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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221580 85280528 1 ClSO2C11H13 ABC2D11E13 -56.12 3.21 -8.66 -0.57 0
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221581 85280550 1 FON4H11C12 ABC4D11E12 79.24 8.6 -10.17 -2.16 0
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221582 85280579 2 O2C7H8 A2B7C8 -123.86 3.37 -9.41 -0.54 0
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221583 85280585 1 O3C15H20 A3B15C20 -115.82 4.79 -9.47 0.76 0
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221584 85280589 1 SO2C14H16 AB2C14D16 -69.21 2.96 -8.84 -0.1 0
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221585 85280693 1 SiO2C14H26 AB2C14D26 -143.45 1.78 -9.65 0.77 0
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221586 85280712 1 N2O3H12C14 A2B3C12D14 -24.22 8.35 -9.45 -1.44 0
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221587 85280744 1 N2O3C14H14 A2B3C14D14 12.77 4.98 -9.04 -1.16 0
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221588 85281224 1 O2N6C13H16 A2B6C13D16 96.03 9.49 -9.26 -1.28 0
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221589 85281227 1 FON4H11C15 ABC4D11E15 36.98 2.55 -9.85 -2.33 0
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221590 85281228 1 SN2O2F3C10H15 AB2C2D3E10F15 -197.53 13.12 -8.42 -0.9 0
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221592 85281231 1 N2O3C16H16 A2B3C16D16 -63.92 3.42 -8.53 -0.87 0
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221593 85285412 1 Br2O7C19H24 A2B7C19D24 -275.86 3.42 -8.92 -0.57 0
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221594 85285415 1 O5N6H24C28 A5B6C24D28 -62.14 5.08 -9.11 -1.37 0
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221595 85285416 2 NSO3C13H13 ABC3D13E13 -189.06 1.71 -8.89 -0.48 0
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221596 85285420 1 O5C34H36 A5B34C36 -154.76 2.54 -8.4 -0.55 0
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221597 85285451 1 SSiO5C29H38 ABC5D29E38 265.91 14.8 -7.02 -1.84 0
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221598 85285452 1 SeO4C29H36 AB4C29D36 -149.49 2.81 -8.75 -0.55 0
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221599 85285454 1 N5O5C29H29 A5B5C29D29 -84.59 3.73 -9.41 -0.81 0
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221600 85285455 1 NO8C29H37 AB8C29D37 -341.06 2.45 -9.74 -1.44 0
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221601 85285457 1 NSO9C25H37 ABC9D25E37 -396.95 3.03 -9.23 -0.64 0
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221602 85285458 1 SiN5O6C25H33 AB5C6D25E33 -221.87 6.41 -9.2 -0.75 0
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221603 85285460 1 O14C23H28 A14B23C28 -569.45 5.52 -9.48 -1.29 1
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221604 85285461 1 SO6N9C21H22 AB6C9D21E22 22.92 20.66 0.0 0.0 0
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221605 85285701 1 N5O8C26H47 A5B8C26D47 -438.65 5.23 -9.75 0.26 0