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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18524 542287 2 OC3H7 AB3C7 -115.85 0.71 -10.06 2.16 0
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18525 542292 1 O3C16H32 A3B16C32 -193.12 1.94 -9.94 0.65 0
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18526 542309 1 ClOSC5H11 ABCD5E11 -62.6 1.93 -9.1 0.05 0
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18527 542312 1 BrSO2H13C15 ABC2D13E15 -36.21 4.15 -9.46 -0.62 0
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18528 542316 1 O3C5H12 A3B5C12 -132.82 1.81 -9.9 1.45 0
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18529 542321 1 NO5C10H11 AB5C10D11 -87.86 7.28 -10.09 -1.43 0
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18531 542343 1 HgNO5F6C14H14 ABC5D6E14F14 -458.4 6.92 0.0 0.0 0
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18532 542368 3 OC3H6 AB3C6 -152.92 3.12 -9.79 0.49 0
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18533 542370 1 NO3C6H13 AB3C6D13 -146.21 5.16 -10.28 0.64 0
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18534 542389 1 N3O6H13C15 A3B6C13D15 -57.23 6.66 -9.7 -2.06 0
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18535 542422 1 O4C5H10 A4B5C10 -179.79 6.01 -10.69 0.56 0
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18536 542429 2 O2C7H10 A2B7C10 -143.27 3.11 -9.57 0.04 0
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18537 542463 2 OC5H7 AB5C7 -64.47 1.5 -8.86 0.28 0
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18538 542469 1 OC10H22 AB10C22 -99.66 2.05 -10.35 2.97 0
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18539 542471 1 O7C15H26 A7B15C26 -321.92 8.03 -9.74 0.03 0
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18540 542495 1 SCl2N2O2C8H10 AB2C2D2E8F10 -71.19 4.01 -9.14 -0.62 0
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18541 542558 1 BO6C16H23 AB6C16D23 -294.51 2.95 -9.43 -0.12 0
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18542 542561 1 O3C13H20 A3B13C20 -112.51 2.27 -9.16 0.53 0
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18543 542570 1 NO4C9H13 AB4C9D13 -147.0 4.56 -9.5 -0.2 0
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18544 542598 1 OSC8H10 ABC8D10 -15.34 2.42 -8.85 -0.27 0
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18545 542621 3 OC3H4 AB3C4 -100.62 1.68 -8.85 0.31 0
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18546 542635 1 NSO5C8H9 ABC5D8E9 -105.14 3.43 -11.08 -2.09 0
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18547 542646 2 O2C9H9 A2B9C9 -110.78 2.43 -8.61 -0.43 0
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18548 542650 2 OC7H8 AB7C8 -57.02 3.26 -8.82 -0.47 0
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18549 542700 2 HC2O2N4 AB2C2D4 183.04 5.56 -10.87 -3.92 0
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18550 542705 1 BClPS2C4H10 ABCD2E4F10 -41.53 5.7 0.0 0.0 0
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18551 542707 1 O2H3N5C12F18 A2B3C5D12E18 -860.38 4.01 -11.39 -2.53 0
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18552 542721 1 ClNS2F6 ABC2D6 -272.68 3.91 -10.5 -1.9 0
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18553 542741 1 NO4C10H19 AB4C10D19 -140.94 2.11 -9.0 0.7 0
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18554 542743 1 HSi4F9 AB4C9 -865.84 1.06 -9.64 -1.29 0
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18555 542757 1 BrClO2N3H5C6 ABC2D3E5F6 -38.37 1.25 -10.09 -1.25 0
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18556 542852 2 N3O4H9C14 A3B4C9D14 -17.0 2.63 -8.85 -2.45 0
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18557 542855 1 NSeC6H7 ABC6D7 34.55 2.21 -8.69 -0.46 0
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18558 542861 1 IC3H3F4 AB3C3D4 -196.35 0.73 -10.24 -1.58 0
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18559 542868 1 CrO4C8H8 AB4C8D8 71.63 2.62 -7.14 0.32 0
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18560 542880 3 NOC3H3 ABC3D3 -8.48 4.07 -9.22 -1.3 0
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18561 542886 1 CrO5H6C13 AB5C6D13 -12.21 2.4 -7.42 -1.04 0
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18562 542898 1 Cl2S2N3O3H9C14 A2B2C3D3E9F14 -51.54 7.29 -9.55 -1.5 0
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18563 542899 1 ON3H11C13 AB3C11D13 32.3 2.06 -8.1 -0.49 0
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18564 542901 1 NOC6H7 ABC6D7 27.49 3.65 -9.62 0.06 0
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18565 542911 1 CrO4H6C11 AB4C6D11 -63.07 3.06 -8.22 -0.07 0
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18566 542932 1 CrFO3H7C10 ABC3D7E10 -25.27 3.11 -7.76 -0.11 0
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18567 542944 1 H5N5O5C6 A5B5C5D6 29.75 1.44 -11.25 -1.76 0
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18568 542948 2 C5H6 A5B6 23.69 0.24 -8.8 0.67 -6
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18569 542960 1 CrO4H12C13 AB4C12D13 -252.11 4.74 -9.51 -0.99 0
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18570 542961 1 OC10H12 AB10C12 -18.62 2.87 -9.49 0.1 -6
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18571 542962 1 CrC12H13 AB12C13 168.04 2.23 0.0 0.0 -11
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18572 543038 1 O2C7H10 A2B7C10 -49.84 2.23 -10.94 -0.05 0
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18573 543108 1 NF3C5H6 AB3C5D6 -150.71 4.72 -12.58 0.91 0
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18574 543111 1 N2O2C9H12 A2B2C9D12 -0.78 3.96 -11.31 0.12 0
