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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217451 85087846 1 NO4C22H23 AB4C22D23 -114.18 3.6 -8.02 -0.25 0
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217452 85087847 1 N3O3C21H23 A3B3C21D23 -16.0 0.99 -9.12 -0.58 0
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217453 85087848 1 N3O4C19H31 A3B4C19D31 -207.54 6.01 -8.64 0.26 0
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217454 85087849 1 NSO2C22H23 ABC2D22E23 -8.13 3.41 -8.28 -0.23 0
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217455 85087851 1 SO2N3C19H31 AB2C3D19E31 -103.25 2.88 -8.68 -0.28 0
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217456 85087852 1 ClSN5O6C10H12 ABC5D6E10F12 -173.74 3.62 -10.09 -1.47 0
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217457 85087853 2 FN2O2C8H10 AB2C2D8E10 -234.7 6.27 -9.01 -0.98 0
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217458 85087855 1 SO7C17H18 AB7C17D18 -267.89 2.61 -8.92 -0.49 0
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217459 85087856 1 SO2N6C17H18 AB2C6D17E18 3.33 3.72 -8.82 -0.68 0
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217460 85087857 2 NO3C9H13 AB3C9D13 -186.04 6.77 -9.12 -0.62 0
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217461 85087859 1 N2O3C22H26 A2B3C22D26 -97.24 3.48 -9.44 0.07 0
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217462 85087860 1 N2O3C22H26 A2B3C22D26 -59.98 4.07 -8.88 -1.0 0
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217463 85087861 1 N2O3C22H26 A2B3C22D26 -81.63 6.53 -8.71 -0.74 0
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217464 85087862 1 SO5C19H26 AB5C19D26 -188.2 2.2 -8.83 -0.27 1
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217465 85087863 1 SO5C19H27 AB5C19D27 -206.55 3.16 0.0 0.0 0
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217466 85087864 1 FON2C23H27 ABC2D23E27 -28.04 2.69 -8.78 -0.57 0
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217467 85087866 1 N2O2C23H30 A2B2C23D30 -77.36 8.07 -8.2 -0.59 0
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217468 85087867 1 SiO5C19H30 AB5C19D30 -281.43 3.22 -8.96 -0.89 0
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217469 85087868 1 SiO4C20H34 AB4C20D34 -243.81 2.98 -9.24 -0.85 0
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217470 85087869 2 OSC10H15 ABC10D15 -108.15 2.96 -8.16 0.36 0
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217471 85087871 1 ION5H10C12 ABC5D10E12 97.08 5.13 -9.09 -1.68 0
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217472 85087872 1 BrN2O2H15C18 AB2C2D15E18 -10.08 7.62 -9.64 -0.52 0
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217473 85087873 1 BrO3C18H23 AB3C18D23 -118.37 2.92 -8.81 0.08 0
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217474 85087874 1 SeO4C17H20 AB4C17D20 -96.43 6.67 -9.07 -0.61 0
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217475 85087876 1 NO3H17C24 AB3C17D24 6.85 2.94 -9.42 -1.76 0
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217476 85087877 1 SN3O3H17C19 AB3C3D17E19 -3.61 3.14 -9.64 -1.5 0
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217477 85087878 1 NO4C22H25 AB4C22D25 -1.22 7.93 -8.63 -0.93 0
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217478 85087880 1 O2N5C20H27 A2B5C20D27 -39.96 4.42 -8.73 -0.59 0
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217479 85087883 1 BrOSN3C15H18 ABCD3E15F18 19.48 4.9 -8.27 -0.52 0
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217480 85087884 1 F2N2O5C17H18 A2B2C5D17E18 -276.0 1.8 -9.43 -0.84 0
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217481 85087885 1 O7H16C20 A7B16C20 -198.19 5.73 -8.86 -1.02 0
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217482 85087886 1 N2O6H16C19 A2B6C16D19 -198.28 6.02 -9.11 -2.26 0
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217483 85087889 1 SN4O8C11H20 AB4C8D11E20 -312.05 8.61 -9.97 -0.72 0
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217484 85087890 1 O6H20C21 A6B20C21 -169.84 3.68 -8.72 -0.9 0
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217485 85087891 1 O5C22H24 A5B22C24 -170.17 6.01 -9.43 -0.55 0
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217486 85087892 1 O3N4C20H24 A3B4C20D24 2.7 9.17 -9.24 -1.68 0
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217487 85087893 2 O3C10H16 A3B10C16 -309.9 0.91 -9.84 0.83 0
