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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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16688 474741 1 FN4O4C25H27 AB4C4D25E27 -120.16 13.04 -9.11 -1.12 0
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16689 474743 1 BrFO4N5C23H23 ABC4D5E23F23 -98.65 9.45 -9.35 -1.26 0
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16690 474744 1 BrFN4O4C24H24 ABC4D4E24F24 -108.69 10.22 -9.09 -1.08 0
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16691 474764 1 SO2N6C28H30 AB2C6D28E30 58.6 5.12 -8.37 -0.89 0
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16692 474930 1 SO4N6C11H14 AB4C6D11E14 -79.16 11.15 -9.23 -0.99 0
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16693 475115 1 SN2O5C10H14 AB2C5D10E14 -218.62 5.09 -9.66 -0.87 0
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16694 475147 2 NSO3C16H22 ABC3D16E22 -235.55 10.46 -8.06 -0.5 0
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16695 475155 1 PO4N5C12H18 AB4C5D12E18 -153.86 3.41 -8.97 -0.55 0
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16696 475179 1 ClN3O5C28H36 AB3C5D28E36 -229.97 7.28 -8.94 -0.36 0
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16697 475199 1 ClFN3O5C27H33 ABC3D5E27F33 -270.75 8.34 -9.67 -0.93 0
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16698 475202 1 ClN3F4O5C28H32 AB3C4D5E28F32 -432.02 1.55 -9.4 -0.68 0
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16699 475205 1 ClF3N3O5C29H35 AB3C3D5E29F35 -396.35 4.49 -8.96 -0.78 0
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16700 475221 1 SN2O5C27H32 AB2C5D27E32 -167.95 4.08 -9.21 -0.42 0
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16701 475268 1 O13H18C20 A13B18C20 -493.23 6.4 -9.18 -1.24 0
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16702 475269 1 O17H22C27 A17B22C27 -629.53 2.28 -9.14 -1.23 0
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16703 475270 1 O21H24C34 A21B24C34 -754.87 7.63 -9.12 -1.29 0
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16704 475309 2 NO2C5H6 AB2C5D6 -92.48 6.44 -10.07 -0.69 0
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16705 475375 1 O43C94H148 A43B94C148 -1944.91 13.39 -8.97 -2.71 0
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16706 475450 1 Cl2N2O2H18C19 A2B2C2D18E19 -66.65 5.6 -8.56 -0.55 0
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16707 475531 1 N4O5C18H30 A4B5C18D30 -236.05 4.63 -9.64 -0.31 0
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16708 475607 1 ClON2C17H23 ABC2D17E23 -38.52 2.55 -9.03 -0.46 0
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16709 475625 1 ClSN2O2C17H23 ABC2D2E17F23 -88.7 3.53 -8.86 -0.77 0
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16710 475628 1 ClN2O3C18H25 AB2C3D18E25 -143.31 2.56 -8.93 -0.46 0
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16711 475666 1 SO2N3H17C20 AB2C3D17E20 42.23 10.43 -9.01 -1.13 0
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16712 475672 1 ClSN2O3C12H13 ABC2D3E12F13 -95.35 5.78 -9.13 -0.98 0
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16713 475685 3 SN3O3C23H31 AB3C3D23E31 -238.13 7.85 -8.51 -0.82 0
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16714 475928 1 F3O4N5H18C20 A3B4C5D18E20 -225.1 9.9 -9.43 -1.63 0
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16715 475939 1 ClNO4C16H18 ABC4D16E18 -160.7 5.78 -8.61 -0.34 0
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16716 475950 1 SN2O8C27H36 AB2C8D27E36 -296.51 4.96 -9.26 -0.12 0
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16717 475960 1 ClO3N4C30H41 AB3C4D30E41 -135.35 4.21 -9.09 -1.12 0
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16718 475961 1 N3O4C33H47 A3B4C33D47 -193.32 5.08 -9.12 -0.26 0
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16719 475962 1 N3O4C27H37 A3B4C27D37 -170.58 2.89 -9.05 -0.44 0
