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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78427 49689588 1 Cl2N3O3C18H19 A2B3C3D18E19 -69.21 7.0 -9.65 -1.05 0
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78428 49689604 1 ClN4O5C18H19 AB4C5D18E19 -63.66 8.02 -9.74 -1.96 0
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78429 49689610 1 N3O4C23H29 A3B4C23D29 -105.34 7.47 -9.46 -0.18 0
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78430 49689616 3 NO2C7H9 AB2C7D9 -165.01 6.12 -8.99 -0.31 0
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78431 49689620 1 N3O4C24H25 A3B4C24D25 -60.57 6.85 -9.27 -0.6 0
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78432 49689624 1 N4O4C23H28 A4B4C23D28 -108.43 6.8 -8.49 -0.24 0
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78433 49689625 1 N3O6C22H23 A3B6C22D23 -150.03 9.6 -9.32 -1.66 0
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78434 49689626 1 Cl2N3O4C19H21 A2B3C4D19E21 -109.05 2.11 -9.31 -0.72 0
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78435 49689631 1 N4O7C20H24 A4B7C20D24 -130.66 7.74 -9.39 -1.58 0
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78436 49689632 1 SN4O5C20H26 AB4C5D20E26 -128.31 4.91 -9.7 -1.02 0
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78437 49689633 1 BrN3O4C19H22 AB3C4D19E22 -93.55 4.49 -9.32 -0.73 0
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78438 49689634 1 O4N5C23H27 A4B5C23D27 -92.88 6.25 -9.24 -0.98 0
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78439 49689638 1 N4O5C23H28 A4B5C23D28 -138.11 4.23 -8.24 -0.23 0
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78440 49689642 1 N3O6C23H29 A3B6C23D29 -151.64 3.42 -8.68 -0.65 0
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78441 49689650 1 SN4O5C23H30 AB4C5D23E30 -140.25 6.06 -9.68 -0.99 0
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78442 49689657 1 N4O4C15H24 A4B4C15D24 -126.03 7.11 -9.38 -0.09 0
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78443 49689665 1 O3N4C19H24 A3B4C19D24 -63.52 3.49 -8.6 -0.19 0
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78444 49689701 1 O3N4C25H28 A3B4C25D28 -27.58 1.56 -9.43 -0.39 0
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78445 49689728 1 O2S2N4C15H18 A2B2C4D15E18 -11.36 7.77 -9.58 -1.1 0
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78446 49689731 1 SO2N4C18H22 AB2C4D18E22 -28.99 7.85 -9.61 -1.11 0
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78447 49689733 1 SO2N4C18H22 AB2C4D18E22 -29.14 8.86 -9.57 -1.09 0
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78448 49689736 1 SO3N4C17H20 AB3C4D17E20 -37.13 8.04 -9.47 -1.12 0
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78449 49689743 1 SO2N4C18H28 AB2C4D18E28 -70.77 4.0 -9.9 -1.32 0
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78450 49689746 1 SO2N4C18H30 AB2C4D18E30 -84.04 7.18 -9.59 -1.11 0
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78451 49689750 1 SO2N4C19H24 AB2C4D19E24 -31.12 5.32 -9.75 -1.31 0