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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147271 53786926 2 O2C13H17 A2B13C17 -135.98 7.6 -8.23 -0.52 0
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147272 53786927 1 SN2O3C22H24 AB2C3D22E24 -41.86 6.36 -8.75 -0.76 1
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147273 53786928 1 SN6O7H19C21 AB6C7D19E21 -68.12 4.47 0.0 0.0 0
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147274 53786929 1 N6O6C19H34 A6B6C19D34 -269.21 6.2 -8.74 -1.02 0
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147275 53786930 21 CH2 AB2 -84.55 0.32 -9.52 1.4 0
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147276 53786931 1 ClN2O3H13C16 AB2C3D13E16 -53.99 3.98 -8.41 -0.42 0
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147277 53786932 1 ON3C14H19 AB3C14D19 28.62 2.61 -9.5 -0.6 0
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147278 53786933 1 SN4O8C27H40 AB4C8D27E40 -365.89 11.58 -8.89 -0.48 0
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147279 53786934 1 SN4O8C27H40 AB4C8D27E40 -365.33 4.23 -9.29 -0.76 0
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147280 53786935 1 SO2N3C11H11 AB2C3D11E11 8.14 5.53 -8.83 -2.4 0
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147281 53786936 1 PSN3O5H12C21 ABC3D5E12F21 -101.64 2.67 -9.2 -1.07 0
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147282 53786937 1 SN3O5H23C27 AB3C5D23E27 -35.79 6.56 -9.04 -0.84 0
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147283 53786938 1 O3C17H18 A3B17C18 -96.76 2.3 -8.9 -0.52 0
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147284 53786939 1 N3O9C21H29 A3B9C21D29 -386.82 4.19 -9.98 -0.98 0
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147285 53786940 1 ClSO4C16H21 ABC4D16E21 -179.75 7.0 -10.0 -0.98 0
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147286 53786941 2 OC5H10 AB5C10 -130.09 1.95 -9.86 2.08 0
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147287 53786942 1 N2F3O3H15C17 A2B3C3D15E17 -187.84 6.15 -9.3 -0.79 0
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147288 53786943 1 N5O12C21H35 A5B12C21D35 -562.81 7.06 -10.03 -0.72 0
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147289 53786944 2 O3C10H16 A3B10C16 -120.26 5.91 -9.08 -1.26 1
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147290 53786945 1 N2C16H31 A2B16C31 -16.75 2.31 0.0 0.0 0
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147291 53786946 1 N2O5C11H14 A2B5C11D14 -174.18 5.9 -11.36 -0.46 0
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147292 53786947 1 ClNSO4C12H14 ABCD4E12F14 -140.59 7.5 -9.32 -0.8 0
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147293 53786948 1 O2H10Br14C27 A2B10C14D27 162.61 1.44 -9.4 -2.06 0
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147294 53786949 2 NOC13H18 ABC13D18 -67.06 1.48 -8.85 -0.4 0
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147295 53786950 2 NOC11H12 ABC11D12 -34.92 2.15 -8.84 -0.41 0
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147296 53786951 1 NSO3C23H27 ABC3D23E27 -91.6 2.71 -8.21 -0.06 0
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147297 53786952 1 O3C13H16 A3B13C16 -113.48 4.87 -9.6 -0.77 0
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147298 53786953 1 FC33H35 AB33C35 67.18 2.07 -8.64 -0.84 0
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147299 53786954 1 N2O2F3C41H51 A2B2C3D41E51 -236.03 6.35 -8.89 -1.06 0
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147300 53786955 1 N2O4C33H48 A2B4C33D48 -130.53 5.93 -8.61 -0.3 0
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147301 53786956 1 FN5O7C42H54 AB5C7D42E54 -274.32 7.23 -8.93 -0.24 0
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147302 53786957 1 NO4C20H21 AB4C20D21 -102.45 1.31 -8.98 -0.62 0
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147303 53786958 1 N2O3C9H22 A2B3C9D22 -151.44 2.5 -9.19 1.93 0
