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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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303597 124489945 2 O3C10H16 A3B10C16 -132.77 5.6 -9.15 0.06 0
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303598 124489946 2 O3C10H17 A3B10C17 -308.48 6.1 -9.83 0.35 0
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303599 124489947 2 O3C10H16 A3B10C16 -295.59 6.01 -10.15 0.15 0
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303600 124489948 2 O3C10H16 A3B10C16 -295.66 2.82 -10.03 0.33 0
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303601 124489949 2 O3C10H16 A3B10C16 -287.1 6.42 -10.16 0.23 0
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303602 124489950 1 O5C20H34 A5B20C34 -270.35 5.15 -10.44 0.23 0
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303603 124489951 1 O5C20H34 A5B20C34 -271.15 6.11 -9.66 0.25 0
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303604 124489952 1 O5C20H36 A5B20C36 -279.31 6.69 -10.18 0.55 0
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303605 124489953 1 O5C21H36 A5B21C36 -262.59 7.26 -10.02 0.54 0
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303606 124489954 1 N2S2O6C15H16 A2B2C6D15E16 -208.86 3.77 -9.6 -0.91 0
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303607 124489955 1 O3C12H20 A3B12C20 -154.21 4.27 -9.78 0.56 0
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303608 124489956 3 O3C5H6 A3B5C6 -345.52 7.49 -9.53 -1.16 0
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303609 124489957 1 O9C16H16 A9B16C16 -351.25 2.4 -9.66 -1.22 0
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303610 124489958 1 O7C16H16 A7B16C16 -258.05 4.82 -9.14 -0.87 0
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303611 124489959 1 F2O5C20H32 A2B5C20D32 -384.75 4.16 -10.35 0.19 0
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303612 124489960 1 F2O5C20H32 A2B5C20D32 -379.5 6.18 -10.38 0.24 0
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303613 124489961 1 O5C18H30 A5B18C30 -254.48 3.05 -10.09 0.34 0
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303614 124489962 1 Cl3O7C8H11 A3B7C8D11 -320.67 6.99 -10.88 -0.76 0
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303619 124489967 1 N2O7C12H20 A2B7C12D20 -291.54 8.83 -9.94 -0.06 0
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303620 124489968 1 N2O7C12H20 A2B7C12D20 -290.78 7.97 -9.69 -0.28 0
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303621 124489969 2 NO4C6H10 AB4C6D10 -336.51 5.27 -10.35 -0.09 0
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303622 124489970 2 NO4C6H10 AB4C6D10 -345.58 4.21 -10.0 -0.04 0
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303623 124489971 2 NO4C6H10 AB4C6D10 -334.51 3.06 -10.18 -0.13 0
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303624 124489972 2 NO4C6H10 AB4C6D10 -339.21 6.99 -9.85 -0.29 0
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303625 124489973 1 N3O5C20H27 A3B5C20D27 -190.44 2.33 -9.47 -0.42 0
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303626 124489974 1 NO2H15C16 AB2C15D16 -6.29 5.18 -9.17 -0.15 0
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303627 124489975 1 NO2H15C16 AB2C15D16 -11.52 3.71 -9.03 -0.07 0
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303628 124489976 1 NO2C15H15 AB2C15D15 -43.28 2.9 -9.06 -0.16 0
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303634 124489982 2 ClON2C13H13 ABC2D13E13 -16.92 2.96 -8.52 -0.98 0
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303635 124489983 1 N2O4H20C23 A2B4C20D23 -5.09 5.11 -9.75 -1.44 0
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303636 124489984 1 N2O4H20C23 A2B4C20D23 -4.31 5.09 -9.8 -1.46 0
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303637 124489986 1 O3Cl6H8C12 A3B6C8D12 -103.18 3.98 -10.33 -0.99 0
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303638 124489987 1 O3Cl6H8C12 A3B6C8D12 -110.13 4.57 -10.43 -1.13 0
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303641 124489990 1 PN2O5C16H17 AB2C5D16E17 -195.25 7.34 -8.85 -1.89 0
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303643 124489993 1 ON4C16H16 AB4C16D16 43.95 3.58 -8.84 -0.46 0
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303644 124489994 1 ON4C16H16 AB4C16D16 43.79 3.79 -8.88 -0.51 0
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303645 124489995 1 NOH25C28 ABC25D28 110.32 4.03 -8.04 -0.27 0
