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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219011 85090366 1 FN4O4H29C31 AB4C4D29E31 -98.17 5.75 -9.54 -0.22 0
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219013 85090368 1 FS3N4O5C22H23 AB3C4D5E22F23 -101.32 7.37 -8.85 -1.91 0
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219014 85090369 1 SO7C29H46 AB7C29D46 -372.48 4.81 -9.97 -0.95 0
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219015 85090370 1 SiO7C29H50 AB7C29D50 -360.44 2.97 -8.77 -0.14 0
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219016 85090371 1 Si2O7C27H46 A2B7C27D46 -356.46 3.16 -8.82 0.41 0
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219017 85090372 1 N3O8H21C29 A3B8C21D29 -193.33 8.78 -8.88 -1.81 0
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219018 85090373 1 F3N7H28C30 A3B7C28D30 17.17 7.92 -9.07 -0.67 0
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219019 85090374 1 NO9C29H33 AB9C29D33 -350.85 4.75 -9.52 -1.49 0
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219020 85090376 1 ClSF2O3N7C22H24 ABC2D3E7F22G24 -108.84 5.99 -9.36 -1.46 1
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219021 85090377 1 S2O5N6C24H25 A2B5C6D24E25 -74.73 3.6 0.0 0.0 0
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219022 85090378 1 O3N8C29H32 A3B8C29D32 -0.65 4.27 -8.33 -0.81 0
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219023 85090379 1 O8C31H40 A8B31C40 -350.56 8.29 -9.58 -0.71 0
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219024 85090381 1 N2O7C30H40 A2B7C30D40 -121.75 6.78 -8.48 -1.12 0
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219025 85090382 1 O7C32H44 A7B32C44 -278.57 4.14 -9.18 0.24 0
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219026 85090383 1 O3H36C38 A3B36C38 -8.68 4.33 -8.71 -0.33 1
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219027 85090384 1 N2O2C36H49 A2B2C36D49 -87.07 4.16 0.0 0.0 0
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219028 85090387 1 INO4C24H48 ABC4D24E48 -244.04 14.68 -7.28 -0.29 1
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219029 85090388 1 NO4C24H48 AB4C24D48 -223.87 4.09 0.0 0.0 0
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219030 85090389 1 NS2F3O5C25H26 AB2C3D5E25F26 -320.38 11.04 -9.84 -1.57 1
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219031 85090390 1 S2O5N7C23H24 A2B5C7D23E24 -79.23 2.63 0.0 0.0 0
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219032 85090391 1 NSF2O5C29H29 ABC2D5E29F29 -258.56 3.75 -9.1 -0.48 0
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219033 85090392 1 N3O5C32H35 A3B5C32D35 -114.43 5.1 -8.78 -0.3 0
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219034 85090393 1 ClNS3O6C23H24 ABC3D6E23F24 -187.29 9.23 -9.48 -0.93 0
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219035 85090394 1 ClNSO6C27H40 ABCD6E27F40 -277.09 4.9 -8.91 -0.8 2
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219036 85090396 1 OCl2N3C19H25 AB2C3D19E25 74.67 12.11 -5.94 -0.41 0