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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407724 135080479 1 FNSO2C11H14 ABCD2E11F14 -96.82 5.77 -10.03 -0.56 0
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407725 135080480 1 PN2O3C10H17 AB2C3D10E17 -143.25 3.28 -9.06 0.11 0
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407726 135080481 1 ClN3H8C9 AB3C8D9 68.28 3.85 -9.24 -0.75 0
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407727 135080482 1 ClFOC7H14 ABCD7E14 -137.25 2.25 -10.72 0.66 0
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407728 135080483 1 N3H8C9 A3B8C9 113.59 3.16 0.0 0.0 0
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407729 135080484 1 O4C11H20 A4B11C20 -202.01 1.58 -9.98 0.69 0
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407730 135080485 1 ClOC11H13 ABC11D13 -13.5 3.65 -9.62 -0.24 0
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407731 135080486 1 SiO2C14H30 AB2C14D30 -191.8 2.95 -8.8 0.66 0
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407732 135080487 1 O3C14H14 A3B14C14 -60.76 4.63 -10.18 -1.03 0
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407733 135080488 1 SO4C12H14 AB4C12D14 -151.45 3.95 -9.79 -0.03 0
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407734 135080489 1 ClSO2H7C9 ABC2D7E9 -18.74 7.73 -10.2 -0.66 0
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407735 135080490 1 NO2H11C12 AB2C11D12 -30.24 5.46 -8.27 -0.84 0
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407736 135080491 1 SO2H12C14 AB2C12D14 -43.95 1.08 -8.6 -0.8 0
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407737 135080492 1 OSSeC11H14 ABCD11E14 3.66 2.07 -8.14 0.09 0
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407738 135080493 1 NOC13H17 ABC13D17 1.43 2.87 -9.08 -0.3 0
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407739 135080494 1 O3C11H22 A3B11C22 -185.31 3.14 -10.58 0.86 0
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407740 135080495 1 O3C12H20 A3B12C20 -133.0 3.36 -10.4 0.85 0
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407741 135080496 1 NO2C10H21 AB2C10D21 -90.63 3.21 -9.25 0.63 0
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407742 135080497 1 ON2C9H10 AB2C9D10 8.55 3.01 -8.32 -0.18 0
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407743 135080498 1 Cl2O2C7H10 A2B2C7D10 -107.27 1.3 -11.0 -0.9 0
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407744 135080499 1 SiC15H24 AB15C24 -26.03 0.56 -8.74 0.27 0
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407745 135080500 1 O2F3C11H11 A2B3C11D11 -200.96 4.39 -9.09 -0.15 0
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407746 135080501 1 FO2C10H17 AB2C10D17 -151.7 0.52 -10.34 0.51 0
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407747 135080502 1 FOC8H13 ABC8D13 -90.48 2.75 -9.59 0.82 0
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407748 135080503 1 SO2C11H12 AB2C11D12 -49.21 4.99 -9.38 -0.68 0
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407749 135080504 1 FO4C10H17 AB4C10D17 -251.91 1.8 -10.75 0.25 0
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407750 135080505 1 FN2O2C9H11 AB2C2D9E11 -77.27 5.04 -9.83 0.03 0
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407751 135080506 1 NSO4C9H13 ABC4D9E13 -137.94 6.19 -8.9 -0.14 0
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407752 135080507 1 NSO2C11H23 ABC2D11E23 -102.16 3.18 -8.16 0.73 0
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407753 135080508 1 FON2C12H13 ABC2D12E13 -72.02 3.86 -8.57 0.06 0
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407754 135080509 1 O2C11H16 A2B11C16 -97.7 3.73 -9.2 0.1 0
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407755 135080510 1 F2O2H12C13 A2B2C12D13 -159.71 3.01 -9.74 -0.45 0
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407756 135080511 1 OSN2C10H10 ABC2D10E10 19.94 1.34 -8.38 -0.58 0
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407757 135080512 1 ON3C10H11 AB3C10D11 24.7 4.97 -8.57 -0.33 0
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407758 135080513 2 O2C4H7 A2B4C7 -201.9 4.29 -10.42 0.69 0
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407759 135080514 1 O2C9H18 A2B9C18 -97.28 4.51 -9.87 2.42 0
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407760 135080515 2 NOC6H8 ABC6D8 -41.9 2.74 -9.17 -0.94 0
