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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47270 10531036 1 OBr2N7H17C23 AB2C7D17E23 100.79 7.1 -8.65 -0.82 0
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47271 10531037 1 BrN2O6H27C28 AB2C6D27E28 -131.7 4.38 -8.79 -0.54 0
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47272 10531040 1 N5O9C27H29 A5B9C27D29 -313.58 4.75 -10.04 -1.18 0
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47273 10531042 1 SN3O6H25C31 AB3C6D25E31 -126.09 1.91 -9.31 -0.91 0
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47274 10531045 1 NO8C32H41 AB8C32D41 -263.92 5.75 -10.19 -1.79 0
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47275 10531048 1 N5O5C31H45 A5B5C31D45 -127.98 4.75 -8.72 -0.24 0
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47276 10531057 2 Cl2O2N4H5C10 A2B2C4D5E10 -18.54 2.73 -9.51 -1.61 0
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47277 10531063 1 N4O8C29H36 A4B8C29D36 -305.15 1.81 -9.04 -1.06 0
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47278 10531073 1 O5C36H56 A5B36C56 -272.11 4.15 -9.21 -0.12 0
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47279 10531082 1 NO6H27C36 AB6C27D36 -32.92 6.57 -8.99 -1.69 0
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47281 10531107 1 N2O5C35H42 A2B5C35D42 -135.19 5.12 -8.62 -0.65 0
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47282 10531109 2 N2O2C17H21 A2B2C17D21 -129.89 6.99 -9.17 -0.4 0
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47283 10531128 1 ISN3O5C22H26 ABC3D5E22F26 -86.32 4.74 -9.6 -0.8 0
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47284 10531135 1 S2F3N3O11C17H28 A2B3C3D11E17F28 -673.83 10.84 -9.95 -1.16 0
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47285 10531149 1 ClNO9C28H42 ABC9D28E42 -408.86 4.64 -8.64 -0.3 0
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47286 10531175 1 BO6N7C28H32 AB6C7D28E32 -249.75 7.67 -8.42 -0.53 0
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47287 10531194 1 SN2O10C27H30 AB2C10D27E30 -355.08 6.85 -8.75 -1.19 0
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47288 10531244 2 N2O4C15H16 A2B4C15D16 -267.13 4.63 -9.22 -0.84 0
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47289 10531253 1 ClO4F12C19H21 AB4C12D19E21 -816.88 3.59 -10.94 -1.0 0
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47290 10531254 1 SiO4C36H52 AB4C36D52 -220.36 4.55 -9.05 0.09 0
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47291 10531267 1 NO6C35H47 AB6C35D47 -254.97 5.85 -9.03 -0.94 0
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47292 10531275 2 O4C17H21 A4B17C21 -281.38 2.83 -9.57 -0.16 0
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47293 10531276 1 N2O9C30H46 A2B9C30D46 -461.69 3.79 -9.75 -0.17 0
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47294 10531280 1 Br3O4C21H23 A3B4C21D23 -168.86 2.52 -9.29 -1.2 0
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47295 10531287 1 N3O8C31H37 A3B8C31D37 -179.24 4.97 -8.1 -0.04 0
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47296 10531288 1 N3O6H33C34 A3B6C33D34 -160.01 6.16 -8.57 -0.26 0
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47297 10531293 1 N5O5C32H45 A5B5C32D45 -202.08 3.48 -8.26 -0.36 0
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47298 10531311 1 SN2O4C35H36 AB2C4D35E36 -81.76 4.3 -8.65 -0.54 0
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47299 10531326 2 NOH12C13 ABC12D13 19.19 1.18 -9.47 -0.75 0
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47300 10531327 1 NO4C36H71 AB4C36D71 -329.32 3.9 -9.77 0.24 0
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47301 10531331 1 O15C26H30 A15B26C30 -601.21 5.92 -9.02 -0.5 0
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47302 10531332 1 N4O11H26C27 A4B11C26D27 -183.32 15.19 -9.9 -2.13 0
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47303 10531343 1 N4O8C29H50 A4B8C29D50 -419.03 7.05 -9.23 -0.21 0
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47304 10531344 1 N2O5C36H42 A2B5C36D42 -169.95 4.17 -9.28 -0.55 0
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47305 10531345 1 SN2O4C35H38 AB2C4D35E38 -70.12 5.24 -9.04 -0.36 0
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47306 10531366 1 F3N4O6H27C29 A3B4C6D27E29 -337.53 4.94 -8.78 -1.38 0
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47307 10531368 1 SN2O10C28H28 AB2C10D28E28 -361.3 8.09 -9.39 -1.42 0
