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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185700 77335087 1 SiO5C12H26 AB5C12D26 -310.27 2.65 -9.09 0.98 0
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185701 77335217 4 N2O2C12H13 A2B2C12D13 -226.56 4.7 -8.51 -0.94 0
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185702 77335370 1 O6N8C47H56 A6B8C47D56 -191.5 3.43 -8.41 -0.57 0
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185703 77335970 1 N3O3C7H7 A3B3C7D7 22.14 4.99 -10.74 -2.17 0
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185704 77335999 2 O3N4C24H25 A3B4C24D25 -127.12 4.64 -8.26 -0.76 0
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185705 77336000 1 NPO8C35H42 ABC8D35E42 -290.16 6.65 -8.54 -0.21 0
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185706 77336001 1 O6N8C49H54 A6B8C49D54 -133.44 6.13 -8.39 -0.47 0
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185707 77336002 2 O3N4C24H28 A3B4C24D28 -135.83 5.03 -8.92 -0.87 0
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185708 77336003 1 PSN2O8C33H39 ABC2D8E33F39 -288.55 3.65 -8.6 -0.14 0
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185709 77336004 1 NPO6C24H34 ABC6D24E34 -275.54 4.11 -9.06 0.05 0
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185710 77336005 1 NPO5C21H36 ABC5D21E36 -287.54 5.78 -9.2 0.01 0
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185711 77336006 1 NPO5C21H36 ABC5D21E36 -298.12 4.19 -8.96 0.0 0
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185712 77336007 1 SCl2N2O2F3C19H19 AB2C2D2E3F19G19 -203.91 2.17 -9.44 -0.95 1
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185713 77336008 1 NPSiO8C37H53 ABCD8E37F53 -371.12 7.21 0.0 0.0 0
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185714 77336551 2 ON2H13C16 AB2C13D16 89.58 2.26 -8.32 -0.73 0
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185715 77336556 1 OC22H30 AB22C30 -49.14 2.26 -8.43 0.47 0
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185716 77337123 1 FO3N4C21H33 AB3C4D21E33 -158.15 5.93 -9.0 -0.23 0
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185717 77337929 1 ClO3N8C32H37 AB3C8D32E37 69.8 10.39 -8.48 -1.54 0
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185718 77338055 1 BN4O6C13H18 AB4C6D13E18 -183.83 6.06 0.0 0.0 0
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185719 77338196 1 N2O3C21H28 A2B3C21D28 -119.39 4.69 -9.13 -0.79 0
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185720 77339554 1 SSiN4O8C26H34 ABC4D8E26F34 -254.21 15.12 -9.47 -1.56 0
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185721 77339822 1 NO2C23H27 AB2C23D27 -40.56 1.68 -8.62 -0.2 0
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185722 77340121 1 N2O5C30H52 A2B5C30D52 -254.95 2.36 -8.08 0.41 0
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185723 77340175 1 S2O9N10C32H48 A2B9C10D32E48 -275.98 5.42 -8.76 -0.79 0
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185724 77340524 1 SN2O6C20H22 AB2C6D20E22 -188.57 6.35 -9.36 -0.45 0
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185725 77340533 1 ClN2O2C26H33 AB2C2D26E33 -101.9 6.86 -8.76 -0.26 0
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185726 77340534 1 ClFO4N6H20C21 ABC4D6E20F21 -73.73 4.92 -9.75 -1.58 0
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185727 77340535 1 O3C17H24 A3B17C24 -119.7 1.37 -9.07 -0.65 0
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185728 77340536 1 NaSN2O6C17H17 ABC2D6E17F17 -247.88 13.76 -8.66 -0.31 0
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185729 77340812 1 O3N4C7H8 A3B4C7D8 -82.89 3.72 -10.55 -0.59 0
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185730 77341383 1 SN3O7C38H39 AB3C7D38E39 -196.9 3.71 -8.74 -0.76 0
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185731 77341549 1 SN3O9C42H45 AB3C9D42E45 -299.44 4.7 -9.1 -0.44 0
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185732 77341607 2 OC13H19 AB13C19 -70.36 5.24 -9.74 0.72 0
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185733 77341608 1 SiO3C24H34 AB3C24D34 -114.91 1.71 -8.49 0.08 0
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185734 77341805 1 ClO2N3H14C17 AB2C3D14E17 32.01 2.58 -9.48 -1.49 0
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185735 77341806 1 O3N4H18C19 A3B4C18D19 -9.57 4.78 -9.34 -1.44 0
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185736 77342088 1 N6O6C47H54 A6B6C47D54 -143.43 5.28 -9.33 -0.45 0
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185737 77342089 1 SiO4C25H47 AB4C25D47 -259.59 2.63 0.0 0.0 0
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185738 77342090 1 O7C25H34 A7B25C34 -287.59 5.1 -9.21 -0.48 0
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185739 77342658 1 N2O2C13H18 A2B2C13D18 -75.36 2.06 -9.62 -0.06 0
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185740 77342659 1 O2N6C13H18 A2B6C13D18 223.82 4.81 -7.25 -0.48 0
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185741 77342660 1 ClON6C19H23 ABC6D19E23 66.03 5.24 -8.46 -0.35 0
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185742 77342661 1 O4C31H32 A4B31C32 -74.8 3.08 -8.14 0.08 0
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185743 77342718 1 O2N3C22H33 A2B3C22D33 -96.49 3.6 -8.16 0.2 0
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185744 77342748 1 ON5C9H17 AB5C9D17 -5.25 3.83 -8.75 0.21 0
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185745 77342749 2 FO3C15H17 AB3C15D17 -300.86 6.87 -9.33 -1.23 0
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185746 77342759 1 O14C17H34 A14B17C34 -653.56 5.37 -10.19 0.02 0
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185747 77343285 1 N3O5C24H31 A3B5C24D31 -190.45 6.56 -8.36 -0.1 0
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185748 77343473 1 O3N5C21H29 A3B5C21D29 -108.24 2.17 -8.69 0.25 0
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185749 77343699 1 F3H25C28 A3B25C28 -75.12 1.41 -9.05 -0.38 0