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16720 475965 1 FN3O3C32H44 AB3C3D32E44 -191.26 4.15 -9.11 -0.58 0
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16721 475977 1 N3O4C34H49 A3B4C34D49 -192.47 3.86 -8.71 -0.31 0
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16722 476009 1 SN3O3C34H37 AB3C3D34E37 -75.62 6.76 -8.43 -0.71 0
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16723 476043 2 N3C7H7 A3B7C7 94.63 2.68 -8.0 -0.62 0
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16724 476044 1 ClN6H11C13 AB6C11D13 80.85 2.64 -8.37 -0.86 0
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16725 476045 2 N3C11H15 A3B11C15 49.03 2.82 -8.04 -0.54 0
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16726 476047 1 N4F6O13C55H88 A4B6C13D55E88 -947.01 7.03 -8.64 -1.54 0
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16727 476059 1 O5N6C40H50 A5B6C40D50 -136.78 7.23 -9.09 -0.53 0
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16728 476060 1 O7C19H20 A7B19C20 -289.41 6.97 -9.24 -0.94 0
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16729 476087 1 PO5N6C12H19 AB5C6D12E19 -202.68 5.15 -8.41 -0.1 0
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16730 476090 1 PO4N6C14H17 AB4C6D14E17 -136.5 2.89 -8.38 -0.39 0
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16731 476106 1 O6N7C20H21 A6B7C20D21 -154.37 7.24 -9.25 -0.7 0
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16732 476159 1 S2O7N8C22H28 A2B7C8D22E28 -210.26 6.58 -9.04 -0.48 0
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16733 476164 1 N6O7C20H22 A6B7C20D22 -198.72 16.93 -9.05 -0.59 0
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16734 476168 1 O6N7C21H25 A6B7C21D25 -160.53 3.46 -8.98 -0.61 0
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16735 476172 1 SN4C18H20 AB4C18D20 89.34 1.61 -8.63 -0.86 0
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16736 476179 1 SN4C20H24 AB4C20D24 68.08 3.59 -8.67 -0.8 0
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16737 476183 1 SN4C18H20 AB4C18D20 77.68 6.24 -8.14 -0.22 0
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16738 476184 1 SN4C20H24 AB4C20D24 70.29 2.14 -8.4 -0.25 0
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16739 476185 1 SO2N4C20H24 AB2C4D20E24 6.42 1.64 -8.18 -0.48 0
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16740 476186 1 SO2N4C22H28 AB2C4D22E28 -5.98 5.05 -8.24 -0.37 0
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16744 476220 1 N5C27H33 A5B27C33 56.62 1.44 -8.17 -0.23 0
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16745 476221 1 N5H13C14 A5B13C14 90.43 0.73 -8.82 -0.94 0
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16746 476223 1 O3N4C11H14 A3B4C11D14 -83.97 7.96 -9.14 -0.51 0
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16747 476227 1 N2O3C25H28 A2B3C25D28 -22.57 3.25 -9.05 -0.18 0
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16748 476247 1 N6C17H18 A6B17C18 111.18 4.84 -8.98 -1.14 0
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16749 476249 1 N7C17H19 A7B17C19 128.55 4.47 -8.9 -1.01 0
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16750 476278 1 ClN2S2O3H11C13 AB2C2D3E11F13 -72.67 6.52 -9.26 -1.27 0
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16751 476287 1 S2N3O4H13C14 A2B3C4D13E14 -106.6 2.39 -9.36 -1.26 0
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16752 476351 2 SN2O4C11H11 AB2C4D11E11 -314.18 4.23 -8.74 -1.12 0
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16753 476378 2 NSO3C14H16 ABC3D14E16 -221.89 10.08 -8.71 -1.03 0
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16754 476379 2 NSO3C15H18 ABC3D15E18 -230.98 6.73 -8.56 -0.89 0
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16755 476383 2 NSO3C16H20 ABC3D16E20 -214.33 2.18 -8.84 -1.37 0
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16756 476394 2 SN2O3C14H15 AB2C3D14E15 -182.21 10.06 -8.88 -1.26 0
