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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400560 135048323 1 NSO7C27H37 ABC7D27E37 -207.38 13.69 -8.85 -2.34 1
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400561 135048324 1 NO4C20H30 AB4C20D30 -104.75 3.74 0.0 0.0 0
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400562 135048338 1 BLiC4H9 ABC4D9 90.25 0.95 0.0 0.0 0
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400563 135048345 1 BBr2C3H5 AB2C3D5 -34.07 3.51 -10.31 -1.32 0
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400564 135048349 1 BBrC13H24 ABC13D24 -67.98 2.78 -9.53 0.24 -1
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400565 135048372 1 BSC22H42 ABC22D42 -42.9 0.72 0.0 0.0 0
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400566 135048378 1 BLiC20H32 ABC20D32 -14.27 6.32 -8.46 0.37 0
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400567 135048380 1 BC27H57 AB27C57 -145.93 0.24 -9.76 0.85 0
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400568 135048381 1 BO6C39H75 AB6C39D75 -432.42 2.42 -9.88 0.76 0
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400569 135048382 1 BOC14H21 ABC14D21 -74.62 1.72 -8.82 0.51 0
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400570 135048383 1 BLiOC20H36 ABCD20E36 -74.0 12.06 -7.17 1.8 -1
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400571 135048384 1 BOC20H36 ABC20D36 -47.85 6.83 0.0 0.0 0
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400572 135048385 2 BNC13H20 ABC13D20 18.94 1.62 -8.61 0.6 0
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400573 135048386 1 BCl2H13C15 AB2C13D15 6.44 2.74 -9.11 -0.51 0
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400574 135048387 1 BO5H13C15 AB5C13D15 -221.93 5.12 -9.34 -0.32 0
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400575 135048388 1 BOC22H35 ABC22D35 -111.02 0.32 -8.8 0.33 0
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400576 135048392 1 BLiC16H28 ABC16D28 -45.32 7.71 -7.99 1.19 -1
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400577 135048393 1 BC16H28 AB16C28 -23.77 1.04 0.0 0.0 0
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400578 135048394 1 BO5C16H27 AB5C16D27 -290.21 3.55 -8.72 0.78 0
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400579 135048395 1 BNC35H48 ABC35D48 30.03 0.95 -7.92 0.1 0
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400580 135048396 1 BNC36H48 ABC36D48 45.76 2.14 -8.65 -0.2 0
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400581 135048397 1 O3C17H22 A3B17C22 -71.3 3.81 -8.48 -0.07 0
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400582 135048399 1 N2O5C30H44 A2B5C30D44 -171.56 2.36 -8.03 0.07 0
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400583 135048404 1 BC16H27 AB16C27 -45.11 0.47 -9.27 0.77 0
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400584 135048406 1 SB2O3C27H42 AB2C3D27E42 -194.98 5.2 -8.98 -0.59 0
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400585 135048425 1 N2O2C15H22 A2B2C15D22 -45.55 4.49 -8.56 0.22 0
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400586 135048428 1 AlLiN4C20H24 ABC4D20E24 23.8 5.91 -7.51 0.35 -1
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400587 135048429 1 AlN4C20H24 AB4C20D24 73.06 7.64 0.0 0.0 0
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400588 135048430 1 N2O9C30H32 A2B9C30D32 -288.05 7.99 -8.76 -0.56 0
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400589 135048431 2 NSiO5C21H30 ABC5D21E30 -455.11 3.54 -8.86 -0.51 0
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400590 135048432 2 O2C10H19 A2B10C19 -240.31 4.19 -9.9 0.45 0
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400591 135048433 1 BLiSC16H30 ABCD16E30 -54.6 6.32 -8.36 0.04 -1
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400592 135048434 1 BSC16H30 ABC16D30 -22.48 1.02 0.0 0.0 0
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400593 135048435 1 ClN2O3H21C26 AB2C3D21E26 -47.65 2.23 -8.7 -0.41 0
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400594 135048436 1 BC24H39 AB24C39 -20.02 1.04 -8.96 0.58 0
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400595 135048437 1 BLiC23H32 ABC23D32 1.15 8.6 -8.63 0.05 -1
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400596 135048438 1 BC23H32 AB23C32 40.55 0.44 0.0 0.0 0
