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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393661 135021448 1 SO2N3H13C17 AB2C3D13E17 83.65 8.14 -9.12 -1.41 0
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393662 135021449 1 SO2N3H13C17 AB2C3D13E17 84.41 7.61 -9.05 -1.39 0
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393663 135021450 1 SN2H16C18 AB2C16D18 79.51 1.62 -8.83 -0.64 1
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393664 135021452 1 NC24H26 AB24C26 73.23 1.34 0.0 0.0 0
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393665 135021453 2 O2C7H11 A2B7C11 -172.56 1.95 -8.78 0.22 0
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393666 135021454 1 ON2H16C17 AB2C16D17 34.8 2.32 -8.13 -0.09 0
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393667 135021455 1 N2O4H14C17 A2B4C14D17 -5.16 8.55 -9.86 -1.15 0
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393668 135021456 1 O2N3H17C20 A2B3C17D20 71.81 5.7 -8.85 -0.99 0
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393669 135021457 1 NO5H25C28 AB5C25D28 -91.03 2.98 -9.06 -1.42 0
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393670 135021458 1 NO3H17C22 AB3C17D22 -34.0 3.64 -9.06 -1.2 0
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393671 135021459 1 ClNO3H14C21 ABC3D14E21 -34.68 3.72 -9.33 -1.29 0
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393672 135021460 1 FNO3H14C21 ABC3D14E21 -73.02 3.76 -9.3 -1.27 0
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393673 135021461 1 N2O5H14C21 A2B5C14D21 -27.78 6.26 -9.55 -1.86 0
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393674 135021462 1 FN2O5H13C21 AB2C5D13E21 -75.84 5.92 -9.66 -1.88 0
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393675 135021463 1 NO3F4H13C22 AB3C4D13E22 -229.97 7.76 -9.82 -1.31 0
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393676 135021464 1 NO3F4H13C22 AB3C4D13E22 -234.65 4.46 -9.7 -1.47 0
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393677 135021465 1 N2F3O5H13C22 A2B3C5D13E22 -189.18 4.25 -9.95 -1.98 0
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393678 135021466 1 N2F4O5H12C22 A2B4C5D12E22 -230.96 1.58 -10.27 -2.2 0
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393679 135021467 1 NO3F4H13C22 AB3C4D13E22 -234.51 3.91 -9.53 -1.44 0
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393680 135021468 1 NSO4H21C24 ABC4D21E24 -96.83 6.12 -9.09 -0.64 0
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393681 135021469 1 NSO5H29C32 ABC5D29E32 -117.47 7.01 -8.57 -0.56 0
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393682 135021470 1 SN2F3O4H17C20 AB2C3D4E17F20 -257.29 5.86 -9.38 -0.93 0
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393683 135021472 1 N3H25C27 A3B25C27 161.31 5.73 -8.78 -0.93 0
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393684 135021473 1 ON3H19C24 AB3C19D24 144.68 5.74 -8.81 -0.9 0
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393685 135021474 1 N3H15C19 A3B15C19 176.57 5.65 -8.9 -0.92 0
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393686 135021475 1 N3C19H25 A3B19C25 91.22 5.72 -9.21 -0.19 0
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393687 135021476 1 N3C23H29 A3B23C29 75.45 5.79 -9.13 -0.14 0
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393688 135021477 1 O2N3H25C27 A2B3C25D27 106.36 6.93 -9.17 -0.7 0
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393689 135021478 1 O2N4H16C23 A2B4C16D23 181.49 7.55 -9.08 -1.61 0
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393690 135021479 1 SiO4C19H30 AB4C19D30 -207.17 3.07 -8.7 -0.02 0
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393691 135021481 1 NOSiC15H27 ABCD15E27 -68.19 2.05 -8.2 0.46 0
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393692 135021482 1 NO4H17C19 AB4C17D19 -105.73 5.37 -8.96 -0.43 0
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393693 135021483 1 NO4C20H21 AB4C20D21 -117.59 7.19 -8.54 -0.12 0
