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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335533 127254395 3 NOC9H11 ABC9D11 -64.9 5.65 -8.21 0.05 0
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335534 127254396 1 N3O4H17C18 A3B4C17D18 -65.38 6.42 -9.18 -0.73 0
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335535 127254397 1 SO2N3C9H13 AB2C3D9E13 -38.51 4.2 -8.7 -0.06 0
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335536 127254398 1 N3O5C27H31 A3B5C27D31 -165.49 2.94 -8.83 -0.96 0
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335537 127254399 2 ON2H7C8 AB2C7D8 36.24 4.67 -9.12 -1.06 0
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335538 127254400 1 FNO5H24C35 ABC5D24E35 -97.62 5.07 -8.91 -1.48 0
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335539 127254401 1 SO3N5C19H29 AB3C5D19E29 -94.65 7.88 -8.67 -0.18 0
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335540 127254402 1 N2O4H22C23 A2B4C22D23 -94.15 5.04 -8.78 -1.56 0
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335541 127254403 1 FNO5H28C36 ABC5D28E36 -43.27 5.82 -8.87 -1.3 0
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335542 127254404 1 OF3N8C13H17 AB3C8D13E17 -76.7 6.44 -10.85 -1.02 0
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335543 127254405 1 BrN2O4H25C34 AB2C4D25E34 40.76 3.48 -8.62 -0.85 0
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335544 127254406 1 BrClNO3H21C33 ABCD3E21F33 28.67 5.08 -8.5 -1.46 0
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335545 127254407 1 O2N5C26H35 A2B5C26D35 -31.66 4.9 -9.04 -0.65 0
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335546 127254408 1 N2O2F3C22H27 A2B2C3D22E27 -229.42 3.3 -8.78 -0.69 0
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335547 127254409 1 OS2N8C18H20 AB2C8D18E20 124.1 4.99 -8.41 -1.51 0
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335548 127254410 1 N3O4H15C20 A3B4C15D20 -26.57 2.94 -9.04 -0.94 0
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335549 127254411 1 ClN2O4C15H15 AB2C4D15E15 -116.11 1.84 -8.78 -1.18 0
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335550 127254412 1 SO2F3N5C18H18 AB2C3D5E18F18 -155.41 5.91 -9.01 -0.97 -2
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335552 127254414 1 SN3O3C25H31 AB3C3D25E31 -75.1 3.73 -8.38 -0.66 0
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335553 127254415 1 N2O3C16H16 A2B3C16D16 -62.22 5.03 -8.66 -0.6 0
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335554 127254416 1 N5O5C26H29 A5B5C26D29 -123.05 2.7 -8.78 -0.36 0
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335555 127254417 1 O3N5C15H25 A3B5C15D25 -87.24 10.2 -10.12 -0.22 0
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335556 127254418 1 ClN2O4C18H19 AB2C4D18E19 -125.15 1.74 -8.74 -0.88 0
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335557 127254419 1 SO3N4C20H22 AB3C4D20E22 -57.33 9.27 -8.01 -0.38 0
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335558 127254420 1 NCl2O3H23C34 AB2C3D23E34 4.67 4.36 -8.53 -1.43 0
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335559 127254421 1 SO3N5H19C22 AB3C5D19E22 -14.91 3.0 -9.5 -1.28 0
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335560 127254422 1 SO4N5H19C23 AB4C5D19E23 -73.85 10.61 -9.03 -1.52 0
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335561 127254423 1 NOSeC15H19 ABCD15E19 3.33 0.98 -8.48 0.13 0
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335562 127254424 1 SO2N7C16H19 AB2C7D16E19 27.29 7.13 -8.85 -1.03 0
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335563 127254425 1 ON5C12H17 AB5C12D17 29.22 5.13 -8.92 -0.1 0
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335564 127254426 1 OSN4C20H20 ABC4D20E20 55.08 5.01 -8.32 -1.02 0
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335565 127254427 1 N3O3C18H19 A3B3C18D19 -56.75 6.04 -8.36 -0.79 0
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335566 127254428 1 O2N5C15H17 A2B5C15D17 16.31 4.8 -8.28 -0.87 0
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335567 127254429 1 O2N4C21H24 A2B4C21D24 -7.7 1.43 -8.8 -0.7 0
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335568 127254430 1 FNO6H28C36 ABC6D28E36 -68.62 4.37 -8.78 -1.21 0
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335569 127254431 1 N2O5C10H12 A2B5C10D12 -168.15 5.32 -8.65 -0.86 0
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335570 127254432 1 ClOSN3C14H14 ABCD3E14F14 13.43 4.84 -8.69 -0.58 0
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335571 127254433 1 FNO5H26C35 ABC5D26E35 -96.03 4.91 -8.37 -1.42 0
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335572 127254434 1 SN3O3C22H23 AB3C3D22E23 -57.02 3.62 -8.75 -0.72 0
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335573 127254435 1 N2O3C21H28 A2B3C21D28 -95.05 5.8 -8.28 0.02 0
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335574 127254436 1 O2N5C23H29 A2B5C23D29 -9.55 4.43 -8.72 -0.9 0
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335575 127254437 1 FO3N4H13C19 AB3C4D13E19 -86.99 4.92 -8.41 -1.32 0
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335576 127254438 1 ON3C22H23 AB3C22D23 16.72 4.93 -8.37 -0.35 0
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335577 127254439 1 F2N4O4H12C15 A2B4C4D12E15 -211.95 3.51 -9.14 -0.94 0
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335578 127254440 1 SO2N4C17H18 AB2C4D17E18 -20.4 4.08 -8.7 -0.79 0
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335579 127254441 1 ON5C23H25 AB5C23D25 59.29 10.06 -8.17 -1.03 0
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335580 127254442 1 ON5C15H23 AB5C15D23 4.5 6.74 -8.56 0.19 0
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335581 127254443 1 SN2O3C11H14 AB2C3D11E14 -84.69 5.94 -8.73 -0.67 0
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335582 127254444 1 ClNO5H28C36 ABC5D28E36 -3.17 5.81 -8.5 -1.33 0
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335583 127254445 1 FOS2N3C16H16 ABC2D3E16F16 -8.16 4.03 -8.76 -1.06 0