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18575 543153 1 OC8H12 AB8C12 -39.75 3.44 -9.87 0.55 0
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18576 543175 1 H2C4O5N6 A2B4C5D6 78.21 5.64 -10.38 -2.07 0
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18577 543177 1 OSi2C4Cl4H6 AB2C4D4E6 -259.2 2.54 -9.44 -0.55 0
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18578 543235 1 O3C10H14 A3B10C14 -132.31 2.45 -10.05 0.48 0
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18579 543255 1 IO2C5H7 AB2C5D7 -79.37 4.18 -10.32 -1.43 0
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18580 543388 2 OC8H15 AB8C15 -139.2 5.63 -9.69 0.76 0
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18581 543441 1 OC12H20 AB12C20 -32.92 3.05 -9.57 1.37 0
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18582 543443 1 O3C23H38 A3B23C38 -204.05 4.27 -10.26 0.98 0
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18583 543452 1 C15H26 A15B26 -40.23 0.08 -9.39 1.49 0
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18584 543463 2 C11H21 A11B21 -94.54 0.11 -10.36 4.05 0
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18585 543482 2 C6H11 A6B11 -15.9 0.52 -9.49 1.29 0
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18586 543543 2 OC10H18 AB10C18 -154.71 2.74 -9.76 0.65 0
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18587 543586 2 SC16H26 AB16C26 -64.39 0.7 -8.44 0.32 0
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18588 543591 1 O7C23H30 A7B23C30 -288.51 8.99 -10.12 -0.46 0
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18589 543635 1 OC10H18 AB10C18 -57.51 2.97 -9.78 0.64 0
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18590 543659 1 O3C10H12 A3B10C12 -99.88 0.74 -9.99 -1.77 0
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18591 543683 12 CH2 AB2 -41.01 0.15 -9.5 1.44 0
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18592 543771 2 OC10H18 AB10C18 -136.11 1.84 -9.46 0.84 0
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18593 543799 1 OC12H24 AB12C24 -85.26 1.29 -9.11 1.59 0
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18594 543805 1 ClC11H21 AB11C21 -39.87 2.21 -10.0 0.93 0
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18595 543806 1 SeO4C20H38 AB4C20D38 -249.43 4.99 -8.37 0.15 0
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18596 543842 1 SO2C10H20 AB2C10D20 -126.59 6.25 -10.75 0.98 0
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18597 543854 1 O2C15H28 A2B15C28 -129.69 5.57 -10.66 0.61 0
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18598 543857 1 O2C19H36 A2B19C36 -148.31 5.32 -9.98 0.71 0
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18599 543858 1 SO2C10H20 AB2C10D20 -124.37 5.56 -10.5 0.95 0
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18600 543868 1 OC27H44 AB27C44 -99.56 2.16 -9.17 1.38 0
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18601 543882 1 OC6H12 AB6C12 -45.67 2.61 -9.63 2.15 0
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18602 543925 1 SiO3C11H20 AB3C11D20 -178.2 5.81 -9.22 -0.67 0
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18603 544025 1 NO2C9H15 AB2C9D15 -23.02 2.44 -9.41 0.2 0
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18604 544046 1 OC13H22 AB13C22 -46.05 2.87 -9.99 0.72 0
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18605 544052 2 OC5H9 AB5C9 -114.39 1.91 -10.67 0.85 0
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18606 544055 12 CH2 AB2 -54.93 0.08 -10.6 3.85 0
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18607 544133 1 SiO2C10H24 AB2C10D24 -171.85 2.28 -9.61 1.54 0
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18608 544284 1 OC12H22 AB12C22 -70.52 4.41 -9.91 -0.14 0
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18609 544380 1 NOC8H15 ABC8D15 -60.16 3.05 -8.8 2.63 0
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18610 544414 1 BrOSC11H13 ABCD11E13 -30.78 1.49 -9.03 -0.28 0
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18611 544461 1 O2C17H24 A2B17C24 -72.23 4.82 -9.76 -0.26 0
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18612 544513 1 NPSO2C18H22 ABCD2E18F22 -123.51 4.5 -9.24 -0.13 0
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18613 544543 1 NO2C8H15 AB2C8D15 -112.97 6.41 -9.53 0.96 0
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18614 544564 1 O3C7H10 A3B7C10 -106.58 5.55 -10.81 0.44 0
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18615 544572 1 F3O3C8H11 A3B3C8D11 -301.52 3.67 -10.68 -0.19 0
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18616 544579 1 N2C11H22 A2B11C22 1.83 1.84 -8.81 2.5 0
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18617 544606 1 NSO4C7H15 ABC4D7E15 -149.52 4.47 -9.47 0.2 0
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18618 544667 11 CH2 AB2 -35.45 0.07 -9.39 1.48 0
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18619 544674 1 NO3C7H11 AB3C7D11 -94.84 2.93 -9.63 0.25 0
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18620 544680 1 O3N4C8H12 A3B4C8D12 -111.15 6.93 -9.03 -0.61 0
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18621 544682 1 ClNO2C14H16 ABC2D14E16 -79.16 2.92 -9.47 -0.86 0
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18622 544684 1 FN3O3C14H18 AB3C3D14E18 -78.73 7.16 -9.06 -1.3 0
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18624 544724 18 CH2 AB2 -73.16 0.47 -9.07 1.58 0
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18625 544729 1 NOC4H9 ABC4D9 -48.8 1.81 -9.74 2.0 0