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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221960 85292981 1 FeN2O2H22C23 AB2C2D22E23 89.93 2.15 -7.98 -1.14 0
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221961 85292982 1 N2O2H17C18 A2B2C17D18 29.91 3.94 0.0 0.0 0
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221962 85292985 1 O9C20H30 A9B20C30 -382.91 4.21 -9.88 0.12 0
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221963 85292992 1 SN2O4C21H38 AB2C4D21E38 -218.16 4.91 -9.35 0.55 0
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221964 85292999 1 NO8C21H21 AB8C21D21 -271.29 1.48 -8.94 -0.89 0
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221965 85293020 1 N2O4C25H26 A2B4C25D26 -93.51 3.4 -9.4 -0.33 0
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221966 85293028 1 INSF3O3H9C11 ABCD3E3F9G11 -217.26 8.87 -10.34 -1.72 0
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221967 85293030 1 OSN7C21H21 ABC7D21E21 114.79 7.58 -8.43 -1.36 2
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221969 85293050 1 BrClSiO2C18H30 ABCD2E18F30 -128.04 1.94 -9.12 -0.42 -1
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221971 85293068 1 SN3O7C18H21 AB3C7D18E21 -132.95 7.71 -9.76 -1.35 0
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221972 85293078 1 SO4C24H40 AB4C24D40 -234.37 1.3 -8.35 0.18 0
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221973 85293087 1 O6C25H30 A6B25C30 -196.64 4.7 -9.12 -0.28 0
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221974 85293093 1 N2O4C25H34 A2B4C25D34 -136.76 4.61 -9.41 0.04 0
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221976 85293101 1 ZnC8F14 AB8C14 -644.52 6.79 -12.14 -2.99 0
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221977 85293106 1 NSO4C24H29 ABC4D24E29 -133.19 4.42 -9.13 -0.16 0
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221978 85293117 1 SiO5C23H44 AB5C23D44 -315.57 3.53 -8.78 0.51 1
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221979 85293118 1 NOSiZrC20H39 ABCDE20F39 -42.86 7.79 -7.43 -2.47 0
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221980 85293119 1 ClN4H25C26 AB4C25D26 124.56 4.67 -8.12 -1.12 0
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221981 85293151 1 O6C25H36 A6B25C36 -198.16 3.37 -8.89 0.07 0
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221982 85293153 1 O4C27H44 A4B27C44 -226.4 3.05 -8.85 -0.12 0
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221983 85293154 1 O4C27H44 A4B27C44 -107.93 2.55 -7.66 -0.4 0
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221984 85293157 1 NO3C28H35 AB3C28D35 -111.19 1.61 -9.13 -0.98 0
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221986 85293196 1 SN2O4C24H26 AB2C4D24E26 -80.43 5.11 -8.45 -0.27 0
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221987 85293198 1 O6C25H42 A6B25C42 -319.32 4.59 -9.99 -0.46 0
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221988 85293213 1 SN2F3O4H19C20 AB2C3D4E19F20 -257.66 5.13 -9.42 -1.51 0
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221990 85293232 1 O5C27H38 A5B27C38 -199.5 4.72 -9.62 0.16 0
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221991 85293233 1 O5C27H38 A5B27C38 -249.31 4.65 -9.64 -0.11 0
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221992 85293250 1 S2O6C21H32 A2B6C21D32 -237.99 4.44 -8.14 0.46 0
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221993 85293252 1 SiO3C27H44 AB3C27D44 -163.12 4.52 -8.93 0.03 0
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221994 85293253 1 Si2O3C25H40 A2B3C25D40 -123.12 2.67 -9.11 -0.63 0
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221995 85293255 1 SnN2O3C18H34 AB2C3D18E34 -124.61 2.32 -8.24 0.79 0
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221996 85293257 1 SnO3C20H38 AB3C20D38 -157.94 4.7 -9.75 -0.1 0
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221997 85293263 1 OSeC26H38 ABC26D38 -47.43 3.42 -8.05 0.02 0
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221998 85293264 1 N3O4C25H39 A3B4C25D39 -210.22 4.28 -8.73 -0.15 0
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222000 85293290 1 ISiO3C18H29 ABC3D18E29 -135.72 5.1 -9.11 -0.75 0
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222001 85293291 1 N2O4C27H32 A2B4C27D32 -116.57 5.36 -8.95 0.06 0
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222002 85293295 1 SSiO3C25H40 ABC3D25E40 -163.12 3.48 -8.55 0.06 0
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222003 85293300 1 SP2N3O6C15H37 AB2C3D6E15F37 -461.13 11.09 -8.74 0.41 0
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222004 85293301 1 NO5C27H31 AB5C27D31 -135.63 2.68 -8.51 -0.08 0
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222005 85293305 1 NSiO2C28H39 ABC2D28E39 -109.47 4.41 -8.9 0.17 0
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222006 85293307 2 NO4C11H15 AB4C11D15 -350.46 4.4 -9.93 -0.44 0
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222007 85293313 1 O3N5H21C26 A3B5C21D26 -11.32 5.24 -8.7 -1.44 0
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222009 85293341 1 INO4C19H22 ABC4D19E22 -139.56 2.65 -8.44 -1.14 0
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222010 85293345 1 BrNO3C24H26 ABC3D24E26 -81.73 4.39 -9.51 -0.86 0
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222011 85293349 1 N2O3C29H32 A2B3C29D32 -101.28 3.61 -8.91 -0.21 1
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222012 85293360 1 NSF2O6C21H26 ABC2D6E21F26 -268.23 4.09 0.0 0.0 0
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222013 85293363 1 O3N7C23H35 A3B7C23D35 -77.3 3.41 -9.06 -0.49 0
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222014 85293364 1 O2C31H52 A2B31C52 -156.38 1.13 -8.77 1.39 0
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222015 85293375 1 O3C30H50 A3B30C50 -217.95 3.38 -9.76 0.77 0
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222016 85293400 3 O3C8H10 A3B8C10 -395.59 9.78 -9.37 -1.39 0