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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148274 53787936 1 SO4N5C17H21 AB4C5D17E21 -74.34 5.7 -9.2 -0.83 0
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148275 53787937 1 FO3N6C25H29 AB3C6D25E29 -83.69 5.75 -9.22 -1.04 0
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148276 53787938 1 S2N6O11H26C35 A2B6C11D26E35 -241.65 12.8 -8.9 -2.07 0
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148277 53787939 1 F2N2Cl3H11C20 A2B2C3D11E20 7.34 2.7 -9.33 -1.35 0
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148278 53787940 1 O3N4C27H32 A3B4C27D32 -60.99 4.25 -9.11 -1.12 0
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148279 53787941 1 SN2O3C18H24 AB2C3D18E24 -123.98 6.15 -8.71 0.07 0
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148280 53787942 1 NO4H21C26 AB4C21D26 -85.02 2.28 -8.96 -0.95 0
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148281 53787943 1 ClNO6C26H26 ABC6D26E26 -180.29 2.02 -8.32 -1.32 0
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148282 53787944 1 ClON2C11H15 ABC2D11E15 2.91 3.84 -9.17 -0.61 0
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148283 53787945 1 N2O5C15H28 A2B5C15D28 -271.87 6.61 -10.44 0.02 0
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148284 53787946 1 NO3C17H17 AB3C17D17 -63.4 2.51 -8.6 -0.65 0
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148285 53787947 6 OC3H3 AB3C3 -173.04 3.47 -9.48 -1.35 0
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148286 53787948 1 N3C22H29 A3B22C29 7.59 2.6 -8.37 -0.05 0
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148287 53787949 1 OCl3C14H23 AB3C14D23 -99.31 3.08 -9.7 -0.33 0
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148288 53787950 1 NOC22H27 ABC22D27 -13.05 1.47 -8.51 0.47 0
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148289 53787951 1 N3O4H19C22 A3B4C19D22 -83.07 4.88 -9.14 -1.38 0
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148290 53787952 1 PO10C57H87 AB10C57D87 -515.6 3.01 -8.7 0.08 0
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148291 53787953 1 SC11H14 AB11C14 25.91 1.46 -8.26 0.18 0
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148292 53787954 1 SSiN3O4C25H45 ABC3D4E25F45 -226.35 2.9 -8.54 -0.13 0
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148293 53787955 1 N4O5C23H28 A4B5C23D28 -160.54 4.54 -8.74 -1.36 0
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148294 53787956 1 N3F5C26H26 A3B5C26D26 -179.66 4.33 -8.91 -0.88 0
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148295 53787957 1 N2O5H18C20 A2B5C18D20 -0.25 6.33 -8.47 -0.46 0
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148296 53787958 1 NO2C26H35 AB2C26D35 -71.77 2.48 -9.34 -0.26 0
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148297 53787959 1 ClNSO4C20H22 ABCD4E20F22 -132.16 3.7 -8.73 -1.49 0
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148298 53787960 4 C5H8 A5B8 -29.55 0.44 -8.71 0.29 0
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148299 53787961 2 OC6H8 AB6C8 -92.27 1.5 -9.22 0.37 0
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148300 53787962 1 NO10C35H47 AB10C35D47 -396.88 3.88 -9.49 -0.17 0
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148301 53787963 2 SN2H9C13 AB2C9D13 192.18 3.42 -8.81 -1.25 0
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148302 53787964 1 NSCl2O4C18H19 ABC2D4E18F19 -138.87 2.18 -8.57 -0.95 0
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148303 53787965 1 ON2C44H80 AB2C44D80 -66.01 3.09 -8.73 0.05 0
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148304 53787966 1 OS2C9H18 AB2C9D18 -66.58 2.4 -8.64 -0.4 0
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148305 53787967 1 N2O5C28H34 A2B5C28D34 -202.69 2.97 -9.37 0.02 0
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148306 53787968 1 NO5C26H45 AB5C26D45 -263.59 3.05 -10.31 0.22 0
