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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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303543 124489881 1 BrN2O3H15C16 AB2C3D15E16 -89.3 4.27 -8.98 -1.0 0
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303544 124489882 1 BrN2O3H15C16 AB2C3D15E16 -88.4 5.39 -9.01 -0.96 0
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303545 124489883 1 BrN2O3H15C16 AB2C3D15E16 -82.53 5.76 -9.18 -0.84 0
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303546 124489884 1 BrN3O4H12C14 AB3C4D12E14 -39.56 7.04 -9.07 -1.44 0
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303547 124489885 1 BrON2C19H21 ABC2D19E21 -11.34 2.15 -8.77 -0.38 0
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303550 124489889 2 N2O2C11H11 A2B2C11D11 -130.86 3.42 -8.86 -0.94 0
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303551 124489890 2 NO2C9H12 AB2C9D12 -155.11 5.19 -8.27 0.1 0
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303552 124489896 1 O2N3H27C28 A2B3C27D28 -11.19 7.34 -8.32 -0.29 0
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303553 124489897 1 BrO2N3H20C21 AB2C3D20E21 -22.01 7.58 -8.76 -0.54 0
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303554 124489898 1 SO3N4C20H22 AB3C4D20E22 -81.1 3.1 -9.16 -0.96 0
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303555 124489899 1 SO3N4C18H18 AB3C4D18E18 -76.69 2.86 -9.04 -0.97 0
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303556 124489900 1 N2O4C19H24 A2B4C19D24 -158.95 4.51 -8.91 -0.55 0
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303557 124489901 1 N3O5C24H25 A3B5C24D25 -180.43 2.38 -9.43 -1.01 0
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303558 124489902 1 N2O4C17H22 A2B4C17D22 -147.76 6.24 -8.59 -0.23 0
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303559 124489903 1 N3O5C23H23 A3B5C23D23 -172.94 2.48 -9.44 -1.0 0
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303560 124489905 1 SO3N4C20H22 AB3C4D20E22 -76.58 0.49 -9.13 -0.91 0
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303561 124489906 1 ClN2O3C17H21 AB2C3D17E21 -124.28 4.88 -8.74 -0.4 0
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303562 124489907 1 N4O4C23H24 A4B4C23D24 -134.06 3.68 -8.54 -0.87 0
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303563 124489908 1 N3O4C21H21 A3B4C21D21 -117.43 1.46 -8.54 -0.85 0
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303564 124489909 1 N4O4C25H28 A4B4C25D28 -145.35 3.7 -8.54 -0.86 0
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303565 124489910 1 N3O5C23H25 A3B5C23D25 -170.83 1.58 -8.98 -0.82 0
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303566 124489911 1 N3O4C24H25 A3B4C24D25 -128.66 3.33 -9.34 -0.99 0
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303567 124489912 1 N4O4C23H24 A4B4C23D24 -136.59 3.84 -8.89 -0.91 0
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303568 124489913 1 N3O4H19C21 A3B4C19D21 -112.21 3.44 -9.36 -1.01 0
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303569 124489914 1 BrO2N3H20C21 AB2C3D20E21 -21.96 5.52 -8.71 -0.51 0
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303570 124489915 1 N3O5C23H25 A3B5C23D25 -168.71 1.03 -8.96 -0.87 0
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303571 124489916 1 N3O4C24H25 A3B4C24D25 -129.66 3.73 -9.31 -0.99 0
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303572 124489917 1 N2O6C25H32 A2B6C25D32 -219.71 2.32 -8.01 0.4 0
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303573 124489918 2 NO2C9H12 AB2C9D12 -153.52 3.87 -8.24 -0.01 0
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303574 124489919 1 N3O4C23H25 A3B4C23D25 -130.46 1.96 -8.87 -0.88 0
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303575 124489920 1 BrN2O3C16H19 AB2C3D16E19 -104.66 3.55 -9.12 -0.77 0
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303576 124489921 1 ClN2O3C16H19 AB2C3D16E19 -117.15 4.14 -9.11 -0.72 0
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303577 124489922 1 FSN2O3C17H19 ABC2D3E17F19 -148.54 7.79 -9.57 -1.73 0
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303578 124489924 1 ClSN2O3C17H19 ABC2D3E17F19 -107.32 7.77 -9.8 -1.34 0
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303579 124489926 1 N2O7C13H18 A2B7C13D18 -219.64 6.85 -9.35 -1.34 0
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303580 124489927 1 O5C20H34 A5B20C34 -255.69 6.72 -9.85 0.49 0
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303581 124489928 1 O5C20H34 A5B20C34 -255.66 4.66 -9.94 0.44 0
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303582 124489929 1 O5C20H32 A5B20C32 -247.77 6.68 -9.04 0.49 0
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303583 124489930 1 O5C20H32 A5B20C32 -228.11 7.0 -9.19 0.55 0
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303584 124489931 1 NO7C8H13 AB7C8D13 -313.86 0.7 -10.29 -0.14 0
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303585 124489932 1 NO7C8H13 AB7C8D13 -310.52 3.99 -10.63 0.05 0
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303586 124489933 1 NO7C8H13 AB7C8D13 -309.42 4.53 -10.43 0.15 0
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303589 124489936 1 O8C15H18 A8B15C18 -307.62 6.91 -9.48 -1.13 0
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303590 124489937 1 O8C15H18 A8B15C18 -313.41 6.07 -9.76 -1.23 0
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303591 124489938 3 NO2C4H7 AB2C4D7 -247.31 6.25 -9.94 -0.01 0
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303592 124489940 1 SN4O4C16H28 AB4C4D16E28 -203.43 5.78 -9.18 -0.05 0
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303593 124489941 1 SN4O4C16H28 AB4C4D16E28 -188.9 5.47 -9.22 -0.1 0
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303594 124489942 1 O8C15H18 A8B15C18 -311.81 5.09 -9.65 -1.01 0
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303595 124489943 1 O8C15H18 A8B15C18 -313.35 5.52 -9.76 -1.09 0
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303596 124489944 2 O2C10H15 A2B10C15 -159.14 7.92 -9.78 -1.22 0
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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