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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383055 134974558 2 H9C10 A9B10 95.44 0.69 -9.11 0.17 0
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383056 134974559 20 CH AB 63.34 0.78 -9.02 0.05 0
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383057 134974560 1 N6O7H40C41 A6B7C40D41 -170.16 2.63 -8.52 -0.32 0
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383058 134974561 1 N7O8C43H49 A7B8C43D49 -268.88 6.48 -8.45 -0.37 0
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383059 134974562 1 NO4C13H13 AB4C13D13 -136.18 3.13 -9.04 -0.57 0
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383060 134974563 1 O7C20H28 A7B20C28 -264.41 4.73 -8.93 0.09 0
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383061 134974567 1 NSO4C15H19 ABC4D15E19 -137.39 3.98 -8.75 -0.4 0
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383062 134974568 1 SiO4C26H44 AB4C26D44 -189.68 1.66 -8.73 -0.16 0
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383063 134974569 1 ISiO3C22H35 ABC3D22E35 -113.46 2.21 -8.7 -1.19 0
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383064 134974571 1 SiO2C21H36 AB2C21D36 -101.45 1.42 -8.8 0.0 0
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383065 134974572 1 SiO2C23H38 AB2C23D38 -76.99 3.27 -8.72 -0.47 0
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383066 134974573 2 NOC11H14 ABC11D14 -57.45 4.75 -8.16 0.21 0
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383067 134974574 2 NOC10H11 ABC10D11 -46.77 3.85 -8.12 -0.28 0
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383068 134974576 1 O3N4H28C30 A3B4C28D30 -41.49 5.54 -8.49 -0.82 0
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383069 134974577 1 NO7C23H29 AB7C23D29 -236.81 4.79 -9.72 -1.37 0
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383070 134974578 1 NO3C18H25 AB3C18D25 -112.71 4.27 -8.58 0.25 0
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383071 134974579 1 N2O3C17H20 A2B3C17D20 -100.63 5.67 -8.85 -0.66 0
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383072 134974580 1 SO2N3C18H19 AB2C3D18E19 -29.07 10.62 -8.41 -1.19 0
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383073 134974581 1 O3C10H12 A3B10C12 -78.44 1.67 -9.72 0.04 1
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383074 134974582 1 O2N3C13H16 A2B3C13D16 -26.41 9.76 0.0 0.0 0
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383075 134974584 3 NOC6H7 ABC6D7 -98.19 5.75 -8.77 0.08 2
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383076 134974585 1 PdO2P2H30C33 AB2C2D30E33 110.57 13.22 -6.17 -1.18 0
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383078 134974589 1 NSO2C11H14 ABC2D11E14 -34.32 5.6 0.0 0.0 0
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383079 134974590 1 NSO2C11H13 ABC2D11E13 -53.32 5.61 -8.54 -0.25 0
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383080 134974593 1 O3C29H42 A3B29C42 -112.6 3.71 -9.1 0.0 0
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383081 134974596 1 NO7C28H39 AB7C28D39 -256.41 4.5 -8.41 -0.54 0
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383082 134974597 1 SiO3C20H34 AB3C20D34 -170.54 3.82 -8.67 0.29 0
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383083 134974600 1 N2O5C23H24 A2B5C23D24 -114.65 1.46 -8.47 0.05 0
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383084 134974603 1 O5C18H32 A5B18C32 -239.87 1.75 -9.68 -0.07 0
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383085 134974604 1 N5O12C39H47 A5B12C39D47 -465.17 6.54 -8.78 -0.33 0
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383087 134974607 1 ClNSSiO3C41H59 ABCDE3F41G59 -149.97 2.61 0.0 0.0 0
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383088 134974610 1 INO2H22C24 ABC2D22E24 15.47 1.3 -8.11 -0.78 0
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383089 134974611 1 O2N4H22C25 A2B4C22D25 29.17 3.23 -8.42 -0.11 0
