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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25599 627043 1 SO2N3H13C15 AB2C3D13E15 -0.31 5.35 -9.12 -1.42 0
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25600 627046 1 NSO3H13C16 ABC3D13E16 26.83 5.81 -8.86 -1.83 0
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25601 627049 1 ClN2O3C21H21 AB2C3D21E21 -74.35 2.9 -9.28 -0.99 0
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25602 627050 1 NO4C17H17 AB4C17D17 -114.9 2.0 -8.95 -1.25 0
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25603 627065 1 NO3C18H21 AB3C18D21 -58.96 2.07 -8.53 -0.52 0
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25604 627067 1 OSiC24H50 ABC24D50 -194.58 1.51 -8.86 1.42 0
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25605 627068 1 SO3C20H26 AB3C20D26 -133.61 5.44 -9.14 -0.42 0
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25606 627069 1 O2F3N4H11C12 A2B3C4D11E12 -160.41 3.97 -9.09 -0.77 0
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25607 627075 1 ClO3H13C17 AB3C13D17 -62.41 2.69 -9.15 -0.84 0
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25608 627082 1 ClON3H14C16 ABC3D14E16 21.35 2.16 -8.1 -0.69 0
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25609 627084 1 Cl3F7C8 A3B7C8 -331.12 1.01 -11.03 -2.38 0
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25610 627087 1 O3C21H28 A3B21C28 -132.0 3.53 -8.96 -0.22 0
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25611 627126 1 SN2O4C36H42 AB2C4D36E42 -77.0 6.68 -8.88 -0.4 0
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25612 627127 1 SN2O3C32H36 AB2C3D32E36 -41.31 7.32 -8.84 -0.47 0
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25613 627224 1 NBr2O2H17C23 AB2C2D17E23 43.93 1.91 -9.33 -1.24 0
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25614 627266 1 O2N3C19H27 A2B3C19D27 -41.67 5.81 -8.95 0.05 0
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25615 627283 1 NCl2O2H19C21 AB2C2D19E21 -27.21 3.22 -9.3 -0.86 0
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25616 627323 2 SiC21H21 AB21C21 52.55 0.13 -7.89 -0.06 0
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25617 627370 1 IO3H7C10 AB3C7D10 -61.06 4.84 -9.59 -1.3 0
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25618 627438 1 N2C21H22 A2B21C22 70.27 3.69 -8.15 -0.04 0
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25619 627482 1 O2P2C27H50 A2B2C27D50 -247.16 4.41 -9.06 2.65 0
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25620 627484 1 NO4C17H21 AB4C17D21 -143.02 4.7 -8.66 -0.14 0
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25621 627494 1 ON3H17C19 AB3C17D19 76.3 4.08 -8.24 -0.6 0
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25622 627514 1 N3O6H9C13 A3B6C9D13 -51.35 7.47 -9.83 -1.96 0
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25623 627584 1 N5O6C14H15 A5B6C14D15 12.33 3.84 -10.16 -1.68 0
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25624 627588 1 Si2O3C27H46 A2B3C27D46 -273.73 2.47 -8.66 0.47 0
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25625 627589 2 O2C16H19 A2B16C19 -150.99 5.07 -8.37 0.45 0
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25626 627591 2 OC10H16 AB10C16 -149.19 2.84 -9.63 0.76 0
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25627 627595 1 N3O3H17C20 A3B3C17D20 -9.09 2.57 -8.8 -1.24 0
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25628 627608 2 N2O3H4C6 A2B3C4D6 39.8 6.03 -10.2 -2.23 0
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25629 627609 2 FSH5C8 ABC5D8 -12.07 0.24 -8.58 -1.48 0
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25630 627670 1 SN4H12C17 AB4C12D17 104.59 4.71 -8.55 -1.37 0
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25631 627671 1 ON3C19H19 AB3C19D19 36.05 6.56 -8.28 -0.8 0
