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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84670 49869240 1 OF5N8H15C21 AB5C8D15E21 -115.88 5.9 -9.57 -1.93 0
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84671 49869251 1 O3N5H15C16 A3B5C15D16 99.4 3.46 -8.88 -1.51 1
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84672 49869263 1 NCl2O3C36H54 AB2C3D36E54 -155.55 6.15 0.0 0.0 0
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84674 49869265 1 ClN2O3C35H54 AB2C3D35E54 -129.7 3.66 0.0 0.0 0
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84675 49869272 1 S3N5O6C26H27 A3B5C6D26E27 -143.33 2.08 -8.95 -1.28 0
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84676 49869287 1 N7O7C44H53 A7B7C44D53 -239.85 7.65 -8.76 -0.45 0
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84677 49869288 1 ClN2O2C17H21 AB2C2D17E21 -71.45 4.99 -8.68 -0.5 0
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84678 49869289 1 OSN2C15H20 ABC2D15E20 -24.45 4.25 -8.65 -0.29 0
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84679 49869290 1 FON2C17H21 ABC2D17E21 -78.95 4.0 -8.78 -0.29 0
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84680 49869291 2 NOC7H9 ABC7D9 -51.14 4.51 -8.71 -0.23 0
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84681 49869294 1 FON3C21H24 ABC3D21E24 -29.07 3.48 -8.19 -0.37 0
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84682 49869299 1 SO7N8C34H50 AB7C8D34E50 -250.3 11.85 -9.61 -0.94 0
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84683 49869300 1 SO5N6C27H44 AB5C6D27E44 -208.95 7.48 -9.39 -0.52 0
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84684 49869302 1 SO3N4H24C25 AB3C4D24E25 -19.69 5.1 -8.0 -1.33 0
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84685 49869303 1 SN3O4C23H25 AB3C4D23E25 -82.94 7.03 -8.12 -0.44 0
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84686 49869304 1 SO3N4H22C23 AB3C4D22E23 -12.77 5.17 -8.08 -1.46 0
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84687 49869306 2 ON2H12C13 AB2C12D13 18.95 5.14 -8.2 -1.01 0
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84688 49869307 1 N4O13C45H78 A4B13C45D78 -596.26 4.08 -8.7 -0.25 0
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84689 49869313 1 N4H20C21 A4B20C21 161.12 2.44 -8.98 -0.39 0
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84690 49869314 1 BrON4H15C16 ABC4D15E16 44.12 7.11 -8.81 -0.55 0
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84691 49869315 1 ClON5H22C23 ABC5D22E23 59.64 5.79 -8.64 -0.68 0
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84692 49869323 1 ClFON3C22H23 ABCD3E22F23 -44.02 2.19 -8.2 -0.23 0
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84693 49869339 1 ClNPSO6C26H31 ABCDE6F26G31 -284.97 2.45 -8.69 -0.73 0
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84694 49869340 1 ClNPSO6C24H27 ABCDE6F24G27 -275.72 3.3 -8.59 -0.65 0
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84695 49869341 1 ClNPSF3O5C20H22 ABCDE3F5G20H22 -410.06 3.73 -9.14 -0.93 0
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84696 49869347 1 OF3N5H20C23 AB3C5D20E23 -89.18 4.87 -8.36 -1.82 0
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84697 49869348 1 O2N3C26H27 A2B3C26D27 1.49 3.36 -8.01 -0.32 0
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84698 49869352 1 F2O2N10C27H34 A2B2C10D27E34 -38.71 8.63 -8.48 -0.96 0
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84699 49869359 1 OCl5N5C26H32 AB5C5D26E32 -62.08 7.05 -8.4 -0.96 0
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84700 49869360 1 OCl3N5C26H30 AB3C5D26E30 2.72 6.65 -8.56 -1.01 0
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84701 49869361 1 OCl3N5C25H28 AB3C5D25E28 8.09 7.73 -8.73 -1.01 0
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84702 49869365 1 ClO2N5C31H34 AB2C5D31E34 -3.69 5.64 -8.8 -0.56 0
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84703 49869374 1 ON4C20H24 AB4C20D24 18.26 3.79 -8.95 -0.74 0