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383090 134974612 1 O2H6C7 A2B6C7 53.86 1.61 -10.35 -0.23 0
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383091 134974625 1 SO2N3H21C23 AB2C3D21E23 2.66 12.88 -8.04 -1.12 0
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383092 134974626 1 O7C11H20 A7B11C20 -322.75 2.6 -9.95 0.54 0
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383093 134974627 1 O7C14H24 A7B14C24 -332.16 2.72 -9.9 0.54 0
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383094 134974629 1 IO3C13H17 AB3C13D17 -88.98 2.85 -9.39 -0.76 0
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383095 134974630 1 NO9C38H43 AB9C38D43 -260.4 5.51 -8.37 -0.53 -1
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383096 134974631 1 OYN2C7H7 ABC2D7E7 62.42 2.02 -5.68 -0.82 0
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383097 134974633 1 N2O2C19H20 A2B2C19D20 -8.62 12.31 -8.14 -1.41 0
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383098 134974636 1 N4O5C17H34 A4B5C17D34 -284.97 5.07 -9.99 0.16 0
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383100 134974640 1 SN2O2C10H13 AB2C2D10E13 -58.87 3.52 0.0 0.0 0
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383101 134974642 1 SiO4C30H46 AB4C30D46 -214.0 1.71 -8.99 0.09 0
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383102 134974643 1 NO3C26H37 AB3C26D37 -95.7 2.7 -9.15 -0.04 0
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383103 134974645 2 O2C8H13 A2B8C13 -175.97 4.54 -9.71 -0.44 1
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383104 134974646 1 NOS2H20C22 ABC2D20E22 79.44 3.21 0.0 0.0 0
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383106 134974649 1 N3O4C11H19 A3B4C11D19 -145.81 5.95 -10.14 -0.28 0
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383107 134974653 1 O5C13H14 A5B13C14 -189.67 3.14 -9.87 -0.11 0
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383108 134974654 1 NO4C18H29 AB4C18D29 -148.77 3.27 -9.74 0.62 0
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383109 134974655 1 NSO3C15H21 ABC3D15E21 -116.83 7.77 -9.43 -0.57 0
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383110 134974656 1 ON2H14C20 AB2C14D20 123.61 4.52 -8.01 -1.48 0
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383111 134974658 1 OSN2C20H20 ABC2D20E20 34.11 3.79 -8.77 -1.45 0
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383112 134974660 1 OSN2H18C23 ABC2D18E23 77.44 3.71 -8.84 -1.36 0
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383113 134974661 1 OSN2H18C23 ABC2D18E23 76.4 3.41 -8.87 -1.29 0
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383114 134974663 1 SN2O2C23H24 AB2C2D23E24 -9.38 3.57 -8.63 -1.28 0
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383115 134974664 4 OC5H9 AB5C9 -213.91 4.89 -9.3 0.94 0
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383116 134974665 2 O2C8H15 A2B8C15 -222.47 5.0 -9.73 1.02 0
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383117 134974666 1 O5C19H30 A5B19C30 -227.19 6.43 -9.67 -0.4 0
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383118 134974668 1 NSO2C19H21 ABC2D19E21 -11.52 4.62 -7.42 -0.52 0
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383119 134974669 2 N2O2C13H15 A2B2C13D15 -106.43 6.69 -8.86 -0.41 0
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383120 134974670 1 N5O5C27H31 A5B5C27D31 -139.93 6.01 -8.74 -0.31 0
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383121 134974674 1 O3C12H20 A3B12C20 -160.76 1.51 -9.12 0.65 0
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383122 134974677 1 O3C24H34 A3B24C34 -117.25 2.47 -9.22 0.42 0
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383123 134974679 1 SN2O5C19H22 AB2C5D19E22 -157.07 5.42 -9.92 -1.22 2
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383124 134974680 1 NO2C4H7 AB2C4D7 -48.39 2.77 -7.1 0.47 0