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25632 627672 1 NOF3H14C17 ABC3D14E17 -147.48 5.91 -9.13 -1.04 0
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25633 627674 1 HN2Br3C3 AB2C3D3 42.58 2.55 -9.84 -0.95 0
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25634 627675 1 BrN3O6C10H12 AB3C6D10E12 -3.69 3.43 -10.06 -1.58 0
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25635 627678 1 OCl2N2H10C15 AB2C2D10E15 21.26 7.22 -8.85 -1.25 -20
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25637 627684 1 N2O5H12C19 A2B5C12D19 -126.37 7.34 -9.2 -1.74 0
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25638 627685 1 N2O5H16C20 A2B5C16D20 -102.77 5.08 -8.26 -1.69 0
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25639 627690 1 SN2O7C19H20 AB2C7D19E20 -173.07 3.93 -10.25 -1.99 0
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25640 627691 1 NOS3H11C14 ABC3D11E14 39.56 3.06 -8.73 -1.29 0
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25641 627698 1 SiO4C16H36 AB4C16D36 -343.99 1.11 -9.74 0.62 0
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25642 627709 1 ON5H15C17 AB5C15D17 44.52 2.95 -9.01 -0.73 0
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25643 627717 1 ClFSN3H9C14 ABCD3E9F14 51.41 5.15 -8.87 -1.11 0
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25644 627733 1 ClNO3C16H16 ABC3D16E16 -109.38 2.29 -9.5 -0.66 0
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25645 627752 1 NH15C23 AB15C23 128.64 4.46 -8.47 -1.13 0
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25646 627893 1 NO3C25H25 AB3C25D25 -60.11 3.2 -8.58 -0.25 0
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25647 627894 1 INH16C23 ABC16D23 120.8 0.02 -9.24 -0.98 0
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25648 627895 1 OSBr2F3N3H4C10 ABC2D3E3F4G10 -105.93 3.69 -9.81 -1.78 0
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25649 627901 1 N2O2C23H28 A2B2C23D28 -49.73 6.13 -9.07 -0.56 0
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25650 627903 1 N3O4C20H21 A3B4C20D21 -39.44 2.94 -9.3 -0.5 0
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25651 627908 1 NO5C22H37 AB5C22D37 -267.77 4.84 -9.98 0.44 0
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25652 627909 1 NSBr2H5C8 ABC2D5E8 50.18 4.1 -8.57 -0.72 0
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25653 627910 1 O6H14C19 A6B14C19 -140.34 7.35 -9.09 -0.9 0
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25654 627911 1 OSiC23H44 ABC23D44 -175.48 1.61 -9.1 1.34 0
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25655 627912 1 SN3O5H9C12 AB3C5D9E12 31.54 8.16 -9.39 -1.85 0
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25656 627946 1 BrNOF3H7C11 ABCD3E7F11 -147.09 4.34 -9.52 -1.34 0
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25657 627947 1 OBr2N3H5C7 AB2C3D5E7 18.2 7.15 -9.15 -1.05 0
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25658 627948 1 OBr2N3H5C7 AB2C3D5E7 0.77 1.27 -9.19 -1.1 0
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25659 627953 1 NH17C23 AB17C23 90.59 4.1 -8.71 -0.96 1
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25660 627954 1 NOH24C33 ABC24D33 106.07 2.54 0.0 0.0 0
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25661 627994 1 ON2C20H24 AB2C20D24 -8.37 2.21 -8.99 -0.48 0
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25662 628229 1 N2O2C19H22 A2B2C19D22 -35.06 3.38 -8.05 -0.11 0
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25663 628230 6 OC4H5 AB4C5 -284.94 2.76 -8.94 0.11 0
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25664 628232 2 N2H7C10 A2B7C10 148.68 3.46 -8.76 -1.44 0
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25665 628316 2 O2C18H35 A2B18C35 -337.96 1.88 -10.59 0.88 0