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84704 49869375 1 ON3C16H19 AB3C16D19 -2.02 1.85 -8.93 -0.56 0
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84705 49869376 1 ON3C22H23 AB3C22D23 33.63 2.2 -8.83 -0.54 0
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84706 49869378 1 ON3C22H29 AB3C22D29 -17.86 2.68 -8.72 -0.48 0
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84707 49869379 1 SO2N4C19H24 AB2C4D19E24 -15.32 5.82 -9.12 -1.01 0
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84708 49869381 1 ON8H20C22 AB8C20D22 155.88 7.2 -9.36 -1.63 0
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84709 49869384 2 ON4C11H12 AB4C11D12 58.59 7.96 -9.23 -1.12 0
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84710 49869386 1 ON7H19C25 AB7C19D25 153.47 8.06 -9.27 -1.46 0
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84711 49869390 1 N5O5H15C16 A5B5C15D16 -6.89 1.75 -9.16 -1.58 0
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84712 49869398 1 BrClOSN2H20C21 ABCDE2F20G21 28.87 5.04 -8.86 -1.6 0
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84713 49869402 1 BrNSF2O2C35H46 ABCD2E2F35G46 -96.63 33.89 -5.36 -2.69 0
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84714 49869413 1 ClN3S3O4H20C23 AB3C3D4E20F23 -72.53 5.41 -8.91 -1.28 0
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84715 49869415 1 NO2C15H15 AB2C15D15 -44.36 5.25 -9.52 -0.5 0
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84716 49869416 1 O3N8H14C15 A3B8C14D15 59.82 1.9 -9.06 -1.67 0
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84717 49869418 1 OSN7H9C12 ABC7D9E12 160.46 2.49 -8.81 -2.27 0
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84718 49869419 1 ON7H11C14 AB7C11D14 155.61 2.78 -8.8 -2.22 0
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84719 49869429 1 ON4C19H24 AB4C19D24 33.46 6.08 -8.25 -0.27 0
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84720 49869430 1 N3C20H23 A3B20C23 54.69 4.51 -8.15 -0.18 0
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84721 49869441 1 ClO2N3H20C24 AB2C3D20E24 9.43 3.2 -8.44 -0.68 0
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84722 49869445 1 O2N5H25C26 A2B5C25D26 39.91 4.57 -8.13 -0.87 0
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84723 49869453 1 FON4C21H23 ABC4D21E23 -2.51 5.65 -9.45 -0.63 0
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84724 49869459 1 ON4C24H24 AB4C24D24 60.74 5.36 -8.18 -0.59 0
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84725 49869460 1 OCl2N4C21H22 AB2C4D21E22 3.36 8.26 -8.41 -0.48 0
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84726 49869463 1 N3O3C24H25 A3B3C24D25 -41.49 2.68 -8.02 -0.1 0
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84727 49869469 1 FO2N4C26H27 AB2C4D26E27 -40.69 3.65 -8.28 -0.67 0
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84728 49869471 2 ON2C6H6 AB2C6D6 56.02 4.27 -9.81 -1.04 0
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84729 49869472 1 FON6H19C21 ABC6D19E21 38.24 4.16 -8.77 -0.84 0
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84730 49869477 1 O2N5C17H23 A2B5C17D23 -50.71 1.31 -8.45 -0.19 0
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84731 49869478 1 ClNPSO5C20H25 ABCDE5F20G25 -253.24 4.11 -9.08 -0.7 0
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84732 49869481 1 ClNPSO6C22H29 ABCDE6F22G29 -291.81 6.54 -8.72 -0.69 0
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84733 49869491 1 O2N3H23C24 A2B3C23D24 -3.68 2.42 -8.28 -0.4 0
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84734 49869493 1 N3O3H23C25 A3B3C23D25 -45.17 5.49 -8.47 -0.44 0
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84735 49869509 1 ClO2F3N5C27H31 AB2C3D5E27F31 -197.25 6.75 -8.77 -1.23 0
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84736 49869510 1 SO2N6C21H26 AB2C6D21E26 34.2 10.52 -9.71 -1.26 0
