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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404600 135067433 1 BrSN2O4H15C16 ABC2D4E15F16 -100.13 8.56 -9.22 -1.25 0
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404601 135067441 1 OC13H16 AB13C16 19.63 2.2 -8.93 0.15 0
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404602 135067537 1 N2O3C18H18 A2B3C18D18 17.4 8.3 -9.42 -1.02 0
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404603 135067553 1 NO3H13C16 AB3C13D16 -60.2 5.1 -8.99 -1.16 0
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404604 135067557 1 NOBr2H7C11 ABC2D7E11 27.96 3.8 -9.39 -1.04 0
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404605 135067562 1 ClO2C14H15 AB2C14D15 -65.83 1.93 -9.24 -0.89 0
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404606 135067564 1 NCl2O6H23C25 AB2C6D23E25 -193.22 5.38 -8.51 -1.17 0
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404607 135067572 1 NO3C22H23 AB3C22D23 -71.85 2.39 -8.95 -0.53 0
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404608 135067665 1 SiO3C28H38 AB3C28D38 -143.82 1.16 -8.99 0.11 0
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404609 135067686 1 NOCl3H14C24 ABC3D14E24 47.39 2.77 -9.6 -1.1 0
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404610 135067690 1 NF3H20C22 AB3C20D22 -103.54 2.8 -9.21 -0.9 0
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404611 135067696 1 O3C16H16 A3B16C16 -77.91 4.95 -8.66 -0.44 0
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404613 135067747 1 NSO2H21C25 ABC2D21E25 17.91 6.44 -8.41 -0.75 0
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404614 135067838 1 ClNO2H12C18 ABC2D12E18 1.79 4.04 -9.13 -1.06 0
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404615 135067839 1 NO4H13C17 AB4C13D17 -40.12 3.39 -8.6 -0.92 0
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404616 135067861 1 NSiO4C21H37 ABC4D21E37 -221.26 6.85 -9.02 -0.23 0
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404617 135067898 1 NO5C28H31 AB5C28D31 -89.89 9.53 -9.12 -1.27 0
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404618 135067901 1 NSO3C15H17 ABC3D15E17 -75.55 7.58 -9.66 -0.1 0
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404619 135067953 1 BrFOH16C20 ABCD16E20 -11.22 3.02 -8.99 -0.79 0
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404620 135067954 1 F3O3H17C22 A3B3C17D22 -205.19 5.9 -8.97 -1.03 0
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404621 135067955 1 ClN2O2C23H23 AB2C2D23E23 -32.78 2.33 -9.34 -1.15 0
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404622 135067956 1 BrN2O2C24H25 AB2C2D24E25 58.97 3.77 -8.57 -0.21 0
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404623 135067963 1 O3N6C22H32 A3B6C22D32 -81.42 6.97 -8.94 -0.68 0
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404624 135067972 2 NOC15H19 ABC15D19 -62.11 2.24 -9.13 -0.74 0
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404625 135067975 1 N2C21H22 A2B21C22 72.99 3.38 -8.05 0.18 0
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404626 135067977 1 FN2H19C20 AB2C19D20 35.26 4.69 -8.44 -0.17 0
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404627 135067990 1 NO4C14H17 AB4C14D17 -126.37 1.23 -8.89 0.01 0
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404628 135067996 1 N2O5H22C25 A2B5C22D25 -35.34 9.61 -8.85 -0.87 0
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404629 135068004 1 BrNO2Cl3H13C17 ABC2D3E13F17 -25.43 1.06 -9.91 -0.57 0
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404630 135068015 1 SiO2C23H30 AB2C23D30 -102.77 2.97 -8.62 -0.44 0
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404631 135068049 1 SiO3C17H30 AB3C17D30 -179.6 2.51 -9.14 0.13 1
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404632 135068064 1 FeOPN7C114H119 ABCD7E114F119 476.87 8.98 0.0 0.0 0
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404633 135068102 1 NSO2C24H31 ABC2D24E31 -35.18 5.43 -8.82 -0.48 0