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16757 476422 1 N14O16C47H74 A14B16C47D74 -679.56 6.49 -8.62 -0.68 0
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16758 476479 1 IPN2O5C10H14 ABC2D5E10F14 -235.01 3.57 -9.77 -1.72 0
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16759 476484 1 ON2C15H24 AB2C15D24 -62.24 5.56 -8.74 1.24 0
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16760 476502 1 N3O5H19C20 A3B5C19D20 -22.79 11.52 -9.45 -0.82 0
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16761 476504 1 N4O5H18C20 A4B5C18D20 -25.11 10.42 -9.6 -0.91 0
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16762 476542 1 O13C41H66 A13B41C66 -646.5 5.0 -9.64 0.72 0
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16763 476557 1 BrN3O9H32C33 AB3C9D32E33 -296.39 4.52 -8.59 -1.6 0
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16764 476566 1 Cl2O7H18C27 A2B7C18D27 -175.6 0.99 -8.93 -1.17 0
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16765 476590 1 N5C12H13 A5B12C13 131.44 5.3 -9.07 -0.41 0
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16766 476598 2 N3C5H5 A3B5C5 162.82 2.41 -8.55 -0.69 0
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16767 476599 1 O4N5C15H17 A4B5C15D17 -41.16 1.22 -8.64 -0.91 0
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16768 476603 1 S2N3O14C43H83 A2B3C14D43E83 -743.66 6.51 -10.19 -1.29 0
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16769 476618 1 FN4O7C40H47 AB4C7D40E47 -318.0 6.39 -9.0 -0.55 0
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16770 476623 1 F2N6O9C46H56 A2B6C9D46E56 -449.26 8.74 -8.89 -0.45 0
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16771 476633 1 N8O15C42H64 A8B15C42D64 -731.61 9.78 -9.4 -0.14 0
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16772 476650 1 N10O13C45H64 A10B13C45D64 -591.11 15.91 -9.48 -0.03 0
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16773 476651 1 O10N12C43H72 A10B12C43D72 -475.07 9.9 -8.97 -0.18 0
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16774 476692 1 N11O14C41H63 A11B14C41D63 -582.21 7.62 -7.78 -0.57 0
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16775 476725 3 O4N5C15H23 A4B5C15D23 -503.65 7.45 -9.08 -0.2 0
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16776 476727 1 N13O15C31H53 A13B15C31D53 -701.46 21.98 -9.38 -0.43 0
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16777 476728 1 SN8O15C34H58 AB8C15D34E58 -722.27 10.95 -8.82 -0.43 0
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16778 476731 2 N4O7C17H30 A4B7C17D30 -705.84 9.51 -10.16 -0.12 0
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16779 476771 1 F2N4O7C40H46 A2B4C7D40E46 -362.06 4.8 -8.84 -0.39 0
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16780 476777 1 NO5C24H26 AB5C24D26 -120.31 5.44 0.0 0.0 1
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16781 476783 1 O13H26C30 A13B26C30 -479.6 7.4 -8.75 -0.88 0
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16782 476787 1 N3O5C15H21 A3B5C15D21 -217.83 4.46 -9.74 -0.66 0
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16783 476795 1 PN2O6C28H59 AB2C6D28E59 -415.3 13.8 -9.07 -0.36 0
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16784 476796 1 PN2O6C28H60 AB2C6D28E60 -392.91 2.87 0.0 0.0 1
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16785 476805 1 PS2N5O21C34H50 AB2C5D21E34F50 -937.46 6.77 -9.29 -0.57 0
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16786 476809 1 PN4O7C19H25 AB4C7D19E25 -321.61 6.77 -9.51 -0.31 0
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16787 476816 1 N5O5C28H41 A5B5C28D41 -154.25 3.03 -9.44 -0.64 0
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16788 476817 1 N5O5C28H43 A5B5C28D43 -177.17 2.68 -9.59 -0.64 0
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16789 476825 1 N2O5C28H42 A2B5C28D42 -225.51 6.23 -9.47 -0.45 0
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16790 476834 2 N4C14H31 A4B14C31 -29.34 3.98 -8.33 2.56 0