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84737 49869511 1 SO2N6C21H26 AB2C6D21E26 34.17 4.97 -9.41 -1.3 0
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84738 49869512 1 SO2N6C19H24 AB2C6D19E24 6.48 7.2 -9.39 -1.24 0
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84739 49869514 1 SF3O3N4C19H25 AB3C3D4E19F25 -245.63 11.84 -9.68 -0.79 0
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84740 49869515 1 FSO3N4C19H27 ABC3D4E19F27 -131.41 12.19 -9.66 -0.71 0
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84741 49869531 1 O4N5H21C26 A4B5C21D26 98.2 4.66 -8.8 -1.58 0
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84742 49869553 1 NO2C15H15 AB2C15D15 -41.19 4.88 -9.39 -0.55 0
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84743 49869565 2 SO3N4C20H24 AB3C4D20E24 -193.57 6.07 -8.4 -0.8 0
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84744 49869566 1 ON3C21H25 AB3C21D25 13.5 3.63 -8.15 -0.25 0
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84745 49869597 1 SO2N6H22C24 AB2C6D22E24 63.47 6.75 -8.23 -1.51 0
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84746 49869610 1 OSF3N4H7C10 ABC3D4E7F10 -90.13 8.07 -9.87 -1.73 0
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84747 49869612 1 SO3N7C17H19 AB3C7D17E19 -7.2 1.15 -8.81 -0.6 1
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84748 49869623 1 NC30H56 AB30C56 70.1 14.62 0.0 0.0 0
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84749 49869628 1 FO2N5H22C23 AB2C5D22E23 -14.45 2.33 -8.11 -0.93 0
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84750 49869630 1 FO2N4H23C24 AB2C4D23E24 -35.4 4.41 -8.07 -0.63 0
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84751 49869644 1 ON5C27H35 AB5C27D35 7.4 6.73 -8.31 -0.53 0
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84752 49869654 1 FSO3N4C21H29 ABC3D4E21F29 -110.85 12.82 -9.47 -0.72 0
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84753 49869655 1 SF2O2N4C16H20 AB2C2D4E16F20 -130.12 7.42 -10.08 -0.84 0
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84754 49869664 1 ON7H21C27 AB7C21D27 157.76 4.52 -9.18 -1.2 1
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84755 49869677 1 ClNO2C32H47 ABC2D32E47 -101.05 0.88 0.0 0.0 0
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84756 49869694 1 BrF2N2O2C39H59 AB2C2D2E39F59 -216.93 8.08 -7.33 -1.28 0
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84757 49869702 1 N2O14C45H82 A2B14C45D82 -719.88 5.17 -8.86 0.31 0
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84758 49869717 1 F3N3C21H22 A3B3C21D22 -108.48 3.85 -8.28 -0.7 0
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84759 49869723 1 ClSiN3O7C37H62 ABC3D7E37F62 -370.73 1.99 -8.81 0.08 0
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84760 49869730 1 N4O14C43H78 A4B14C43D78 -682.49 9.11 -8.72 -0.13 0
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84761 49869733 1 N4C21H22 A4B21C22 129.13 5.32 -9.06 -0.34 0
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84762 49869745 2 ON2C11H11 AB2C11D11 -2.72 2.92 -8.5 -0.66 0
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84763 49869750 1 O2F3N4H7C10 A2B3C4D7E10 -107.66 8.9 -10.03 -1.52 0
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84764 49869752 1 OSN4C10H10 ABC4D10E10 54.32 7.35 -9.69 -1.19 0
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84765 49869758 1 SO4N6C25H26 AB4C6D25E26 -21.78 7.76 -8.86 -1.08 0
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84766 49869759 1 NSO5C26H39 ABC5D26E39 -210.97 7.39 -9.28 -0.41 0
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84767 49869760 2 O2C11H19 A2B11C19 -206.5 4.72 -9.07 -0.31 0
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84768 49869761 1 O4C25H44 A4B25C44 -221.14 1.36 -8.85 -0.37 0
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84769 49869765 1 NC29H49 AB29C49 60.19 0.81 -8.94 0.78 0
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84770 49869775 1 O2N3C26H27 A2B3C26D27 -1.22 4.04 -8.03 -0.26 0