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147304 53786959 1 N2F3O6C33H35 A2B3C6D33E35 -338.13 6.48 -8.9 -0.36 0
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147305 53786960 1 SO2C46H84 AB2C46D84 -207.11 2.82 -8.61 0.03 0
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147306 53786961 1 ClIOC10H12 ABCD10E12 -35.43 2.96 -9.43 -0.9 0
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147307 53786962 1 OSF2N3C25H27 ABC2D3E25F27 -57.22 2.23 -8.5 -0.37 0
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147308 53786963 1 O2C9H18 A2B9C18 -107.08 1.15 -10.09 1.25 0
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147309 53786965 1 O2N3H21C22 A2B3C21D22 2.29 4.07 -8.13 -0.46 0
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147310 53786966 1 ON2C26H30 AB2C26D30 19.94 2.97 -7.97 -0.71 0
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147311 53786967 1 PO4C25H29 AB4C25D29 -131.43 2.97 -7.81 -1.1 0
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147312 53786968 1 PSO4C21H33 ABC4D21E33 -197.81 6.45 -8.72 -0.42 0
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147313 53786969 1 SN6C20H28 AB6C20D28 102.39 6.77 -8.1 -0.13 0
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147314 53786970 1 O6C13H16 A6B13C16 -216.41 4.18 -9.46 -1.18 0
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147315 53786971 2 O6C13H21 A6B13C21 -561.78 3.38 -9.58 0.31 0
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147316 53786972 1 OSN4C17H24 ABC4D17E24 13.72 4.47 -7.88 -0.24 0
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147317 53786973 1 O3C19H30 A3B19C30 -161.72 5.04 -9.49 0.91 0
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147318 53786974 2 NO2C5H10 AB2C5D10 -111.76 3.74 -8.86 -0.54 0
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147319 53786975 1 SN2O2C13H14 AB2C2D13E14 -15.44 4.31 -9.09 -0.52 0
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147320 53786976 1 ON5C15H15 AB5C15D15 37.89 4.04 -8.86 -0.72 0
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147321 53786977 1 NO3C26H33 AB3C26D33 -86.37 6.99 -8.28 -0.09 0
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147322 53786978 2 NOC5H7 ABC5D7 -61.45 5.72 -8.93 -0.1 0
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147323 53786979 1 ClN3O6C8H14 AB3C6D8E14 -239.82 4.21 -10.3 -0.96 0
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147324 53786980 1 O5N6C21H34 A5B6C21D34 -202.72 11.34 -9.21 -0.19 -3
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147325 53786981 1 P3N6O21C43H78 A3B6C21D43E78 -1024.1 12.93 0.0 0.0 0
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147326 53786982 2 NC6H11 AB6C11 -5.27 2.58 -7.85 1.24 0
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147327 53786983 1 SO2C29H34 AB2C29D34 -43.83 3.4 -8.57 -0.64 0
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147328 53786984 1 N8O14C39H52 A8B14C39D52 -526.78 8.65 -9.86 -0.87 0
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147329 53786985 1 NO3C11H21 AB3C11D21 -161.66 2.74 -9.36 0.59 0
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147330 53786986 1 S2O9N11C68H79 A2B9C11D68E79 -278.65 3.61 -8.7 -1.19 1
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147331 53786987 1 SO3N5C19H26 AB3C5D19E26 -12.51 5.04 0.0 0.0 0
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147332 53786988 1 N2O5C28H40 A2B5C28D40 -130.7 4.53 -9.04 -1.76 0
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147333 53786989 1 SCl3N4O10H33C35 AB3C4D10E33F35 -330.96 6.08 -9.1 -0.66 0
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147334 53786990 1 NO2C15H15 AB2C15D15 -27.49 3.12 -8.83 -1.22 0
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147335 53786991 1 IO2C5H9 AB2C5D9 -90.33 1.52 -9.89 -1.23 0
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147336 53786992 1 OC17H30 AB17C30 -67.73 2.18 -9.17 0.4 0
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147337 53786993 1 NO5C19H37 AB5C19D37 -295.92 2.33 -9.32 0.04 0