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217488 85087895 1 BrLiZnC16H24 ABCD16E24 47.4 7.89 -6.66 0.38 0
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217489 85087896 1 SiO3C21H40 AB3C21D40 -239.31 0.76 -8.91 1.19 0
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217490 85087897 1 ClON6H17C18 ABC6D17E18 51.15 7.01 -8.76 -1.18 0
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217491 85087898 1 ClO3C21H33 AB3C21D33 -173.54 5.04 -8.98 0.66 0
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217492 85087899 1 SCl2N2O2C16H16 AB2C2D2E16F16 -69.4 4.95 -9.32 -0.61 1
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217493 85087900 1 N5O6H10C16 A5B6C10D16 -38.26 9.33 0.0 0.0 0
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217494 85087901 1 SeO3C18H26 AB3C18D26 -119.52 6.57 -8.69 -0.44 0
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217495 85087903 1 O4N5C18H19 A4B5C18D19 -59.86 2.89 -9.63 -1.1 0
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217496 85087904 1 SF2N3O3C16H17 AB2C3D3E16F17 -161.58 3.26 -9.65 -0.57 0
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217497 85087905 1 SN3O6C15H19 AB3C6D15E19 -142.8 5.0 -9.4 -1.01 0
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217498 85087906 1 NO5C21H23 AB5C21D23 -143.02 2.63 -9.12 -0.47 0
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217499 85087907 1 SN3O3C19H19 AB3C3D19E19 -44.78 4.61 -9.59 -1.5 0
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217500 85087908 1 SO2N3C20H23 AB2C3D20E23 -24.17 1.74 -9.31 -0.69 0
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217501 85087909 1 NO3C23H31 AB3C23D31 -115.54 1.75 -8.62 0.25 0
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217502 85087911 1 O2N3C22H31 A2B3C22D31 -77.78 5.22 -9.13 0.13 0
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217503 85087912 1 NSiO5C18H31 ABC5D18E31 -279.96 4.31 -9.54 0.62 0
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217504 85087913 1 NO4C21H39 AB4C21D39 -265.66 0.75 -9.71 0.97 0
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217505 85087914 1 NSiO4C19H35 ABC4D19E35 -269.78 8.47 -9.71 0.3 0
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217506 85087916 1 ClO4N5C15H20 AB4C5D15E20 -175.12 5.01 -9.6 -1.03 0
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217507 85087917 1 Br2O4C11H14 A2B4C11D14 -169.06 2.45 -10.61 -1.0 0
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217508 85087919 1 O6C21H22 A6B21C22 -172.41 5.06 -8.22 -0.39 0
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217509 85087921 1 O6C21H22 A6B21C22 -214.83 6.01 -9.28 -1.08 0
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217510 85087923 1 IOSi2C12H27 ABC2D12E27 -124.74 3.91 -8.61 -0.58 0
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217511 85087924 1 SN2O4C19H20 AB2C4D19E20 -125.64 4.94 -9.48 -0.9 0
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217512 85087925 1 N2O4C21H26 A2B4C21D26 -57.91 3.62 -9.99 -1.71 0
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217513 85087926 1 SO4C21H22 AB4C21D22 -4.97 4.11 -9.29 -0.48 0
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217514 85087927 1 SO4C21H22 AB4C21D22 0.99 5.73 -9.4 -0.3 0
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217515 85087928 2 OC13H13 AB13C13 88.37 3.06 -8.83 -0.16 0
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217516 85087929 2 OC13H13 AB13C13 80.91 6.09 -8.62 -1.32 0
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217517 85087932 1 ClSO2N4H11C17 ABC2D4E11F17 60.87 7.27 -8.56 -1.95 0
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217518 85087933 1 ClO2C23H27 AB2C23D27 -71.05 5.15 -8.8 -0.93 0
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217519 85087935 1 BrFN2O2C16H20 ABC2D2E16F20 -117.16 5.06 -8.75 -0.75 0
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217520 85087936 1 O2N5C21H21 A2B5C21D21 23.77 6.92 -9.11 -1.18 0
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217521 85087937 1 SN3O4H17C18 AB3C4D17E18 -71.38 5.07 -9.62 -1.37 0
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217522 85087938 1 SN3O4H17C18 AB3C4D17E18 -74.25 10.8 -8.51 -0.44 0
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217523 85087939 1 O4N7C15H29 A4B7C15D29 -89.24 4.39 -9.21 -1.25 0
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217524 85087940 1 NSO6C17H25 ABC6D17E25 -269.12 4.33 -9.3 -0.21 0
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217525 85087941 1 NO6C19H33 AB6C19D33 -319.29 2.51 -9.69 0.43 0