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407761 135080516 1 NO3C12H15 AB3C12D15 -87.94 1.8 -8.57 -0.74 0
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407762 135080517 1 NO2C13H15 AB2C13D15 -55.72 5.0 -8.82 -0.12 0
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407763 135080518 1 PO2C11H15 AB2C11D15 -124.95 4.14 -9.57 -0.04 0
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407764 135080519 1 SC13H14 AB13C14 77.99 1.46 -8.16 -0.33 0
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407765 135080520 2 NC6H6 AB6C6 71.07 7.31 -8.32 -0.82 0
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407766 135080521 1 OC16H20 AB16C20 -18.81 2.66 -9.13 0.01 1
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407767 135080522 1 BPO2C8H17 ABC2D8E17 -14.72 3.31 0.0 0.0 0
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407768 135080523 1 OS2C12H16 AB2C12D16 -9.82 4.12 -8.33 0.32 0
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407769 135080524 2 OSC5H10 ABC5D10 -97.66 4.44 -8.68 0.1 0
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407770 135080525 1 BO4C13H25 AB4C13D25 -293.42 3.88 -10.26 1.14 0
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407771 135080526 1 NO2C10H17 AB2C10D17 -96.99 2.71 -9.88 -0.3 0
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407772 135080527 1 N2O3C11H12 A2B3C11D12 -77.68 11.41 -8.28 -1.15 0
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407773 135080528 1 BBrO2C14H18 ABC2D14E18 -138.52 2.31 -9.21 -0.04 0
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407774 135080529 1 OCl2C6H12 AB2C6D12 -97.53 2.01 -10.65 -0.06 0
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407775 135080530 1 O3H5N5C7 A3B5C5D7 47.19 8.03 -10.05 -1.48 1
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407776 135080531 1 O3N5H6C7 A3B5C6D7 49.9 5.15 0.0 0.0 0
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407777 135080532 1 NSO4C8H17 ABC4D8E17 -170.6 17.99 -9.62 -0.36 0
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407778 135080533 1 FSiO2C12H25 ABC2D12E25 -196.22 1.89 -8.93 1.1 0
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407779 135080534 1 FOC12H17 ABC12D17 -103.77 3.58 -9.62 0.18 0
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407781 135080536 2 NC7H7 AB7C7 95.5 2.19 -8.76 -0.34 0
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407782 135080537 1 FO2C10H13 AB2C10D13 -120.37 2.51 -9.13 0.05 0
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407783 135080538 1 O3C12H20 A3B12C20 -161.5 2.06 -9.82 0.49 0
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407784 135080539 1 NO4H7C9 AB4C7D9 -55.82 4.0 -10.1 -0.52 0
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407785 135080540 1 ClFSO2N3H7C10 ABCD2E3F7G10 -53.92 6.15 -9.06 -1.6 0
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407786 135080541 1 NO3C13H15 AB3C13D15 -96.35 4.32 -8.81 -0.07 0
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407787 135080542 1 NO4C7H9 AB4C7D9 -151.21 4.01 -10.52 -0.72 0
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407788 135080543 2 BrOC6H10 ABC6D10 -97.7 2.53 -10.11 -0.66 1
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407789 135080544 1 PO4C8H10 AB4C8D10 -142.37 5.39 0.0 0.0 0
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407790 135080545 1 PN2O4C10H17 AB2C4D10E17 -205.85 2.38 -9.87 -0.7 0
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407791 135080546 1 ON4C12H14 AB4C12D14 1.35 3.77 -8.37 -0.26 0
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407792 135080547 1 NOC13H15 ABC13D15 -9.06 4.09 -8.62 0.18 0
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407793 135080548 1 ClSC11H13 ABC11D13 17.43 3.16 -8.5 -0.15 0
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407794 135080549 1 OC11H18 AB11C18 -45.63 1.78 -9.24 1.18 0
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407795 135080550 1 SiC12H26 AB12C26 -53.82 0.95 -8.63 1.26 0
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407796 135080551 1 N2C11H16 A2B11C16 52.02 1.92 -9.07 -0.06 0
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407797 135080552 1 NO2C13H21 AB2C13D21 -107.55 2.25 -9.56 0.16 0
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407798 135080553 1 FNOC13H18 ABCD13E18 -85.4 1.53 -7.99 0.2 0
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407799 135080554 1 ClO2F3C9H10 AB2C3D9E10 -233.22 3.48 -8.97 0.09 0