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400597 135048440 1 BO2C32H63 AB2C32D63 -218.31 1.81 -8.74 0.66 0
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400598 135048447 1 BO4C15H27 AB4C15D27 -127.86 0.58 -9.34 -0.57 0
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400599 135048450 1 BC17H33 AB17C33 -42.2 1.06 -9.55 0.59 0
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400600 135048451 1 BOC22H43 ABC22D43 -160.71 1.24 -9.47 1.07 0
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400601 135048452 1 BClNO2C24H41 ABCD2E24F41 -219.82 7.37 -10.25 0.69 0
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400602 135048463 2 BNC12H18 ABC12D18 34.64 0.72 -8.75 0.48 0
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400604 135048477 1 BC14H25 AB14C25 -56.6 0.53 -9.51 0.82 0
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400605 135048478 1 BO2C30H51 AB2C30D51 -148.88 1.56 -9.04 0.53 0
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400606 135048486 1 BC21H33 AB21C33 -26.28 0.25 -9.43 0.47 0
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400608 135048505 1 NSO5C18H25 ABC5D18E25 -211.42 2.14 -9.83 -1.28 0
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400609 135048506 1 BLiC18H36 ABC18D36 -78.9 6.82 -8.5 2.18 -1
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400610 135048507 1 BC18H36 AB18C36 -31.14 0.66 0.0 0.0 0
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400611 135048508 1 BC15H25 AB15C25 -41.23 0.54 -9.52 0.77 0
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400612 135048509 1 BC15H25 AB15C25 -42.05 0.35 -9.29 0.72 0
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400613 135048510 1 BLiC19H38 ABC19D38 -77.6 7.04 -8.46 2.07 -1
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400614 135048511 1 BC19H38 AB19C38 -31.12 1.01 0.0 0.0 0
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400615 135048512 1 BBrO3C35H40 ABC3D35E40 -1.78 3.82 -6.82 -0.21 0
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400616 135048513 1 BC15H29 AB15C29 -70.49 0.36 -9.19 0.8 0
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400617 135048515 1 BBrC13H22 ABC13D22 -63.23 2.49 -9.44 -0.27 0
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400618 135048517 1 BClLiC14H23 ABCD14E23 -44.81 7.75 -8.53 0.42 0
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400619 135048519 1 NOSiC25H27 ABCD25E27 -12.96 2.6 -8.61 -0.1 0
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400620 135048520 1 LiON2C11H11 ABC2D11E11 50.4 8.92 -8.06 0.21 0
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400621 135048521 1 ON2C11H12 AB2C11D12 56.52 3.89 -9.16 -0.65 0
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400622 135048522 1 BCl2C20H35 AB2C20D35 -90.32 3.18 -9.47 -0.06 0
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400623 135048526 1 OPH21C22 ABC21D22 -12.35 4.42 -9.0 0.05 0
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400624 135048527 1 SO4C21H30 AB4C21D30 -171.87 6.16 -8.48 -0.16 0
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400625 135048529 1 N2O5C31H46 A2B5C31D46 -176.9 4.39 -8.04 0.26 0
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400626 135048540 1 BLiNC23H45 ABCD23E45 -99.63 6.45 -8.07 1.69 0
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400627 135048547 1 BO4C18H33 AB4C18D33 -152.24 1.0 -9.36 0.13 0
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400629 135048551 1 BBrC27H54 ABC27D54 -143.36 2.03 -8.77 -0.05 0
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400630 135048552 1 NSnC18H35 ABC18D35 -8.94 3.84 -9.5 0.92 0
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400631 135048553 1 BClC23H38 ABC23D38 -34.37 2.15 -9.38 0.22 0
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400632 135048554 1 BC6H9 AB6C9 72.76 0.76 -7.92 0.61 0
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400633 135048555 1 N2O3C13H24 A2B3C13D24 -126.86 0.81 -8.58 0.8 -1
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400634 135048559 1 BSC16H30 ABC16D30 -16.18 0.25 0.0 0.0 0
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400635 135048560 1 BNO2C21H34 ABC2D21E34 -120.04 3.0 -9.27 0.08 0
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400636 135048561 1 BC18H31 AB18C31 -53.0 1.56 -9.07 0.88 0
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400637 135048562 1 BLiOC17H28 ABCD17E28 -62.99 6.95 -7.49 2.0 0