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148307 53787969 1 NCl2O2C20H21 AB2C2D20E21 -55.35 2.05 -8.33 -0.33 0
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148308 53787970 1 O7H34C38 A7B34C38 -123.74 9.99 -8.59 -0.59 0
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148309 53787971 1 O6N7C23H27 A6B7C23D27 -78.44 5.15 -9.74 -1.46 0
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148310 53787972 1 ClO3H13C15 AB3C13D15 -76.46 4.1 -9.05 -0.52 0
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148311 53787973 1 N2O5C26H30 A2B5C26D30 -202.65 5.16 -9.28 -1.45 0
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148312 53787974 1 SN2O5C20H20 AB2C5D20E20 -123.65 14.14 -8.95 -1.4 0
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148313 53787975 2 OC7H9 AB7C9 -64.06 3.06 -9.16 -0.64 0
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148314 53787976 1 FOC7H13 ABC7D13 -114.04 1.53 -9.9 0.36 0
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148315 53787977 1 O5C21H32 A5B21C32 -226.88 7.01 -9.88 0.38 0
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148316 53787978 1 FOSN4H11C15 ABCD4E11F15 43.43 2.74 -8.97 -1.08 0
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148317 53787979 1 PSO2C8H11 ABC2D8E11 -111.3 2.48 -9.01 0.04 0
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148318 53787980 1 N2O7C25H34 A2B7C25D34 -285.71 6.35 -8.93 -1.07 0
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148319 53787981 2 NOC10H15 ABC10D15 -97.86 2.32 -8.55 0.3 0
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148320 53787982 1 O3C25H48 A3B25C48 -212.34 3.13 -9.55 0.7 0
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148321 53787983 1 OCl2N3H27C29 AB2C3D27E29 35.12 6.6 -9.24 -0.71 0
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148322 53787984 1 SO3N4C18H24 AB3C4D18E24 -57.8 8.23 -8.64 -1.18 0
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148323 53787985 1 SN3O3C11H11 AB3C3D11E11 -5.8 4.73 -9.27 -1.15 0
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148324 53787986 1 NO2C10H17 AB2C10D17 -75.97 2.66 -9.47 0.23 0
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148325 53787987 1 ClNOF3H7C9 ABCD3E7F9 -188.21 4.54 -10.24 -1.31 0
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148326 53787988 1 N2O3C9H16 A2B3C9D16 -109.24 1.04 -8.92 0.55 0
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148327 53787989 1 ClNOC22H28 ABCD22E28 -30.13 3.25 -8.3 0.17 0
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148328 53787990 1 BrN3H16C21 AB3C16D21 107.25 2.97 -8.75 -1.12 0
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148329 53787991 1 OSiC12H28 ABC12D28 -114.89 1.67 -9.25 1.68 0
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148330 53787992 1 OC27H44 AB27C44 -103.25 1.71 -8.51 0.38 1
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148331 53787993 1 NO5C14H18 AB5C14D18 -164.8 1.88 0.0 0.0 0
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148332 53787994 1 F2N5O6H23C31 A2B5C6D23E31 -138.71 8.08 -8.37 -0.83 0
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148333 53787995 1 OC20H28 AB20C28 -25.77 4.88 -8.41 -0.12 0
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148334 53787996 1 O3C16H22 A3B16C22 -132.84 2.49 -8.97 -0.86 0
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148335 53787997 1 ClNO3C25H30 ABC3D25E30 -112.96 1.92 -7.92 -0.22 0
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148336 53787998 1 NO2S2C13H15 AB2C2D13E15 -12.64 3.34 -8.41 -0.53 0
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148337 53787999 1 N2O3C11H20 A2B3C11D20 -118.08 2.95 -8.5 0.56 0
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148338 53788000 1 N2O3C11H20 A2B3C11D20 -119.79 1.26 -8.61 0.66 0
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148339 53788001 1 FO2N7H20C21 AB2C7D20E21 -25.09 6.38 -9.23 -0.81 0
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148340 53788002 1 FO2N7H20C21 AB2C7D20E21 -28.31 5.78 -9.2 -0.84 0
