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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149680 53789354 1 SN2O2H16C17 AB2C2D16E17 -4.53 3.28 -9.28 -0.45 0
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149681 53789355 1 NO3C6H7 AB3C6D7 -121.04 6.47 -9.88 -0.48 0
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149682 53789356 6 OC3H5 AB3C5 -213.02 4.44 -9.34 -0.26 0
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149683 53789357 1 O4S4H30C51F68 A4B4C30D51E68 -3457.07 4.9 -9.02 -1.54 0
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149684 53789358 2 NO4H7C11 AB4C7D11 -158.56 2.64 -9.19 -1.8 0
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149685 53789359 2 NO2C22H44 AB2C22D44 -364.62 4.65 -8.97 0.57 0
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149686 53789360 2 C5O5H9 A5B5C9 -259.82 4.59 -10.48 -0.51 0
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149687 53789361 1 NC10H21 AB10C21 -27.47 1.58 -8.51 1.37 0
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149688 53789362 1 ON2H18C20 AB2C18D20 48.98 3.79 -7.97 -0.5 0
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149689 53789363 1 BrCl3O4H18C20 AB3C4D18E20 -135.3 3.25 -9.03 -0.99 0
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149690 53789364 1 N2O3C8H10 A2B3C8D10 -51.33 3.78 -8.82 -0.8 -1
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149691 53789365 1 SN2O2C15H21 AB2C2D15E21 -42.3 5.93 0.0 0.0 0
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149692 53789366 1 OF2N2C19H22 AB2C2D19E22 -84.94 5.95 -8.88 -0.25 0
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149693 53789367 2 NO2C21H42 AB2C21D42 -308.81 5.38 -9.0 1.04 0
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149694 53789368 1 SN4O6C22H26 AB4C6D22E26 -202.5 11.24 -9.3 -1.19 0
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149695 53789369 1 S3O9H18C23 A3B9C18D23 -277.89 8.25 -9.11 -1.19 0
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149696 53789370 2 ON2C13H19 AB2C13D19 77.44 4.32 -8.36 -0.12 0
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149697 53789371 1 OC2H4 AB2C4 -37.96 3.11 -10.24 0.41 0
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149698 53789372 1 O2F5C8H9 A2B5C8D9 -337.75 3.57 -10.36 -0.77 0
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149699 53789373 1 SN3O4C17H21 AB3C4D17E21 -125.7 5.44 -9.37 -0.69 0
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149700 53789374 1 N2O7H30C31 A2B7C30D31 -173.44 7.19 -8.64 -0.67 0
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149701 53789375 1 N2O3C17H24 A2B3C17D24 -117.45 4.26 -9.33 0.17 0
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149702 53789376 1 O8C29H36 A8B29C36 -292.67 3.61 -8.76 -0.28 0
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149703 53789377 1 FN3O4C10H14 AB3C4D10E14 -201.15 5.32 -9.62 -0.4 0
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149704 53789378 1 NO4C22H25 AB4C22D25 -110.61 4.25 -8.75 -0.6 0
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149705 53789379 1 NO2F3C23H28 AB2C3D23E28 -220.66 5.96 -9.6 -0.36 0
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149706 53789381 1 NOC10H17 ABC10D17 -55.07 2.0 -7.99 0.36 0
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149707 53789382 2 NO2C16H23 AB2C16D23 -259.11 0.73 -10.32 0.02 0
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149708 53789383 2 FN2O3C19H21 AB2C3D19E21 -223.05 13.16 -8.15 -0.65 0
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149709 53789384 1 PO7C10H15 AB7C10D15 -304.14 3.32 -10.08 -0.52 0
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149710 53789385 1 N5O11C32H37 A5B11C32D37 -223.7 8.8 -9.58 -1.6 0
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149711 53789386 1 O3C5H6 A3B5C6 -40.96 5.53 -10.35 -0.52 0
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149712 53789387 1 BrNSO3C13H20 ABCD3E13F20 -121.54 1.96 -9.21 -0.7 0
