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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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