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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36250 7982473 1 ClFSO2N4H14C17 ABCD2E4F14G17 -37.51 6.89 -8.76 -1.18 0
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36251 7982476 1 ClSO2N4C20H21 ABC2D4E20F21 1.08 9.32 -8.69 -1.07 0
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36252 7982488 1 ClSO2N4C19H19 ABC2D4E19F19 -1.46 9.74 -8.74 -1.2 0
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36253 7982489 1 SCl2O2N4H14C17 AB2C2D4E14F17 -1.83 9.76 -8.77 -1.24 0
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36254 7982490 1 ClSO3N4H17C19 ABC3D4E17F19 -33.56 7.77 -8.98 -1.18 0
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36255 7982531 1 N2O4H24C25 A2B4C24D25 -112.06 6.27 -8.88 -0.67 0
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36256 7982532 3 NO2C7H7 AB2C7D7 -176.98 4.81 -8.87 -0.82 0
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36257 7982574 1 N3O4H19C24 A3B4C19D24 -71.11 2.15 -9.28 -1.03 0
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36258 7982719 1 SN2O4C22H34 AB2C4D22E34 -196.04 5.12 -8.48 -0.33 0
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36259 7982802 1 ClSN3O6C15H18 ABC3D6E15F18 -165.76 4.0 -8.74 -2.08 0
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36260 7982848 1 SN2O4C19H28 AB2C4D19E28 -175.54 6.21 -8.49 -0.32 0
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36261 7982850 1 SN2O4C18H26 AB2C4D18E26 -169.99 7.9 -8.42 -0.12 0
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36262 7982851 1 SN2O4C22H32 AB2C4D22E32 -190.61 3.1 -8.8 -0.48 0
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36263 7983099 1 NO6C20H23 AB6C20D23 -228.61 9.02 -9.24 -1.05 0
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36264 7983219 1 O7H20C23 A7B20C23 -228.82 4.44 -9.1 -0.95 0
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36265 7983622 2 NO2C8H10 AB2C8D10 -123.7 7.92 -9.13 -0.24 0
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36266 7983731 1 ClN2O5H19C20 AB2C5D19E20 -141.66 7.08 -8.79 -0.79 0
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36267 7983970 1 ClSN2O3H15C20 ABC2D3E15F20 -18.8 5.13 -9.43 -1.33 0
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36268 7983971 1 ClSN2O3H15C20 ABC2D3E15F20 -17.25 6.32 -9.43 -1.32 0
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36269 7983973 1 SN3O4H17C20 AB3C4D17E20 -51.63 3.25 -9.53 -1.05 0
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36270 7985314 1 F2N2O4H12C17 A2B2C4D12E17 -186.95 2.41 -9.46 -1.09 0
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36271 7985315 1 NF2O5H17C22 AB2C5D17E22 -229.39 5.6 -8.97 -1.1 0
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36272 7985318 1 NF2O4H17C19 AB2C4D17E19 -220.34 5.82 -8.84 -1.0 0
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36273 7985319 1 F2N2O5C20H20 A2B2C5D20E20 -279.58 3.63 -8.97 -1.06 0
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36274 7985321 1 NF2O6H17C19 AB2C6D17E19 -306.86 3.82 -10.05 -1.39 0
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36275 7985348 1 NSCl2O3C13H15 ABC2D3E13F15 -136.11 1.98 -9.41 -1.11 0
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36276 8000187 1 FSN2O2H17C19 ABC2D2E17F19 -67.54 2.25 -9.13 -1.18 1
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36277 8000193 1 NC18H30 AB18C30 6.77 4.29 0.0 0.0 0
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36278 8000461 1 ClNO2F3H11C15 ABC2D3E11F15 -208.91 6.88 -9.27 -0.94 0
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36279 8000479 1 SN3O4H19C20 AB3C4D19E20 -27.67 8.79 -8.8 -1.48 0
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36280 8000490 1 NOC17H25 ABC17D25 -64.12 4.27 -9.44 -0.02 0
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36281 8000492 1 SN2O3C21H22 AB2C3D21E22 -72.74 4.36 -8.94 -0.86 1
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36282 8000509 1 ClON2C15H18 ABC2D15E18 -21.29 2.7 0.0 0.0 0