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149713 53789388 1 O7Si7C20H47 A7B7C20D47 -567.9 4.45 0.0 0.0 0
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149714 53789389 1 P2O8C45H46 A2B8C45D46 -345.61 5.65 -9.08 -0.29 0
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149715 53789390 1 NO3H15C17 AB3C15D17 -21.99 5.54 -8.46 -1.33 0
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149716 53789391 1 FNO3C10H10 ABC3D10E10 -150.57 6.11 -9.32 -0.66 0
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149717 53789392 1 SN2O3C20H20 AB2C3D20E20 -75.22 4.4 -8.95 -0.9 0
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149718 53789393 1 NC14H19 AB14C19 -1.73 1.56 -7.62 0.25 0
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149719 53789394 1 FC34H37 AB34C37 61.96 1.99 -8.58 -0.9 0
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149720 53789395 1 SO3C21H28 AB3C21D28 -121.67 4.19 -8.59 0.19 0
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149721 53789396 1 O5C23H32 A5B23C32 -225.57 4.86 -9.26 -0.33 0
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149722 53789397 1 N2O2C13H14 A2B2C13D14 -48.45 4.76 -8.29 -0.12 0
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149723 53789398 1 PC28H55 AB28C55 -117.38 1.76 -8.54 2.97 0
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149724 53789399 1 ON3C25H27 AB3C25D27 29.65 1.69 -8.76 -0.21 0
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149725 53789400 1 SiN2H40C50 AB2C40D50 190.33 3.46 -8.73 -0.72 0
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149726 53789401 2 O4C19H22 A4B19C22 -291.22 2.14 -9.29 -0.94 0
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149727 53789402 2 O3C8H10 A3B8C10 -216.62 2.62 -9.38 -0.62 0
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149728 53789403 2 NOH6C10 ABC6D10 75.31 5.09 -9.16 -1.02 0
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149729 53789404 1 NO5C16H17 AB5C16D17 -180.01 3.47 -9.85 -1.13 0
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149730 53789405 1 ON4H16C18 AB4C16D18 72.93 4.61 -8.79 -0.96 0
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149731 53789406 2 O2C22H39 A2B22C39 -310.27 3.29 -10.35 -1.23 0
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149732 53789407 1 IN2O2C16H21 AB2C2D16E21 30.91 4.14 -8.45 -0.66 0
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149733 53789408 1 O3N6C16H26 A3B6C16D26 -101.13 5.28 -8.72 -0.13 0
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149734 53789409 1 O2S6C15H18 A2B6C15D18 -2.24 8.12 -8.7 -1.74 0
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149735 53789410 1 NCl2O2H11C14 AB2C2D11E14 -23.71 2.67 -7.86 -0.65 0
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149736 53789411 1 NSCl2O2H11C16 ABC2D2E11F16 0.47 1.86 -9.25 -1.05 0
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149737 53789412 1 NSF3O8C22H24 ABC3D8E22F24 -424.02 3.62 -9.51 -1.21 0
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149738 53789413 2 OSN2H14C17 ABC2D14E17 79.12 5.46 -8.2 -0.99 0
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149739 53789414 4 OC3H3 AB3C3 -111.67 4.4 -9.51 -0.49 0
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149740 53789415 4 OC6H11 AB6C11 -262.91 1.11 -10.36 0.64 0
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149741 53789416 1 NO5C15H15 AB5C15D15 -87.78 4.87 -10.43 -1.62 0
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149742 53789417 1 NOC3H3 ABC3D3 21.09 0.67 -10.69 -0.27 0
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149743 53789418 1 Cl5O8N10C71H99 A5B8C10D71E99 -326.18 10.84 -8.65 -1.01 0
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149744 53789419 1 Cl2N2O2C21H24 A2B2C2D21E24 -35.43 7.47 -9.18 -0.15 0
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149745 53789420 1 SiO4C8H18 AB4C8D18 -263.45 2.09 -9.41 1.12 0
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149746 53789421 1 O4C23H42 A4B23C42 -261.43 2.83 -9.62 0.65 0
