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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397294 135030006 1 NCl2O2H11C15 AB2C2D11E15 -58.91 0.97 -8.91 -1.04 0
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397295 135030007 1 NO5H23C25 AB5C23D25 -156.92 5.71 -8.83 -0.89 0
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397296 135030009 1 NO4C21H21 AB4C21D21 -125.05 4.57 -8.87 -0.92 0
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397297 135030010 1 NO2H15C19 AB2C15D19 -25.1 3.73 -8.48 -0.81 0
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397298 135030011 1 ClIO7C29H32 ABC7D29E32 -220.51 2.37 -8.76 -0.82 0
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397299 135030012 1 ClO11C38H41 AB11C38D41 -417.54 3.24 -9.58 -1.65 1
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397300 135030013 1 SiO2C17H29 AB2C17D29 -129.72 2.71 0.0 0.0 0
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397301 135030014 1 SO2C18H20 AB2C18D20 -51.87 1.23 -8.93 -0.06 0
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397302 135030016 1 NOSH15C17 ABCD15E17 39.94 3.28 -8.89 -0.51 0
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397303 135030017 1 O3N5C23H31 A3B5C23D31 -43.24 11.28 -9.25 -0.88 0
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397304 135030018 1 FNC18H20 ABC18D20 -0.29 2.1 -8.57 0.08 0
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397305 135030019 1 ON3C18H27 AB3C18D27 -23.38 2.48 -8.36 0.33 0
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397306 135030020 1 NO3C10H15 AB3C10D15 -132.46 4.73 -9.95 0.44 -2
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397307 135030021 1 NOYC7H11 ABCD7E11 -13.77 2.17 0.0 0.0 -2
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397308 135030022 2 SO3C46H60 AB3C46D60 -178.22 1.41 -8.45 -2.3 0
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397309 135030023 2 SO3C46H61 AB3C46D61 -223.58 3.06 -7.71 -2.02 0
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397310 135030024 1 SN3O3H5C7 AB3C3D5E7 4.54 5.16 -9.19 -1.36 0
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397311 135030025 6 H7C10 A7B10 337.74 0.2 -8.09 -1.3 0
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397312 135030026 1 ON2H28C44 AB2C28D44 167.28 8.06 -7.75 -1.58 0
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397313 135030027 1 NO2F6H19C30 AB2C6D19E30 -285.79 4.52 -9.21 -1.79 0
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397314 135030028 1 NCl2O2F6H13C22 AB2C2D6E13F22 -339.6 5.44 -9.95 -1.82 0
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397315 135030029 1 F3O3H13C18 A3B3C13D18 -205.72 1.32 -9.82 -0.95 0
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397316 135030031 1 OSC19H24 ABC19D24 -19.77 3.19 -8.6 -0.09 0
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397317 135030032 1 NO2C22H25 AB2C22D25 -59.25 3.42 -9.4 0.2 0
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397318 135030033 1 NO2C13H15 AB2C13D15 -76.36 2.93 -9.58 -0.03 0
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397320 135030035 1 N2O3C20H22 A2B3C20D22 -86.1 3.35 -9.69 -0.71 0
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397321 135030036 1 ON2C16H16 AB2C16D16 12.91 4.8 -9.51 -0.34 0
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397322 135030040 1 NO6C15H19 AB6C15D19 -238.34 5.01 -8.68 -0.14 0
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397323 135030042 1 NO6C16H19 AB6C16D19 -240.41 4.91 -9.42 -0.82 0
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397324 135030043 1 NO5C17H23 AB5C17D23 -228.0 3.27 -8.82 0.03 0
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397325 135030044 1 NO5C20H29 AB5C20D29 -233.58 3.64 -9.3 0.04 0
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397326 135030045 1 NO5C18H27 AB5C18D27 -260.3 3.0 -9.85 0.16 0
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397327 135030046 1 O3C18H20 A3B18C20 -82.1 2.93 -9.06 -0.2 0
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397328 135030053 1 NO2C11H13 AB2C11D13 -30.73 3.75 -9.2 -0.61 0
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397329 135030058 1 NO2F3H16C18 AB2C3D16E18 -183.77 5.05 -9.63 -0.29 0
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397330 135030059 1 BrNO2S2H10C12 ABC2D2E10F12 -25.76 3.94 -9.47 -1.52 0
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397331 135030060 1 NOH17C19 ABC17D19 19.32 3.92 -8.7 -1.21 0