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148341 53788003 1 FO2N7H20C21 AB2C7D20E21 -27.73 3.75 -9.2 -0.88 0
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148342 53788004 1 BrO2S2C12H15 AB2C2D12E15 -58.82 2.51 -8.33 -0.64 0
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148343 53788005 1 ON2C21H36 AB2C21D36 -50.9 2.55 -8.36 0.52 0
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148344 53788006 1 ClSN2O3C20H23 ABC2D3E20F23 -89.5 2.03 -8.74 -0.98 0
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148345 53788007 1 OSN2F3C23H25 ABC2D3E23F25 -143.63 1.83 -8.62 -0.81 0
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148346 53788008 1 O3C22H26 A3B22C26 -69.63 5.26 -7.86 -0.69 0
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148347 53788009 1 NO6C26H33 AB6C26D33 -208.13 4.6 -8.21 -0.08 0
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148348 53788010 1 SN7O21C52H83 AB7C21D52E83 -999.44 9.89 -9.72 -1.23 0
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148349 53788011 1 N2O3C26H36 A2B3C26D36 -118.21 7.48 -9.74 -1.32 0
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148350 53788012 1 S3O6N9C17H19 A3B6C9D17E19 -44.6 12.29 -9.46 -1.15 0
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148351 53788013 1 SN3O12H23C28 AB3C12D23E28 -396.74 7.45 -9.17 -1.34 0
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148352 53788014 1 O3C10H12 A3B10C12 -96.85 3.07 -9.14 -0.15 0
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148354 53788016 1 N3O5H15C17 A3B5C15D17 -108.39 4.51 -9.3 -0.94 0
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148355 53788017 1 FON3C19H22 ABC3D19E22 -24.67 5.38 -9.05 -0.56 0
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148356 53788018 1 ClO4H19C20 AB4C19D20 -95.87 2.64 -8.76 -0.43 0
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148357 53788019 1 NSO2C29H51 ABC2D29E51 -146.32 3.09 -8.53 -0.68 0
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148358 53788020 1 SN3O6C25H39 AB3C6D25E39 -265.2 4.3 -9.28 -0.31 0
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148359 53788021 1 BrO4N5C25H28 AB4C5D25E28 -82.84 9.16 -8.5 -0.95 0
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148360 53788022 1 NOC11H17 ABC11D17 -16.45 4.35 -8.79 -0.08 0
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148361 53788023 1 O2H16C21 A2B16C21 2.52 6.19 -9.65 -0.67 0
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148362 53788024 1 SF3N4O5H21C22 AB3C4D5E21F22 -291.61 5.88 -9.41 -1.24 0
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148363 53788025 1 N2O2C13H18 A2B2C13D18 -64.29 5.28 -9.62 -0.18 0
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148364 53788026 1 OSN3C22H25 ABC3D22E25 28.87 2.38 -8.61 -0.59 0
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148365 53788027 1 SO5C21H26 AB5C21D26 -121.78 5.61 -9.36 -0.08 0
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148366 53788028 1 N2O5C25H50 A2B5C25D50 -160.95 1.9 -10.22 -1.19 0
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148367 53788029 1 SF3O3N4H7C9 AB3C3D4E7F9 -160.67 3.92 -9.98 -1.53 0
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148368 53788030 1 FSN3O3H18C19 ABC3D3E18F19 -65.17 5.13 -9.28 -0.82 0
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148369 53788031 4 OC5H8 AB5C8 -100.7 7.92 -9.63 -0.26 0
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148370 53788032 2 NO2C11H11 AB2C11D11 -62.1 1.96 -8.42 -1.02 0
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148371 53788033 1 SO2H5N5C7 AB2C5D5E7 137.77 9.23 -9.1 -2.77 1
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148372 53788034 1 NPSiO9C37H47 ABCD9E37F47 -359.6 5.58 0.0 0.0 0
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148373 53788035 1 O2C31H60 A2B31C60 -188.25 4.06 -9.5 1.34 0
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148374 53788036 1 SN5O5C24H29 AB5C5D24E29 -143.62 5.68 -8.24 -0.64 0