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149747 53789422 1 OF2N3C21H21 AB2C3D21E21 -76.18 4.52 -8.14 -0.88 0
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149748 53789424 1 NO3C12H13 AB3C12D13 -103.07 2.07 -10.03 -0.46 0
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149749 53789425 1 N2O2H26C27 A2B2C26D27 3.59 10.27 -8.85 -0.77 0
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149750 53789426 1 OSCl2F3N3H14C17 ABC2D3E3F14G17 -131.07 8.32 -9.11 -0.93 0
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149751 53789427 1 NS2O3C10H19 AB2C3D10E19 -166.81 4.48 -9.21 -0.86 0
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149752 53789428 1 PSN2F3O3C9H16 ABC2D3E3F9G16 -365.61 5.97 -10.07 -0.9 0
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149753 53789429 1 BrCl2N2O3H19C23 AB2C2D3E19F23 -82.02 5.39 -9.01 -1.03 0
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149754 53789430 1 ClNSO2C9H10 ABCD2E9F10 -71.33 3.56 -9.2 -0.47 0
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149755 53789431 1 BrSO3H13C14 ABC3D13E14 -81.63 2.63 -9.44 -1.27 0
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149756 53789432 1 NO2C24H31 AB2C24D31 -76.84 2.58 -9.01 -0.32 0
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149757 53789433 1 O5C29H30 A5B29C30 -133.33 3.93 -8.52 -0.77 0
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149758 53789434 1 Si2O3C39H70 A2B3C39D70 -294.97 3.95 -8.7 0.38 0
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149759 53789435 1 C11H20 A11B20 -29.36 0.49 -9.08 1.57 0
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149760 53789436 1 C11H20 A11B20 -29.6 0.49 -9.09 1.57 0
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149761 53789437 1 NPC6O7H14 ABC6D7E14 -239.12 5.34 -10.07 -0.99 0
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149762 53789438 1 SN5O5C23H33 AB5C5D23E33 -199.25 6.87 -8.98 -0.49 0
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149763 53789439 1 ON2Si2C7H19 AB2C2D7E19 -58.73 0.75 0.0 0.0 0
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149764 53789440 1 N2O4C19H32 A2B4C19D32 -181.17 5.82 -9.44 0.64 0
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149765 53789441 1 ClF2S2N6O8C24H25 AB2C2D6E8F24G25 -325.4 4.52 -8.91 -1.07 0
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149766 53789442 1 FSO2N3C8H8 ABC2D3E8F8 -68.19 4.61 -8.78 -0.54 0
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149767 53789443 1 FSN3O4C12H12 ABC3D4E12F12 -153.24 3.26 -9.04 -0.97 0
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149768 53789444 1 N6O7C24H30 A6B7C24D30 -237.6 2.77 -8.94 -0.4 0
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149769 53789445 1 NO2C18H27 AB2C18D27 -50.09 0.99 -9.59 -0.72 0
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149770 53789446 1 FNC27H32 ABC27D32 -7.18 6.33 -9.32 -0.78 0
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149771 53789447 1 ClSN4C8H17 ABC4D8E17 -4.56 4.75 -8.97 -0.01 0
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149772 53789448 1 O3C16H20 A3B16C20 -73.76 2.22 -8.87 0.13 0
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149773 53789449 1 BrO4C5H9 AB4C5D9 -180.78 2.9 -10.67 -0.49 1
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149774 53789450 1 ClO2N5C17H23 AB2C5D17E23 -32.4 6.01 0.0 0.0 0
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149775 53789451 2 NOC2H6 ABC2D6 -69.26 1.69 -9.52 1.39 0
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149776 53789452 1 SO4N7C19H23 AB4C7D19E23 -3.41 2.02 -8.8 -1.15 0
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149777 53789453 1 SO2N3C18H19 AB2C3D18E19 -6.68 3.67 -8.74 -0.92 0
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149778 53789454 1 SF3O9H13C14 AB3C9D13E14 -504.66 2.53 -10.58 -2.1 0
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149779 53789455 1 NO2C20H29 AB2C20D29 -86.71 3.19 -9.55 -0.05 0