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36283 8000705 1 NC20H23 AB20C23 30.92 1.15 -8.77 -0.34 -1
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36284 8000711 1 F3N7H13C17 A3B7C13D17 52.45 3.8 0.0 0.0 0
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36285 8001014 1 ClSO2N3C17H18 ABC2D3E17F18 -24.34 8.08 -8.7 -0.57 0
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36286 8001020 1 FSO2N3C18H20 ABC2D3E18F20 -69.14 6.97 -8.75 -0.68 0
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36287 8001025 1 OS2N3C19H23 AB2C3D19E23 6.78 10.46 -8.61 -0.77 0
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36288 8001081 1 OSN4C20H20 ABC4D20E20 58.56 2.41 -8.78 -0.86 0
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36289 8001085 1 ClS2N4C16H17 AB2C4D16E17 70.4 2.61 -8.91 -0.89 0
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36290 8001102 2 SN2C6H8 AB2C6D8 70.63 2.53 -8.84 -0.45 0
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36291 8001113 1 ClS2N4C16H17 AB2C4D16E17 69.35 3.2 -8.95 -0.89 0
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36292 8001120 2 SN2C8H9 AB2C8D9 78.23 7.99 -8.48 -0.76 0
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36293 8001221 1 N4O4C21H26 A4B4C21D26 -148.74 5.46 -9.09 -0.49 1
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36294 8001223 1 F3N3O3C21H23 A3B3C3D21E23 -226.53 6.31 0.0 0.0 0
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36295 8001230 1 NSO5H19C21 ABC5D19E21 -129.37 3.32 -8.75 -0.97 0
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36296 8001239 1 SO2N4H20C21 AB2C4D20E21 -10.18 7.42 -9.02 -0.93 0
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36297 8001244 1 ClN2O3H19C22 AB2C3D19E22 -69.44 2.97 -8.64 -0.65 0
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36298 8001254 1 SN2O5C21H24 AB2C5D21E24 -158.34 1.99 -8.53 -1.23 0
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36299 8001261 1 SN3O5C17H17 AB3C5D17E17 -48.37 1.74 -8.37 -1.01 0
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36300 8001351 1 SN2O5C12H16 AB2C5D12E16 -173.35 5.26 -9.66 -0.99 0
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36301 8001404 1 S2N3O3C19H23 A2B3C3D19E23 -59.26 6.08 -9.04 -1.01 0
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36302 8001408 1 N4O4C23H24 A4B4C23D24 -78.34 5.61 -8.77 -1.01 0
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36303 8001422 1 OSN4H14C18 ABC4D14E18 67.59 4.11 -9.37 -1.34 1
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36304 8001506 1 N3O4C23H26 A3B4C23D26 -90.2 3.51 0.0 0.0 0
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36305 8001508 1 ClO3H13C17 AB3C13D17 -63.21 2.23 -9.93 -1.15 0
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36306 8001510 1 N3O4C23H25 A3B4C23D25 -113.02 1.3 -9.14 -0.28 0
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36307 8001530 1 FOSN3H18C21 ABCD3E18F21 12.25 4.37 -8.66 -0.71 0
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36308 8001534 1 NO2C15H19 AB2C15D19 -72.08 4.69 -9.06 -0.4 0
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36309 8001539 1 ON5C12H15 AB5C12D15 58.8 6.98 -9.4 -0.68 0
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36310 8001540 1 ON5C12H15 AB5C12D15 60.1 8.15 -9.38 -0.72 0
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36311 8001555 1 NSO4C15H15 ABC4D15E15 -93.37 2.2 -8.99 -0.54 1
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36312 8001559 1 ClSN2C18H18 ABC2D18E18 93.97 3.56 0.0 0.0 0
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36313 8001566 1 FN2O5C22H25 AB2C5D22E25 -225.75 6.25 -8.94 -0.74 0
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36314 8001568 1 OS3N5C16H17 AB3C5D16E17 82.25 6.3 -8.9 -1.44 0
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36315 8001597 1 N2O5H16C19 A2B5C16D19 -151.23 1.51 -9.52 -0.98 0
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36316 8001599 1 N2O5H16C19 A2B5C16D19 -151.38 1.69 -9.55 -1.03 -1
