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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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300409 121270605 1 ClO2N6C27H29 AB2C6D27E29 10.75 9.38 -8.49 -1.08 0
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300424 121280595 1 S2O4N5H31C32 A2B4C5D31E32 12.54 2.43 -8.62 -0.83 0
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300425 121280656 1 SO4H12C14 AB4C12D14 -99.78 5.58 -9.4 -0.78 0
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300426 121280676 1 N3O9C41H77 A3B9C41D77 -450.18 7.0 -9.44 0.44 0
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300427 121280677 1 PO6C7H17 AB6C7D17 -295.4 2.61 -9.3 0.82 0
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300428 121280732 1 ON7H19C24 AB7C19D24 115.19 2.52 -9.09 -1.23 0
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300429 121280801 1 O4N5H19C25 A4B5C19D25 -0.36 8.24 -8.85 -1.06 1
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300430 121280806 1 NO3C13H14 AB3C13D14 -23.52 5.84 0.0 0.0 0
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300431 121280960 1 FOC11H11 ABC11D11 -32.41 1.09 -9.79 -0.21 0
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300432 121280967 1 Cl2O2N3F4H17C19 A2B2C3D4E17F19 -264.47 6.07 -9.91 -1.58 0
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300433 121280971 1 N2O6C21H36 A2B6C21D36 -332.76 4.49 -9.58 0.36 0
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300434 121281216 1 BrClN2O3H12C13 ABC2D3E12F13 -80.82 1.66 -9.11 -0.95 0
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300435 121281487 1 SN3O5C20H25 AB3C5D20E25 -169.31 5.53 -8.67 -1.04 0
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300436 121281571 1 SN4O6H16C19 AB4C6D16E19 -107.84 4.45 -8.82 -1.69 0
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300437 121281600 1 BrN2O2F3H10C13 AB2C2D3E10F13 -196.81 3.25 -9.98 -1.04 0
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300438 121281633 1 SN3O6C20H23 AB3C6D20E23 -167.83 3.22 -8.23 -1.08 0
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300439 121281644 1 SN5O6C28H37 AB5C6D28E37 -176.23 5.96 -9.15 -0.78 0
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300440 121281657 1 SF3N3O5C18H18 AB3C3D5E18F18 -277.59 5.51 -9.2 -1.47 0
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300441 121281658 1 SO2F3N3H16C17 AB2C3D3E16F17 -141.86 8.13 -8.92 -1.01 0
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300442 121281870 1 Cl2O3N7C24H33 A2B3C7D24E33 -77.84 6.41 -9.01 -1.44 0
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300443 121282125 1 ClO2N8C14H15 AB2C8D14E15 20.3 6.06 -8.79 -1.19 0
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300444 121282147 1 NO4C15H25 AB4C15D25 -214.67 1.67 -9.67 0.65 0
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300445 121282172 1 SN2O3C14H24 AB2C3D14E24 -157.76 1.87 -9.0 0.01 0
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300446 121283285 1 OF3N4C27H35 AB3C4D27E35 -143.68 5.28 -8.43 -0.41 0
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300447 121283288 1 ON4F6C25H30 AB4C6D25E30 -319.65 5.07 -8.52 -1.01 0
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300448 121283339 1 O2F3N5C25H32 A2B3C5D25E32 -212.57 5.61 -8.8 -0.73 0
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300449 121283345 1 O2N4F5C28H31 A2B4C5D28E31 -265.61 5.38 -8.26 -0.86 0
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300450 121283389 1 O2F3N4C24H29 A2B3C4D24E29 -210.94 6.08 -8.57 -0.68 0
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300451 121283517 2 NOC8H12 ABC8D12 -109.26 2.13 -8.5 0.35 0
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300452 121283636 1 Cl2F2N2S2O3H14C22 A2B2C2D2E3F14G22 -149.51 2.75 -9.0 -1.46 0
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300453 121283715 1 O2N11C38H51 A2B11C38D51 66.14 4.86 -8.59 -0.61 0
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300454 121283723 1 O3N11C38H49 A3B11C38D49 42.68 4.71 -8.96 -1.14 0
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300455 121283724 2 ON3C12H15 AB3C12D15 -11.53 4.18 -8.74 -0.7 0
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300456 121283795 1 O2N5C11H13 A2B5C11D13 -8.36 5.3 -9.45 -1.24 0
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300457 121283798 1 ON3C13H19 AB3C13D19 -7.44 4.3 -8.17 0.38 0
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300458 121285136 1 ON4C18H18 AB4C18D18 86.46 7.45 -8.76 -0.98 0
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300460 121285140 1 ON3H29C47 AB3C29D47 201.33 4.08 -7.92 -0.86 0
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300461 121285141 1 N5H51C55 A5B51C55 155.35 2.87 -7.78 -0.88 0
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300464 121285144 1 ClN4O12C41H55 AB4C12D41E55 -519.86 9.2 -9.28 -0.6 0
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300465 121285146 2 NO2C12H15 AB2C12D15 -112.44 3.92 -8.56 -1.81 0
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300466 121286223 1 ClO3N8C26H29 AB3C8D26E29 70.36 4.07 -8.36 -1.42 0
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300467 121286227 1 O5N7C25H33 A5B7C25D33 -93.27 4.76 -8.03 -0.76 0
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300468 121286307 1 SF3N5H22C23 AB3C5D22E23 -59.65 6.81 -8.18 -1.41 0
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300469 121286598 1 ON7H11C14 AB7C11D14 164.98 2.03 -9.01 -1.45 0
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300470 121286611 1 O3N6H14C15 A3B6C14D15 95.22 2.6 -9.27 -1.45 0
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300471 121286617 1 ON7C8H9 AB7C8D9 103.12 1.59 -9.0 -1.65 0
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300472 121286626 1 BrNOC10H14 ABCD10E14 -34.63 4.34 -8.3 0.27 0
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300473 121286644 1 SO2N7C13H17 AB2C7D13E17 26.56 2.98 -9.1 -1.72 0
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300474 121290913 1 BrSN2H3C6 ABC2D3E6 75.06 3.42 -9.54 -1.65 0
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300475 121290966 1 ClN9C20H22 AB9C20D22 145.11 4.65 -8.49 -0.61 0