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147338 53786994 1 ClSN2O3C17H17 ABC2D3E17F17 -82.46 6.66 -8.9 -0.91 0
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147339 53786995 1 SN3O9H39C49 AB3C9D39E49 -114.47 8.81 -8.85 -0.7 0
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147340 53786996 1 SN3O9H39C49 AB3C9D39E49 -125.32 6.07 -9.08 -0.98 0
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147341 53786997 1 SN3O9H39C49 AB3C9D39E49 -122.49 8.7 -8.9 -0.84 0
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147342 53786998 1 O3C18H20 A3B18C20 -73.0 5.99 -8.58 -0.98 1
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147343 53786999 1 N3O4C20H26 A3B4C20D26 -73.41 7.65 0.0 0.0 0
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147344 53787000 1 NO2C17H21 AB2C17D21 -46.39 2.61 -8.83 0.04 0
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147345 53787001 1 SO4F18H62C76 AB4C18D62E76 -940.42 15.33 -8.71 -0.86 0
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147346 53787002 1 ClINO2H9C11 ABCD2E9F11 -29.5 2.44 -8.64 -1.25 0
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147347 53787003 1 O11C56H62 A11B56C62 -260.39 2.95 -8.58 -0.15 0
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147348 53787004 2 OC17H28 AB17C28 -191.2 1.88 -9.16 1.06 0
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147349 53787005 1 FO2N3C28H28 AB2C3D28E28 -32.7 7.21 -9.05 -0.74 0
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147350 53787006 1 BrOH11C15 ABC11D15 68.84 2.66 -9.06 -0.3 0
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147351 53787007 1 O2H16C19 A2B16C19 -18.92 2.33 -8.93 0.04 0
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147352 53787008 1 FN3O6C38H44 AB3C6D38E44 -231.54 3.94 -7.74 -0.24 0
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147353 53787009 1 SiH38C44 AB38C44 121.99 0.09 -8.69 -0.49 0
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147354 53787010 1 N2F3O8H25C27 A2B3C8D25E27 -314.77 5.06 -9.1 -1.89 2
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147355 53787011 2 BrNC11H24 ABC11D24 -73.29 9.93 -7.67 0.55 0
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147356 53787012 1 NO5H11C12 AB5C11D12 -83.06 2.53 -10.4 -1.81 0
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147357 53787013 1 ON4C25H26 AB4C25D26 53.4 1.49 -7.63 -0.82 0
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147358 53787014 1 F2S3O5N6H14C17 A2B3C5D6E14F17 -133.16 10.66 -9.45 -1.34 0
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147359 53787015 1 N5O5C26H37 A5B5C26D37 -159.16 11.44 -8.42 0.25 0
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147360 53787016 1 ClNI3O4C11H11 ABC3D4E11F11 -124.2 4.65 -10.08 -2.13 0
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147361 53787017 1 NI3O4H10C11 AB3C4D10E11 -90.7 6.59 -9.89 -1.97 0
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147362 53787018 1 N5O8C15H21 A5B8C15D21 -284.84 3.96 -9.12 -0.56 0
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147363 53787019 1 N5O8C15H21 A5B8C15D21 -292.18 1.88 -9.31 -0.77 0
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147364 53787020 1 N5O8C15H21 A5B8C15D21 -287.27 1.11 -9.35 -0.76 0
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147365 53787021 1 N5O8C15H21 A5B8C15D21 -289.35 2.15 -9.07 -0.52 0
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147366 53787022 1 SN2O2C8H16 AB2C2D8E16 -82.54 2.71 -8.6 0.29 0
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147367 53787023 1 N2S2O3C28H40 A2B2C3D28E40 -133.58 1.77 -8.37 -0.4 0
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147368 53787024 1 F2N3C27H27 A2B3C27D27 -9.14 9.91 -9.51 -1.82 0
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147369 53787025 2 SN2O2C30H47 AB2C2D30E47 -173.31 0.82 -8.12 -0.48 0
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147370 53787026 1 FN2O3H21C25 AB2C3D21E25 -42.24 12.72 -8.07 -1.31 0