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393694 135021484 1 NO4H19C20 AB4C19D20 -121.81 6.02 -9.67 -0.16 0
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393695 135021488 1 NO2C17H21 AB2C17D21 -91.92 5.52 -9.52 -0.01 0
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393696 135021489 1 N2O6C15H30 A2B6C15D30 -277.14 3.46 -9.36 0.59 0
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393697 135021490 1 N2S2O9C37H70 A2B2C9D37E70 -505.12 5.68 -8.94 -0.91 0
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393698 135021491 1 SN2O7C17H32 AB2C7D17E32 -325.26 2.6 -8.91 0.16 1
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393699 135021492 1 ClNPH20C24 ABCD20E24 107.0 7.88 0.0 0.0 0
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393700 135021493 4 OH3C4 AB3C4 -97.13 2.51 -8.89 -1.04 0
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393701 135021494 1 SO3C14H16 AB3C14D16 -114.27 3.05 -8.49 -1.06 0
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393702 135021495 1 SiO2C26H28 AB2C26D28 -32.92 2.19 -9.11 -0.12 0
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393703 135021496 1 SiO4C15H32 AB4C15D32 -278.43 2.15 -8.98 1.09 0
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393704 135021497 1 SiO5C23H44 AB5C23D44 -332.04 1.4 -8.72 -0.38 0
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393705 135021498 1 NO3C13H17 AB3C13D17 -116.02 5.23 -10.35 0.07 0
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393706 135021499 1 OPN2H17C21 ABC2D17E21 72.8 5.12 -9.17 -0.86 0
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393707 135021500 1 PN2O2H17C21 AB2C2D17E21 39.92 3.07 -8.97 -0.71 0
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393708 135021501 1 PN2O2H17C21 AB2C2D17E21 43.59 4.57 -9.01 -0.75 0
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393709 135021502 1 OPN3H20C22 ABC3D20E22 81.73 5.88 -8.48 -0.77 0
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393710 135021503 1 OPN2F3H14C21 ABC2D3E14F21 -79.77 4.68 -9.12 -1.52 0
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393711 135021545 1 O2C15H18 A2B15C18 -26.06 2.66 -9.58 0.14 0
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393712 135021546 2 N2O2C10H19 A2B2C10D19 -204.8 3.62 -8.63 0.75 0
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393713 135021548 1 IO5H21C23 AB5C21D23 -120.45 5.22 -8.59 -1.25 0
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393714 135021551 1 S2O5C21H30 A2B5C21D30 -208.5 5.38 -9.0 -0.68 0
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393715 135021553 2 ClMnNO5C8H9 ABCD5E8F9 -140.13 9.92 -5.24 -3.68 0
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393716 135021554 1 ORhC5H10 ABC5D10 -47.38 1.45 0.0 0.0 1
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393717 135021556 3 H7C9 A7B9 138.52 0.14 0.0 0.0 0
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393718 135021557 1 H26C27 A26B27 70.83 0.94 -9.12 0.35 0
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393719 135021559 1 SeN2O3H18C22 AB2C3D18E22 27.62 5.95 -8.82 -1.01 0
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393720 135021560 2 NOF3H5C7 ABC3D5E7 -317.18 6.25 -8.54 -1.35 -1
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393721 135021561 1 YN2C19H21 AB2C19D21 115.99 7.82 -5.29 -0.86 0
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393722 135021562 1 N2C19H22 A2B19C22 52.93 3.42 -9.07 -0.53 0
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393723 135021563 1 BSiC16H28 ABC16D28 27.74 1.33 0.0 0.0 0
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393724 135021564 2 NO2H16C20 AB2C16D20 126.29 13.83 -8.53 -1.46 0
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393725 135021565 1 NO2H29C34 AB2C29D34 124.88 7.49 -8.75 -1.3 0
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393726 135021566 2 H13C14 A13B14 138.39 1.27 -8.5 -0.78 0