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397332 135030061 1 ClNOH16C19 ABCD16E19 9.53 4.71 -8.9 -1.41 0
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397333 135030062 1 NOH15C18 ABC15D18 23.7 3.86 -8.72 -1.22 0
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397334 135030063 1 ClNOH14C18 ABCD14E18 13.75 4.76 -8.91 -1.42 0
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397335 135030065 1 ClO3N4C25H33 AB3C4D25E33 -87.71 8.28 -9.59 -1.08 0
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397336 135030067 1 SiO4C25H52 AB4C25D52 -315.88 2.36 -8.75 1.28 0
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397337 135030068 1 O4C19H36 A4B19C36 -236.94 5.57 -10.02 0.69 0
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397338 135030069 1 SiO2C22H30 AB2C22D30 -104.51 1.51 -9.02 0.11 0
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397339 135030071 1 SiO4C36H50 AB4C36D50 -214.81 5.49 -8.88 0.24 0
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397340 135030072 1 IC7H13 AB7C13 -3.56 1.98 -9.52 -0.75 0
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397341 135030073 1 NOSC7H11 ABCD7E11 -55.23 3.32 -9.14 -0.13 0
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397342 135030075 1 OSiC19H22 ABC19D22 6.78 3.52 -8.99 -0.33 0
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397343 135030076 1 O2Si2C27H40 A2B2C27D40 -117.86 2.89 -8.86 -0.44 0
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397346 135030081 1 NO3C11H17 AB3C11D17 -145.94 2.18 -9.99 -0.25 0
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397347 135030084 1 O2H12C19 A2B12C19 4.88 0.32 -8.42 -0.73 0
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397348 135030085 2 NO3H8C9 AB3C8D9 -173.96 5.52 -8.99 -1.57 0
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397349 135030086 1 BSiS2C3H11O12 ABC2D3E11F12 -692.29 4.15 -10.66 -1.1 1
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397352 135030091 1 SN2O4C20H20 AB2C4D20E20 -103.75 4.01 -8.47 -0.2 0
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397353 135030092 1 ClSN2O3H17C19 ABC2D3E17F19 -73.26 3.69 -8.74 -0.56 0
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397354 135030096 1 SN2O3C20H20 AB2C3D20E20 -72.02 4.52 -8.4 -0.16 0
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397355 135030103 1 NSSiO6C15H31 ABCD6E15F31 -353.08 7.05 -8.9 -1.06 0
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397356 135030104 1 SiN2O5C21H38 AB2C5D21E38 -300.48 2.29 -8.81 -0.3 0
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397357 135030105 1 F2N3O5H25C29 A2B3C5D25E29 -164.88 5.04 -8.79 -0.98 0
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397358 135030106 1 H8C11 A8B11 143.57 1.97 -8.8 -0.64 0
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397359 135030107 1 LiC29H37 AB29C37 9.13 7.2 -7.6 0.42 0
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397360 135030108 1 C29H38 A29B38 -7.78 0.9 -8.51 -0.21 0
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397361 135030110 2 NOC6H8 ABC6D8 3.03 4.02 -10.24 -0.77 0
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397362 135030113 1 ON2C20H30 AB2C20D30 -0.01 1.12 -8.17 0.33 1
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397363 135030114 1 H11C13 A11B13 86.26 0.73 0.0 0.0 0
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397364 135030115 1 NO4C20H21 AB4C20D21 -136.91 3.84 -8.69 -0.8 0
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397365 135030116 1 NSO4C17H19 ABC4D17E19 -60.16 7.58 -8.61 -0.77 0
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397366 135030117 1 SN2O3C21H26 AB2C3D21E26 -63.36 6.37 -9.15 -0.34 0
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397367 135030119 1 ON3H19C22 AB3C19D22 105.19 9.01 -9.02 -0.59 0
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397368 135030120 1 ON3H19C22 AB3C19D22 105.51 8.84 -8.92 -0.84 0
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397369 135030121 1 N3O3H19C22 A3B3C19D22 43.11 7.94 -8.83 -0.84 0
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397370 135030122 1 N3O3H19C22 A3B3C19D22 44.17 8.03 -9.02 -0.82 0
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397371 135030123 1 NS2F3O5C17H18 AB2C3D5E17F18 -328.55 7.27 -9.94 -0.91 0
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397372 135030124 1 FN2O3C20H21 AB2C3D20E21 -124.23 6.33 -9.22 -1.06 0
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397373 135030125 1 NO4C11H13 AB4C11D13 -143.73 4.92 -9.49 0.13 0