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383125 134974681 1 O2F3N4C9H11 A2B3C4D9E11 -182.52 5.96 -8.86 -1.08 0
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383126 134974682 1 NO2C13H15 AB2C13D15 -58.0 1.43 -9.43 -0.18 0
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383127 134974683 1 Br2O3C11H14 A2B3C11D14 -115.38 6.14 -9.02 -0.45 0
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383130 134974689 1 N3O4H17C20 A3B4C17D20 -94.02 5.12 -8.7 -1.08 0
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383131 134974690 6 OC6H6 AB6C6 -135.17 2.6 -8.37 -1.19 0
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383132 134974692 1 NSiO3C12H21 ABC3D12E21 -122.18 4.03 -9.29 -0.6 1
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383133 134974694 1 N6O14C35H51 A6B14C35D51 -590.1 10.96 0.0 0.0 0
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383135 134974696 1 NH12C15 AB12C15 76.62 1.82 0.0 0.0 1
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383136 134974697 1 N2H19C23 A2B19C23 110.56 1.09 0.0 0.0 0
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383137 134974698 1 N2H18C23 A2B18C23 118.69 3.06 -8.57 -0.31 0
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383138 134974699 1 NOSC19H23 ABCD19E23 -21.91 2.43 -8.61 -0.2 0
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383139 134974700 1 NOSC19H23 ABCD19E23 -25.58 2.57 -8.75 -0.24 0
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383140 134974701 1 NO4C24H27 AB4C24D27 -117.31 3.08 -9.03 -0.23 1
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383141 134974702 1 PO4C9H18 AB4C9D18 -219.99 4.34 0.0 0.0 1
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383142 134974703 1 O2N4H25C26 A2B4C25D26 19.94 2.91 0.0 0.0 1
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383143 134974704 1 O2N4H23C25 A2B4C23D25 23.49 2.4 0.0 0.0 0
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383144 134974705 1 O2N4H22C25 A2B4C22D25 6.66 4.66 -8.93 -0.53 0
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383145 134974706 1 O2N4H22C25 A2B4C22D25 78.58 14.95 -7.52 -2.52 0
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383146 134974709 2 ON2C11H12 AB2C11D12 -33.16 3.3 -8.89 -0.37 1
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383147 134974711 1 O2N4C22H25 A2B4C22D25 -20.18 2.25 0.0 0.0 0
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383148 134974712 2 ON2H12C13 AB2C12D13 3.36 5.23 -8.91 -0.35 1
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383149 134974713 1 O2N3C6H12 A2B3C6D12 -44.42 8.04 0.0 0.0 0
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383150 134974714 1 O2N3C6H11 A2B3C6D11 -62.94 2.98 -8.61 -0.34 1
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383151 134974715 1 Br2O2N5C11H14 A2B2C5D11E14 -13.42 8.34 0.0 0.0 0
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383152 134974716 1 Br2O2N5C11H13 A2B2C5D11E13 -32.79 2.91 -8.52 -0.72 0
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383153 134974717 1 PN3H36C48 AB3C36D48 261.63 5.66 -7.44 -0.31 0
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383154 134974718 1 O4C19H26 A4B19C26 -126.5 3.02 -8.5 0.54 0
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383155 134974719 1 SN2O2C16H16 AB2C2D16E16 9.96 6.8 -9.54 -0.4 0
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383156 134974720 2 NOH10C12 ABC10D12 43.09 2.93 -8.72 -0.28 0
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383157 134974723 1 NO3C20H31 AB3C20D31 -137.37 3.45 -9.19 0.33 0
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383158 134974724 1 NO4C21H37 AB4C21D37 -234.18 3.56 -9.46 0.79 0
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383159 134974726 1 N2O3C17H30 A2B3C17D30 -135.31 2.85 -8.94 0.94 0
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383160 134974727 1 N2O2C17H32 A2B2C17D32 -138.82 3.06 -8.96 1.16 0
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383161 134974728 1 I2N2O2C17H28 A2B2C2D17E28 -58.24 2.75 -9.39 -1.29 0