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36317 8001600 1 ClN2O4H14C18 AB2C4D14E18 -61.03 16.71 0.0 0.0 0
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36318 8001601 1 ClN2O4H15C18 AB2C4D15E18 -126.03 5.32 -9.41 -0.86 0
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36319 8001603 1 ClN2O4H15C18 AB2C4D15E18 -126.29 4.83 -9.43 -0.86 0
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36320 8001612 1 ClNO3H14C21 ABC3D14E21 -32.22 3.38 -8.87 -1.69 0
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36321 8001619 1 FN3O4C19H20 AB3C4D19E20 -123.03 3.09 -9.18 -0.55 0
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36322 8001623 1 N2O5C18H22 A2B5C18D22 -181.78 0.82 -9.19 -0.86 0
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36323 8001637 1 N2F3O4H15C17 A2B3C4D15E17 -277.55 3.32 -8.54 -1.24 1
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36324 8001658 1 NCl2O2C12H18 AB2C2D12E18 -79.05 10.85 0.0 0.0 0
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36325 8001673 1 FOSN2H15C16 ABCD2E15F16 -13.19 3.82 -8.42 -0.52 0
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36326 8001675 1 ON2S2C12H14 AB2C2D12E14 -5.21 1.77 -9.02 -1.12 0
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36327 8001687 1 BrOSN4H13C16 ABCD4E13F16 103.81 4.05 -9.1 -1.1 0
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36328 8001721 1 NO5C15H15 AB5C15D15 -116.0 2.24 -8.86 -1.46 0
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36329 8001744 1 FSN3O3H18C20 ABC3D3E18F20 -101.1 4.53 -8.33 -0.61 0
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36330 8001769 1 OSN3H17C22 ABC3D17E22 89.37 3.91 -8.76 -0.71 1
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36331 8001770 1 O3N4C20H29 A3B4C20D29 -107.6 7.18 0.0 0.0 0
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36332 8001801 1 OSN4H16C18 ABC4D16E18 61.63 5.0 -8.56 -0.81 1
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36333 8001811 1 ClNO3C13H19 ABC3D13E19 -72.57 6.46 0.0 0.0 0
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36334 8001818 1 SN2O5C21H24 AB2C5D21E24 -152.49 8.37 -8.68 -0.56 0
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36335 8001822 2 N2O3H9C10 A2B3C9D10 -115.97 7.79 -9.29 -1.42 0
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36336 8001841 1 SN3O3C20H27 AB3C3D20E27 -65.32 8.7 -8.92 -0.51 0
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36337 8001847 1 OF3N4H17C21 AB3C4D17E21 -105.77 6.8 -9.09 -1.08 0
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36338 8001854 1 SN2O3C18H18 AB2C3D18E18 -45.59 1.98 -8.35 -0.6 0
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36339 8001860 1 N4O4H16C21 A4B4C16D21 -38.09 5.92 -8.92 -0.86 0
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36340 8001888 1 N2O2F3H15C22 A2B2C3D15E22 -153.73 6.24 -9.11 -0.95 0
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36341 8001928 1 ClFN2O3H16C20 ABC2D3E16F20 -60.56 5.85 -8.94 -1.58 0
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36342 8001951 1 O3N4H22C23 A3B4C22D23 -7.15 5.21 -9.25 -0.9 0
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36343 8001967 1 SN3O5C18H21 AB3C5D18E21 -94.95 9.19 -9.29 -1.35 0
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36344 8001982 1 FSN2O4C16H17 ABC2D4E16F17 -172.64 7.82 -8.77 -0.89 0
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36345 8001999 1 ClN2O2H19C21 AB2C2D19E21 23.57 1.98 -8.39 -0.47 0
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36346 8002003 1 SF2N2O4H14C18 AB2C2D4E14F18 -173.41 3.97 -8.9 -1.24 0
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36347 8002023 1 NSO3H17C20 ABC3D17E20 -60.78 5.34 -8.94 -1.28 0
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36348 8002033 1 ClSN3O4C16H16 ABC3D4E16F16 -53.32 5.83 -9.54 -1.52 0
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36349 8002048 1 SN3O3C16H19 AB3C3D16E19 -82.5 7.06 -8.69 -1.06 0