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404634 135068118 1 SiO4C19H32 AB4C19D32 -226.92 2.09 -8.95 0.44 0
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404636 135068178 1 SiO3C25H38 AB3C25D38 -183.93 1.85 -8.71 -0.29 0
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404637 135068184 1 FON2H23C26 ABC2D23E26 -11.13 1.31 -8.68 -0.79 0
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404639 135068258 1 NO2C15H25 AB2C15D25 -111.24 2.37 -8.16 0.83 0
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404640 135068358 1 NSO4H15C18 ABC4D15E18 -108.37 3.13 -8.88 -1.07 0
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404641 135068383 1 NO2C18H23 AB2C18D23 -34.59 5.64 -9.24 -0.14 0
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404642 135068394 1 FeNH19C25 ABC19D25 276.41 1.65 -8.04 -1.22 0
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404643 135068399 3 FOC5H5 ABC5D5 -248.49 4.21 -9.51 -0.78 0
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404644 135068402 1 ON2C23H24 AB2C23D24 40.31 1.25 -8.56 -0.49 0
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404645 135068403 1 FeN2O2H18C25 AB2C2D18E25 300.27 11.63 -6.89 -2.57 0
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404646 135068405 1 FeNOH17C23 ABCD17E23 277.89 3.91 -6.91 -1.14 0
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404647 135068408 1 SiO5C23H38 AB5C23D38 -257.81 2.93 -8.66 0.32 0
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404648 135068443 1 NF3H14C17 AB3C14D17 -67.18 4.31 -8.39 -0.78 0
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404649 135068480 1 NSO2C16H23 ABC2D16E23 -80.55 4.4 -8.43 0.08 0
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404650 135068536 2 O2C9H14 A2B9C14 -170.67 3.89 -9.21 -1.0 0
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404652 135068546 1 N2O11C49H50 A2B11C49D50 -324.81 6.21 -9.37 -0.97 0
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404653 135068662 1 NO4H23C24 AB4C23D24 -105.25 2.87 -9.56 -1.14 0
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404654 135068685 1 O4H20C23 A4B20C23 -84.73 3.67 -9.0 -1.16 0
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404655 135068693 1 NO6C18H21 AB6C18D21 -168.32 1.15 -8.7 -0.03 0
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404656 135068696 1 O3C15H20 A3B15C20 -117.67 5.13 -8.76 0.12 0
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404657 135068697 1 ON2C12H12 AB2C12D12 12.09 5.94 -9.08 -0.8 0
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404658 135068757 2 NO5C25H28 AB5C25D28 -327.9 4.0 -9.21 -0.18 0
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404660 135068819 1 O4C27H28 A4B27C28 -62.28 1.66 -8.49 -0.01 0
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404661 135068820 2 SiO2C13H26 AB2C13D26 -337.76 3.77 -8.6 0.96 0
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404662 135068821 1 NO6C37H49 AB6C37D49 -167.1 3.52 -8.61 0.09 0
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404663 135068822 2 OC9H9 AB9C9 -38.6 1.53 -8.48 -0.43 0
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404665 135068952 2 SiO2C9H15 AB2C9D15 -234.42 4.57 -9.55 -0.55 0
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404666 135068959 1 O3H16C17 A3B16C17 -52.93 4.42 -9.48 -1.32 0
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404667 135068962 1 NO2Cl3H16C18 AB2C3D16E18 -34.03 4.99 -9.5 -0.4 0
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404668 135068968 1 NPO4C27H34 ABC4D27E34 -190.9 3.33 -9.43 -0.12 0
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404669 135068969 1 NPO4C21H24 ABC4D21E24 -171.4 4.52 -9.34 0.05 1
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404670 135069003 1 BP2O5C9H22 AB2C5D9E22 -254.82 2.72 0.0 0.0 0
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404671 135069007 1 PF2O4C14H19 AB2C4D14E19 -303.13 3.82 -10.05 -0.55 1
