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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161416 57391610 1 OF3N5H14C15 AB3C5D14E15 -99.8 4.89 -8.99 -0.94 0
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161417 57391612 1 O15N17C85H113 A15B17C85D113 -601.67 8.47 -8.84 -0.69 0
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161418 57391614 2 N3O5C21H22 A3B5C21D22 -313.44 4.81 -8.85 -1.8 0
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161419 57391616 2 NO5H22C23 AB5C22D23 -313.93 11.43 -8.49 -1.34 0
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161420 57391618 1 FNSO3H16C17 ABCD3E16F17 -110.55 6.88 -9.17 -0.85 0
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161421 57391623 1 SCl2O2N3C24H29 AB2C2D3E24F29 -58.06 2.41 -8.32 -1.24 0
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161422 57391624 1 ClSO2N3C24H28 ABC2D3E24F28 -24.94 7.57 -8.4 -1.1 0
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161425 57391648 1 ON4C25H28 AB4C25D28 18.86 2.45 -8.67 -0.63 0
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161426 57391652 1 F3O4N5C15H18 A3B4C5D15E18 -258.63 3.32 -9.22 -0.62 0
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161427 57391657 1 FINO2C19H23 ABCD2E19F23 -90.11 2.4 -8.93 -0.82 0
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161430 57391664 1 NO3C22H25 AB3C22D25 -90.72 2.47 -9.0 -0.63 0
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161431 57391667 1 N2O8C15H20 A2B8C15D20 -332.46 8.68 -9.65 -0.85 0
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161432 57391668 1 ClFNSO4C20H23 ABCDE4F20G23 -204.27 7.76 -9.39 -0.95 0
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161433 57391670 1 OSN4H12C18 ABC4D12E18 76.54 9.85 -8.52 -1.36 0
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161434 57391671 1 O2C15H26 A2B15C26 -132.77 2.78 -9.61 1.43 0
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161435 57391673 1 ON2Cl3H25C42 AB2C3D25E42 139.97 2.74 -8.93 -1.38 0
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161436 57391675 1 ON2F3H17C26 AB2C3D17E26 -89.33 3.35 -8.74 -0.86 0
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161437 57391676 1 N2O3H22C27 A2B3C22D27 4.02 3.2 -8.3 -0.63 0
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161438 57391679 1 S7Na9C38O49H55 A7B9C38D49E55 -2407.98 32.45 -4.68 -0.75 0
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161439 57391682 1 N2O3C27H30 A2B3C27D30 -56.28 3.53 -8.74 -0.04 0
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161440 57391684 1 ClN3O4C23H24 AB3C4D23E24 -98.33 9.74 -9.0 -0.98 0
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161441 57391685 1 F3N4O4C23H23 A3B4C4D23E23 -235.72 11.59 -9.28 -1.6 0
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161443 57391692 1 SN2O2F3C14H19 AB2C2D3E14F19 -219.27 4.07 -8.82 -1.25 0
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161444 57391698 1 SO4N8C27H38 AB4C8D27E38 -73.14 4.93 -7.96 -0.71 0
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161445 57391699 1 SO4N9C30H43 AB4C9D30E43 -67.09 4.83 -7.7 -0.53 0
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161446 57391700 1 ClOF2N3H14C21 ABC2D3E14F21 -38.47 5.41 -9.25 -1.32 0
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161448 57391702 1 N2O4F5H23C27 A2B4C5D23E27 -290.23 5.63 -9.2 -1.25 0
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161449 57391704 1 O2N3C16H17 A2B3C16D17 -8.17 6.13 -9.56 -0.71 0
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161450 57391709 1 INO2F3C20H23 ABC2D3E20F23 -212.14 6.74 -9.3 -1.18 0
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161453 57391714 1 PF3N4O4C21H24 AB3C4D4E21F24 -308.15 8.93 -9.14 -0.86 0
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161454 57391715 1 BrPN4O4C20H24 ABC4D4E20F24 -131.61 6.01 -8.86 -0.59 0
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161455 57391719 1 N9O10C60H79 A9B10C60D79 -345.19 8.17 -8.78 -1.23 0
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161457 57391721 1 S2N3O5C32H47 A2B3C5D32E47 -209.29 7.26 -9.1 -0.46 0
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161458 57391722 1 ClS2N3O5C31H44 AB2C3D5E31F44 -211.22 4.84 -9.2 -0.45 0
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161459 57391724 1 N2H18C25 A2B18C25 122.09 3.71 -8.73 -0.82 0
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161460 57391728 1 NO3C20H33 AB3C20D33 -174.43 5.83 -9.56 -0.25 0
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161461 57391729 1 NSO3C19H19 ABC3D19E19 -55.1 6.69 -9.1 -0.77 0
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161462 57391735 2 FNO2H6C7 ABC2D6E7 -113.25 3.97 -9.77 -1.2 0
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161463 57391738 1 FNO11C40H62 ABC11D40E62 -558.62 4.65 -8.75 -0.42 0
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161464 57391741 1 N2O11C39H60 A2B11C39D60 -468.7 8.88 -9.25 -0.24 0
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161466 57391750 1 N9O11C50H69 A9B11C50D69 -472.17 9.33 -8.99 -1.14 0
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161468 57391752 1 N9O11C51H71 A9B11C51D71 -433.47 7.42 -8.93 -0.92 0
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161469 57391753 1 BrN7C28H30 AB7C28D30 146.94 19.38 -7.23 -1.1 1
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161470 57391758 1 N7C26H26 A7B26C26 161.54 2.82 0.0 0.0 0
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161471 57391759 1 BrN7C30H34 AB7C30D34 175.5 30.44 -6.51 -1.89 1
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161472 57391760 1 N7C30H34 A7B30C34 140.95 4.45 0.0 0.0 0
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161473 57391761 2 SN2O4C15H18 AB2C4D15E18 -286.86 2.48 -8.8 -1.76 0
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161474 57391766 1 F3O3N5C24H28 A3B3C5D24E28 -239.05 6.11 -8.86 -1.4 0
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161475 57391767 1 F3N4O4C27H33 A3B4C4D27E33 -304.04 2.57 -8.85 -1.2 0
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161476 57391768 1 F3O3N5C24H28 A3B3C5D24E28 -240.84 5.11 -8.88 -1.24 0