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47309 10531421 1 BrON2H9F10C22 ABC2D9E10F22 -391.76 2.07 -9.29 -1.45 0
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47310 10531423 1 FN5O12C22H42 AB5C12D22E42 -600.09 1.65 -9.54 0.29 0
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47311 10531434 1 ClSO2N5C32H34 ABC2D5E32F34 -3.47 5.51 -8.41 -0.45 0
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47312 10531439 1 Cl2N3O7C27H39 A2B3C7D27E39 -320.13 10.21 -8.58 -0.47 0
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47313 10531448 2 O2N3H16C17 A2B3C16D17 -18.36 5.96 -8.94 -0.7 0
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47314 10531453 1 SN2O5C33H46 AB2C5D33E46 -239.29 2.13 -8.78 -0.44 0
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47315 10531461 1 INO2C32H32 ABC2D32E32 18.92 3.46 -8.66 -0.6 0
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47316 10531483 2 OSiS2C14H19 ABC2D14E19 -76.83 4.27 -8.49 -1.63 0
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47317 10531499 1 ISN4O5C23H23 ABC4D5E23F23 -121.76 6.0 -8.99 -1.37 0
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47318 10531509 2 O2N3C17H18 A2B3C17D18 2.66 3.2 -8.52 -0.65 0
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47319 10531520 1 PNa2S2F3N5O7C16H21 AB2C2D3E5F7G16H21 -593.48 9.79 -8.21 -0.83 0
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47320 10531526 1 SH2O3C11F20 AB2C3D11E20 -1100.67 1.34 -12.04 -2.12 0
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47321 10531528 1 N6O7C30H38 A6B7C30D38 -254.92 6.26 -8.94 0.05 0
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47322 10531534 2 O3C19H21 A3B19C21 -171.98 2.27 -9.24 0.3 0
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47323 10531549 1 N5O5C34H37 A5B5C34D37 -121.62 1.1 -8.21 -1.16 0
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47324 10531559 1 N2P2O12C23H38 A2B2C12D23E38 -672.47 8.54 -9.47 -0.77 0
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47325 10531574 1 SN2O4C35H52 AB2C4D35E52 -199.61 5.74 -8.86 -0.09 1
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47326 10531578 1 N4O5C32H41 A4B5C32D41 -153.11 7.84 0.0 0.0 0
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47327 10531583 1 F3N5O6C28H38 A3B5C6D28E38 -420.43 2.92 -9.48 -1.4 0
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47329 10531618 1 NO11C31H37 AB11C31D37 -397.34 7.84 -8.53 -0.39 0
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47330 10531620 1 MnO2N3C36H40 AB2C3D36E40 119.53 7.4 -6.59 -0.64 0
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47331 10531634 1 F2N4O5C32H42 A2B4C5D32E42 -295.08 6.38 -8.97 -0.31 0
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47332 10531645 1 SO5C36H56 AB5C36D56 -218.9 5.4 -10.01 -0.38 0
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47333 10531647 1 SSiO7C31H56 ABC7D31E56 -393.98 2.19 -8.9 0.14 0
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47334 10531652 1 INO5C29H32 ABC5D29E32 -134.85 3.82 -9.41 -1.18 0
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47335 10531657 1 SN3O9C29H35 AB3C9D29E35 -337.36 1.91 -8.62 -0.31 0
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47336 10531658 1 ClSnO3N6C24H27 ABC3D6E24F27 13.83 8.25 -8.43 -0.58 0
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47337 10531663 1 F3N3O3C34H46 A3B3C3D34E46 -275.92 6.66 -8.93 -0.82 0
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47338 10531664 1 SO4N5C33H39 AB4C5D33E39 -111.09 8.31 -8.68 -1.41 0
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47339 10531666 1 ClSO2N5C33H36 ABC2D5E33F36 -3.63 8.17 -8.26 -0.1 0
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47340 10531668 1 Cl2N3O5C31H37 A2B3C5D31E37 -214.19 7.89 -9.2 -0.92 0
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47341 10531671 1 S2O7N10C22H22 A2B7C10D22E22 -62.25 10.02 -8.51 -1.61 1
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47342 10531672 1 S2O7N10C22H23 A2B7C10D22E23 -83.62 3.81 0.0 0.0 0
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47343 10531674 1 O9C35H38 A9B35C38 -252.66 1.26 -8.41 -0.21 0
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47344 10531686 1 NO3Br4C17H17 AB3C4D17E17 -83.63 6.67 -8.79 -1.02 0
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47346 10531706 1 NSiO4C36H65 ABC4D36E65 -223.92 2.89 -8.53 -0.06 0
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47347 10531709 1 ClN5O5C31H46 AB5C5D31E46 -259.22 6.05 -8.74 -0.36 0
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47349 10531727 1 S2N4O10C23H48 A2B4C10D23E48 -497.21 4.72 -8.6 -0.28 0