -95.49 5.92 -8.42 -0.63 0
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312318 126604261 1 N2O6C29H44 A2B6C29D44 -323.6 0.67 -8.57 0.35 0
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312319 126604264 1 NO5C27H29 AB5C27D29 -137.57 5.71 -8.63 -0.36 0
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312320 126604266 1 O3N6C31H42 A3B6C31D42 -66.82 8.32 -8.31 -0.6 0
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312321 126604268 1 NC28H33 AB28C33 47.01 0.63 -7.81 0.02 0
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312322 126604284 1 NO3C29H43 AB3C29D43 -153.38 3.71 -8.23 -0.31 0
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312323 126604290 1 NC16H31 AB16C31 -47.63 1.24 -8.62 3.13 0
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312324 126604298 1 NC18H35 AB18C35 -59.8 1.42 -8.55 3.16 0
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312325 126604300 1 NC31H39 AB31C39 32.04 0.54 -7.81 0.0 0
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312326 126604305 1 FOP2C5H11 ABC2D5E11 -107.12 2.24 -9.7 0.14 0
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312327 126604311 2 FC9H10 AB9C10 -80.52 0.66 -8.98 -0.3 0
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312328 126604314 1 Cl2O3N7C33H35 A2B3C7D33E35 6.62 2.6 -9.24 -1.08 0
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312329 126604316 1 FO2N7H26C27 AB2C7D26E27 14.14 4.01 -8.97 -0.64 0
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312330 126604317 2 ON3H13C14 AB3C13D14 63.25 8.3 -8.52 -0.42 0
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312331 126604319 1 FO2N7H22C26 AB2C7D22E26 48.24 8.19 -8.89 -0.71 0