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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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187305 77556801 1 Cl2N3O4H23C29 A2B3C4D23E29 -66.77 9.74 -9.47 -1.29 0
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187306 77556802 1 N2Cl3O3H25C28 A2B3C3D25E28 -72.78 7.35 -9.03 -1.2 0
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187307 77556803 1 Cl2N2O3H28C29 A2B2C3D28E29 -73.27 7.22 -8.7 -1.22 0
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187308 77557016 1 SO4N6C19H22 AB4C6D19E22 -94.71 1.92 -8.88 -1.25 0
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187309 77557017 1 SN2Cl3O5H23C27 AB2C3D5E23F27 -145.77 10.72 -9.59 -1.28 1
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187310 77557018 1 SN4O4C21H23 AB4C4D21E23 -99.93 4.36 0.0 0.0 1
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187312 77557224 1 FN3O6C15H16 AB3C6D15E16 -271.46 3.8 -8.82 -0.72 0
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187313 77557436 1 S2N3O8C37H43 A2B3C8D37E43 -281.4 4.79 -8.85 -1.12 0
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187314 77557437 1 S2N4O7C36H44 A2B4C7D36E44 -224.06 5.56 -8.76 -1.44 0
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187315 77557468 1 OSN3C16H21 ABC3D16E21 9.67 2.6 -8.56 -0.48 0
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187316 77558234 1 O3N4C26H30 A3B4C26D30 -68.28 3.79 -8.29 -0.38 0
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187317 77558235 1 O3N4C26H30 A3B4C26D30 -59.69 3.41 -8.43 -0.49 0
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187318 77558236 1 FSN4O8C20H21 ABC4D8E20F21 -336.63 4.45 -9.6 -1.58 0
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187319 77558237 1 ClSO2N5C21H26 ABC2D5E21F26 -21.11 3.43 -8.83 -1.11 0
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187320 77558238 1 SO2N5C21H25 AB2C5D21E25 16.43 6.68 -9.02 -1.15 0
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187321 77558266 1 O3C25H38 A3B25C38 -175.35 3.95 -9.7 0.77 0
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187322 77558301 1 INO3C24H32 ABC3D24E32 -73.35 14.73 -7.18 -0.49 0
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187323 77558518 1 FNSiO3C17H26 ABCD3E17F26 -226.48 4.1 -9.05 -0.34 0
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187324 77558597 1 O2N9C21H27 A2B9C21D27 65.55 4.32 -8.7 -1.1 0
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187325 77559370 1 ClN3O6H24C26 AB3C6D24E26 -174.55 8.76 -9.46 -1.55 0
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187326 77559412 1 N2O5C13H18 A2B5C13D18 -199.6 7.09 -9.6 -0.46 0
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187327 77559413 1 ClS2N3O9C27H34 AB2C3D9E27F34 -352.73 4.3 -9.42 -1.06 0
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187328 77559928 1 NSO13C18H33 ABC13D18E33 -595.08 3.59 -8.72 -0.92 0
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187329 77560301 1 FO4N5C23H32 AB4C5D23E32 -188.79 7.84 -9.42 -0.54 0
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187330 77560302 1 FO4N5C23H30 AB4C5D23E30 -184.34 10.38 -9.26 -1.24 0
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187331 77560303 1 NSO6H19C21 ABC6D19E21 -151.0 5.45 -9.93 -0.96 0
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187332 77560324 1 SN4O6C35H44 AB4C6D35E44 -146.72 4.64 -8.09 -1.08 0
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187333 77560523 1 ClFO4N6C21H22 ABC4D6E21F22 -171.74 7.64 -8.87 -0.82 0
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187334 77560567 1 N2O7C27H34 A2B7C27D34 -296.58 6.05 -9.0 -0.04 0
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187335 77560576 1 SN4O7C33H36 AB4C7D33E36 -176.62 6.62 -8.61 -0.81 0
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187336 77560577 2 O3C17H18 A3B17C18 -161.38 3.01 -9.35 0.04 0
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187337 77560578 1 F3N5O6H20C21 A3B5C6D20E21 -318.43 5.2 -9.14 -1.24 0
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187338 77560579 1 O4N5C19H19 A4B5C19D19 -76.22 6.53 -9.14 -0.83 0
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187339 77560653 1 N2O9C33H46 A2B9C33D46 -356.3 4.82 -8.14 0.09 0
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187340 77560865 1 ClINO2C10H11 ABCD2E10F11 -69.07 4.6 -9.47 -0.98 0
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187341 77561058 1 N3O8C34H51 A3B8C34D51 -302.18 7.86 -8.45 0.15 0
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187342 77561064 1 NO5C27H43 AB5C27D43 -248.67 2.58 -9.83 0.35 0
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187343 77561447 1 N2O9C31H44 A2B9C31D44 -344.31 7.9 -8.07 -0.04 0
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187344 77561448 1 SN3F4O4C17H21 AB3C4D4E17F21 -322.3 7.2 -8.66 -1.46 0
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187345 77561711 2 O3C4H5 A3B4C5 -242.76 6.1 -10.08 0.0 0
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187346 77561991 2 NO2C14H17 AB2C14D17 -144.87 2.82 -9.21 0.03 0
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187347 77562102 1 O2N9C22H29 A2B9C22D29 23.74 6.4 -7.95 -0.18 0
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187348 77562103 1 SN5O5C24H33 AB5C5D24E33 -155.45 4.03 -8.9 -0.79 0
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187349 77562442 1 SF3N4O5C35H39 AB3C4D5E35F39 -239.07 6.08 -8.39 -0.89 0
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187350 77562627 1 NSO4C14H19 ABC4D14E19 -161.56 1.6 -8.42 -0.42 0
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187351 77562628 1 FN4O4C30H35 AB4C4D30E35 -141.87 7.73 -9.01 -0.95 1
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187352 77562629 1 FN4O4C30H36 AB4C4D30E36 -117.14 6.18 0.0 0.0 0
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187353 77562630 1 NSO8C19H21 ABC8D19E21 -279.32 3.62 -9.1 -0.58 0
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187354 77562631 1 SN4O5C37H46 AB4C5D37E46 -91.02 5.99 -8.21 -0.93 0
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187355 77562632 1 ClO4N5H28C29 AB4C5D28E29 -65.59 8.03 -8.56 -1.26 0