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303646 124489996 1 NOH25C28 ABC25D28 45.81 2.23 -8.36 -0.33 0
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303647 124489997 1 ON2H26C30 AB2C26D30 62.59 0.97 -8.22 -0.52 0
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303648 124489998 1 ON2H26C30 AB2C26D30 62.52 0.62 -8.36 -0.53 0
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303649 124489999 1 SN2O7C21H24 AB2C7D21E24 -206.36 4.06 -9.58 -1.27 0
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303650 124490000 1 SN2O7C21H24 AB2C7D21E24 -228.18 2.94 -9.72 -1.45 0
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303651 124490001 1 SN2O7C21H24 AB2C7D21E24 -220.99 3.63 -9.71 -1.38 0
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303652 124490002 1 SN2O7C21H24 AB2C7D21E24 -213.7 2.51 -9.7 -1.44 0
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303653 124490003 1 O4N5C19H27 A4B5C19D27 -135.91 1.6 -8.69 -0.3 1
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303654 124490005 1 N3O4H16C17 A3B4C16D17 -18.24 4.49 0.0 0.0 0
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303655 124490006 3 OC10H16 AB10C16 -204.68 6.21 -9.31 0.7 0
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303657 124490013 2 NO4C10H11 AB4C10D11 -304.64 5.45 -9.85 -1.16 0
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303658 124490014 2 NO4C10H11 AB4C10D11 -307.16 3.88 -9.55 -0.85 0
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303670 124490028 1 NO8C12H25 AB8C12D25 -392.95 4.28 -10.08 0.56 0
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303671 124490029 1 NO5C17H25 AB5C17D25 -266.35 8.23 -10.07 0.21 0
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303672 124490030 1 NO5C17H25 AB5C17D25 -268.51 4.5 -10.12 -0.08 0
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303692 124490058 1 NSO8C17H25 ABC8D17E25 -333.54 4.37 -8.75 0.27 0
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303693 124490059 1 N3O7C25H27 A3B7C25D27 -262.71 6.89 -9.8 -0.77 0
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303699 124490073 1 SO10C18H22 AB10C18D22 -424.35 6.0 -10.4 -0.8 0
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303709 124490085 2 O2C12H15 A2B12C15 -153.05 3.46 -8.76 0.19 0
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303712 124490088 1 O3C21H28 A3B21C28 -141.12 9.0 -9.45 -0.4 0
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303713 124490089 1 SN3O4C13H21 AB3C4D13E21 -176.05 5.64 -9.82 -0.65 0
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303714 124490090 1 SN3O4C13H21 AB3C4D13E21 -172.64 5.41 -9.4 -0.53 0
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303717 124490094 1 O3C18H32 A3B18C32 -162.86 4.26 -9.97 0.59 0
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303718 124490095 2 NO2C7H13 AB2C7D13 -195.27 0.35 -8.78 0.72 0
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303719 124490096 1 N2O4C13H24 A2B4C13D24 -188.15 0.21 -8.88 0.7 0
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303720 124490097 1 NO2C18H19 AB2C18D19 -48.95 4.37 -8.26 -0.15 0
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303721 124490098 1 N3O6C12H13 A3B6C12D13 -180.52 3.21 -10.27 -1.12 0
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303723 124490100 1 FNO4H16C18 ABC4D16E18 -169.43 4.31 -8.94 -0.5 0
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303724 124490101 1 NO2C17H25 AB2C17D25 -88.28 0.43 -8.44 0.18 0
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303725 124490102 1 NO2C17H25 AB2C17D25 -88.65 2.7 -8.74 0.27 0
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303726 124490103 1 NO2C17H23 AB2C17D23 -68.18 3.21 -8.22 0.36 0
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303727 124490105 1 BrO2C11H19 AB2C11D19 -127.73 2.62 -10.61 -0.77 0
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303728 124490106 1 BrO2C11H19 AB2C11D19 -127.31 2.67 -10.61 -0.69 0
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303729 124490107 1 SN4O5C20H28 AB4C5D20E28 -184.61 4.94 -9.63 -1.47 0
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303730 124490108 1 SN4O5C20H28 AB4C5D20E28 -183.48 2.81 -9.6 -1.47 0
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303732 124490110 1 O4C17H24 A4B17C24 -179.5 2.41 -8.82 0.24 0
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303733 124490111 1 SN4O4C21H30 AB4C4D21E30 -160.45 3.8 -9.68 -1.48 0
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303734 124490112 1 SN4O4C21H30 AB4C4D21E30 -159.47 4.48 -9.64 -1.52 0