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404672 135069013 1 BP2O5C14H24 AB2C5D14E24 -244.48 4.68 0.0 0.0 0
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404673 135069154 1 OH16C19 AB16C19 42.0 2.78 -8.59 -0.38 0
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404674 135069156 1 NO5C17H21 AB5C17D21 -164.29 3.0 -8.42 0.02 0
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404675 135069158 2 O2C8H9 A2B8C9 -138.98 3.44 -9.39 0.18 0
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404676 135069159 1 NO5C21H29 AB5C21D29 -176.12 3.57 -8.83 -0.09 0
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404677 135069160 1 NSO6H27C29 ABC6D27E29 -162.12 5.55 -8.59 -0.59 0
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404678 135069216 2 OH8C10 AB8C10 -27.93 5.36 -9.08 -1.18 0
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404679 135069281 1 OC14H14 AB14C14 75.53 1.95 -9.12 -0.4 0
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404680 135069283 1 NOSCl2H9C10 ABCD2E9F10 -12.86 8.73 -9.38 -0.47 0
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404681 135069325 1 NOC25H31 ABC25D31 -3.39 3.28 -7.54 -0.04 0
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404682 135069404 1 BrNH12C17 ABC12D17 77.22 1.86 -8.48 -0.71 0
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404683 135069420 1 NSO3C20H21 ABC3D20E21 -71.1 8.96 -9.6 -0.64 0
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404684 135069421 1 ON3H11C12 AB3C11D12 18.63 5.2 -8.57 -0.96 1
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404685 135069475 1 BPO2C14H21 ABC2D14E21 21.11 2.9 0.0 0.0 0
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404686 135069535 1 NOC10H15 ABC10D15 -26.38 4.22 -8.85 0.77 0
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404687 135069540 1 OSiN2C12H24 ABC2D12E24 -91.74 4.72 -9.6 0.66 0
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404689 135069542 1 O5C26H30 A5B26C30 -135.48 2.55 -8.56 0.2 0
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404690 135069543 1 OC18H24 AB18C24 -34.52 1.18 -9.08 0.4 0
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404691 135069544 1 SnO7C39H42 AB7C39D42 -184.41 1.37 -9.43 -0.75 0
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404693 135069585 1 N2H18C21 A2B18C21 86.17 4.9 -8.44 -0.22 0
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404695 135069671 1 NSSiO2C14H23 ABCD2E14F23 -81.71 4.27 -9.2 0.27 0
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404696 135069674 1 O3C16H22 A3B16C22 -134.81 4.6 -9.99 -0.52 0
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404697 135069675 1 O3C16H22 A3B16C22 -132.52 3.63 -10.11 -0.9 0
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404699 135069678 1 NO6C20H21 AB6C20D21 -199.41 2.71 -8.63 -1.15 0
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404701 135069680 1 BrSN2Si2O6C41H63 ABC2D2E6F41G63 -353.87 6.99 -8.62 -0.92 0
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404702 135069681 1 SiO2C28H38 AB2C28D38 -89.56 1.25 -9.06 0.04 0
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404703 135069683 1 ClN2O2H17C20 AB2C2D17E20 -8.93 2.25 -9.22 -1.34 0
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404704 135069687 1 O2C27H42 A2B27C42 -124.73 2.44 -8.33 0.75 0
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404705 135069710 1 P2O3C31H42 A2B3C31D42 -187.62 2.43 -8.44 0.04 0
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404706 135069730 1 ON2F4H8C14 AB2C4D8E14 -184.56 6.74 -8.79 -1.6 0
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404707 135069767 2 OC5H9 AB5C9 -128.81 3.44 -10.05 2.59 0
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404708 135069790 3 C5H8 A5B8 -16.09 0.47 -8.79 1.66 0
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404709 135069805 1 N2C21H22 A2B21C22 94.99 3.83 -8.84 -0.28 0
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404710 135069816 1 O4C17H24 A4B17C24 -111.24 1.79 -7.97 -0.23 0