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393727 135021567 1 NO2H29C34 AB2C29D34 125.49 7.33 -9.09 -1.24 0
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393728 135021568 2 NO2H16C20 AB2C16D20 112.25 1.11 -9.29 -1.39 1
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393729 135021569 1 NO2C13H16 AB2C13D16 -44.09 3.31 0.0 0.0 0
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393730 135021570 1 BrNSO3H18C24 ABCD3E18F24 -11.59 4.45 -9.01 -0.7 0
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393731 135021571 1 ON2C25H40 AB2C25D40 -42.91 2.02 -8.6 0.16 0
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393732 135021572 1 BrFSiC12H14 ABCD12E14 -64.29 1.24 -9.4 -0.52 0
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393733 135021573 1 NO7C23H29 AB7C23D29 -271.0 5.67 -8.65 -0.4 0
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393734 135021574 1 NO7C23H29 AB7C23D29 -238.58 5.54 -9.32 -0.82 0
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393735 135021575 1 BrSiO3C18H27 ABC3D18E27 -164.53 2.36 -9.35 -0.24 0
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393736 135021576 1 O2N3C11H11 A2B3C11D11 25.87 5.27 -10.1 -1.73 0
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393737 135021577 2 NOC10H13 ABC10D13 42.54 5.59 -8.27 0.34 0
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393738 135021578 1 O3C14H24 A3B14C24 -156.57 4.19 -9.72 1.69 0
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393739 135021585 1 SO2C18H18 AB2C18D18 6.69 5.95 -9.7 -0.91 0
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393740 135021586 1 NO4H23C26 AB4C23D26 -19.0 7.03 -9.65 -0.71 0
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393741 135021587 1 NSO3C21H23 ABC3D21E23 -50.08 5.8 -9.12 -0.43 0
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393742 135021588 1 NSO3C16H21 ABC3D16E21 -77.26 4.14 -9.39 -0.38 0
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393743 135021589 1 NO3H17C19 AB3C17D19 -19.09 5.88 -8.78 -0.26 0
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393744 135021590 1 O3H16C18 A3B16C18 24.73 2.71 -8.02 -0.43 0
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393745 135021591 1 O5C24H26 A5B24C26 -85.68 4.09 -8.31 -0.52 0
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393746 135021592 1 O5C24H26 A5B24C26 -94.69 3.36 -7.57 -1.49 0
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393747 135021593 1 O5C24H26 A5B24C26 -135.53 1.48 -8.22 -0.26 0
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393748 135021594 2 O2H9C10 A2B9C10 67.81 4.0 -8.29 -0.79 0
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393749 135021595 1 O5H26C30 A5B26C30 -15.04 3.7 -8.02 -0.52 0
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393750 135021598 1 O2C21H30 A2B21C30 -82.25 2.42 -9.2 -0.18 0
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393751 135021599 1 O2C21H28 A2B21C28 -66.15 2.6 -9.27 -0.91 -1
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393752 135021600 1 YO3H5C10 AB3C5D10 -7.66 11.18 -7.19 -2.17 0
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393753 135021601 1 BrMgN4H7C8 ABC4D7E8 132.54 11.36 -9.18 -1.12 0
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393754 135021602 1 FSiO3C18H27 ABC3D18E27 -215.55 2.49 -9.3 -0.17 0
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393755 135021603 1 NO7H25C29 AB7C25D29 -218.89 15.73 -8.66 -1.13 0
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393756 135021604 1 NO8C33H33 AB8C33D33 -277.79 12.73 -8.56 -1.21 0
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393757 135021637 2 NSiO3C11H21 ABC3D11E21 -312.14 3.09 -8.79 -0.99 1
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393758 135021638 1 N2Si2O6C22H43 A2B2C6D22E43 -304.17 1.16 0.0 0.0 0
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393759 135021639 1 SO3H12C16 AB3C12D16 -68.45 2.43 -8.59 -1.14 0
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393761 135021646 1 NO3C16H23 AB3C16D23 -135.66 1.6 -10.29 0.14 0