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25666 628317 1 O3C38H74 A3B38C74 -273.75 1.84 -9.34 0.68 0
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25667 628353 1 SO3C26H28 AB3C26D28 -27.52 3.34 -8.38 -0.1 0
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25668 628357 1 NO4H17C18 AB4C17D18 -136.65 3.67 -8.93 -1.06 0
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25669 628360 1 NO4H17C18 AB4C17D18 -132.16 4.56 -8.84 -1.01 0
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25670 628361 1 NO2C20H25 AB2C20D25 -79.99 4.47 -8.72 -0.08 0
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25671 628366 1 O2N3C18H21 A2B3C18D21 -2.55 2.73 -7.84 -0.12 0
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25672 628373 1 NOH17C22 ABC17D22 65.86 3.87 -8.44 -0.8 0
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25673 628376 1 NO3C19H21 AB3C19D21 -52.64 5.98 -8.93 -0.48 0
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25674 628377 1 BrClNOH9C13 ABCDE9F13 22.96 3.4 -9.11 -0.99 0
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25675 628378 1 ClNF2O3H8C14 ABC2D3E8F14 -161.23 2.41 -9.28 -1.21 0
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25676 628380 1 O7H18C20 A7B18C20 -239.17 8.2 -9.06 -1.34 0
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25677 628438 1 SO2F3H11C15 AB2C3D11E15 -191.36 4.11 -9.7 -0.98 0
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25678 628448 1 FSO5C22H33 ABC5D22E33 -310.81 5.46 -9.04 0.25 0
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25679 628592 1 SO2N3H15C16 AB2C3D15E16 31.55 6.43 -8.54 -0.62 0
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25680 628597 1 OC30H50 AB30C50 -119.78 3.76 -9.56 0.84 0
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25681 628601 1 NC23H23 AB23C23 55.93 0.69 -8.02 -0.02 0
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25682 628602 1 ON3H15C20 AB3C15D20 81.83 5.66 -8.6 -0.96 0
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25683 628693 1 ON4H14C19 AB4C14D19 81.16 10.81 -8.56 -0.96 0
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25684 628695 1 O5C22H30 A5B22C30 -259.05 6.23 -10.26 0.47 0
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25685 628918 1 SN2O3C16H16 AB2C3D16E16 -29.92 1.73 -8.64 -0.51 0
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25686 629001 1 BrON2H13C15 ABC2D13E15 30.72 4.41 -9.13 -0.51 0
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25687 629006 1 OCl2N2C23H24 AB2C2D23E24 0.4 6.34 -9.2 -1.45 0
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25688 629179 1 H18C25 A18B25 90.7 0.4 -8.68 -0.53 0
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25689 629186 1 ClN2O5H7C14 AB2C5D7E14 -28.32 7.07 -9.81 -2.22 0
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25690 629188 1 O10C25H38 A10B25C38 -496.42 4.81 -9.93 0.48 0
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25691 629192 1 N2O6H12C19 A2B6C12D19 -61.85 4.23 -10.62 -2.09 0
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25692 629323 1 O6C17H20 A6B17C20 -213.2 0.99 -8.53 -0.5 0
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25693 629324 2 N3C9H10 A3B9C10 84.48 2.11 -8.67 -0.31 0
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25694 629325 1 O3H20C21 A3B20C21 -53.17 2.77 -9.77 -1.86 0
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25695 629326 4 OH4C5 AB4C5 -97.11 2.81 -9.27 -1.34 0
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25696 629327 1 NNiP2C25H47 ABC2D25E47 66.34 2.0 -7.61 -3.72 0
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25697 629334 2 ON2H8C9 AB2C8D9 84.97 6.58 -9.04 -1.56 0
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25698 629338 1 BrON3C14H14 ABC3D14E14 10.75 3.18 -8.67 -0.64 0
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25699 629339 1 IC3N3P3Cl4H7 AB3C3D3E4F7 -162.3 3.09 -9.93 -1.16 0