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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164526 74412507 1 NO5C22H28 AB5C22D28 -136.18 5.23 0.0 0.0 0
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164527 74412508 1 BrSiN4O6C40H57 ABC4D6E40F57 -309.13 4.36 -8.52 -0.19 0
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164528 74412633 1 ClINaS2N6O7C29H37 ABCD2E6F7G29H37 -255.87 8.73 -8.46 -0.94 0
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164529 74412634 1 O3N9C25H33 A3B9C25D33 -42.11 2.26 -8.15 -0.59 0
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164530 74412881 1 O23C59H88 A23B59C88 -1021.22 10.6 -9.08 -1.13 0
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164531 74413086 1 NSiO2F3C15H20 ABC2D3E15F20 -181.14 3.13 -9.96 -1.5 1
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164532 74413463 1 NO14C45H74 AB14C45D74 -618.47 16.52 0.0 0.0 -1
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164533 74413585 1 N2O19C25H41 A2B19C25D41 -854.53 6.18 0.0 0.0 -8
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164534 74414011 1 N4O17C45H46 A4B17C45D46 -561.88 14.85 -8.72 -1.16 1
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164535 74414387 1 O3N4C23H35 A3B4C23D35 -97.26 8.22 0.0 0.0 1
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164536 74414440 1 ClOSN3C19H23 ABCD3E19F23 2.44 8.68 0.0 0.0 1
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164537 74414441 1 O2N5H20C25 A2B5C20D25 75.56 5.28 0.0 0.0 1
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164538 74414442 1 FO2N4C22H28 AB2C4D22E28 -52.2 4.09 0.0 0.0 0
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164539 74414443 1 FO2N4C22H27 AB2C4D22E27 -78.44 7.24 -9.05 -0.5 1
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164541 74414757 1 ClFON3C18H27 ABCD3E18F27 3.42 8.25 -4.19 -1.11 0
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164542 74414758 1 N2F3O5H17C21 A2B3C5D17E21 -245.8 4.0 -9.68 -1.04 1
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164543 74414759 1 N2O3C18H25 A2B3C18D25 -61.42 1.05 0.0 0.0 2
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164545 74414799 1 FN2O2C18H26 AB2C2D18E26 -101.23 3.25 0.0 0.0 1
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164546 74414800 1 FON4C19H26 ABC4D19E26 -26.85 5.71 0.0 0.0 0
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164547 74414801 1 FO3N4C21H31 AB3C4D21E31 -155.84 9.28 -8.79 0.04 1
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164549 74414803 1 SO3N4C18H31 AB3C4D18E31 -115.23 8.97 0.0 0.0 1
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164550 74414985 1 O2N6C23H23 A2B6C23D23 105.2 19.47 0.0 0.0 0
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164551 74415249 2 NO3C12H16 AB3C12D16 -148.72 9.84 -8.41 -1.48 1
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164552 74415616 1 SN4C22H27 AB4C22D27 96.87 11.48 0.0 0.0 0
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164554 74415618 1 FO2N4C26H36 AB2C4D26E36 -56.57 4.19 0.0 0.0 -1