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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298088 117647481 1 F2O3N8C22H28 A2B3C8D22E28 -155.36 3.21 -9.09 -0.94 0
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298089 117647482 1 O21H38C46 A21B38C46 -768.34 1.81 -8.87 -1.19 0
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298090 117647484 4 O4C5H9 A4B5C9 -723.37 1.76 -10.2 0.26 0
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298091 117647486 2 NH20C27 AB20C27 231.44 0.71 -8.16 -0.45 0
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298092 117647490 1 SO4N5C16H21 AB4C5D16E21 -109.68 5.31 -9.84 -0.7 1
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298093 117647493 1 S2N6O10C41H57 A2B6C10D41E57 -382.92 10.08 0.0 0.0 0
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298094 117647500 1 O2C11H16 A2B11C16 -87.81 2.78 -9.24 0.46 0
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298095 117647504 1 O2N3C17H21 A2B3C17D21 -32.71 1.96 -9.66 -1.02 0
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298096 117647505 1 N2O7C17H24 A2B7C17D24 -296.75 7.99 -9.8 -0.44 0
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298102 117647532 1 FPN3O9C21H27 ABC3D9E21F27 -477.27 4.63 -9.76 -0.67 0
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298103 117647533 1 NH39C52 AB39C52 187.79 1.64 -8.02 -0.62 0
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298105 117647536 1 NPSCl2O4C19H22 ABCD2E4F19G22 -229.75 2.8 -9.27 -0.78 0
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298106 117647537 1 PN3O7C17H20 AB3C7D17E20 -246.7 2.54 -9.49 -1.7 0
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298107 117647538 1 N2O6C13H16 A2B6C13D16 -210.86 6.18 -10.15 -0.81 0
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298108 117647542 2 OH15C21 AB15C21 153.63 2.36 -8.61 -0.7 0
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298109 117647550 1 N3O4C25H45 A3B4C25D45 -235.64 2.49 -9.08 -0.02 0
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298110 117647551 1 N4O5C44H72 A4B5C44D72 -290.23 4.12 -8.83 0.06 0
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298111 117647552 1 N3O4C27H49 A3B4C27D49 -246.01 5.32 -8.98 -0.06 0
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298112 117647559 1 N5O5C38H61 A5B5C38D61 -266.43 6.06 -8.94 0.1 0
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298113 117647562 1 N3O4C25H45 A3B4C25D45 -233.39 3.57 -9.08 0.13 0
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298114 117647564 1 N3O4C28H51 A3B4C28D51 -247.07 0.91 -8.83 0.21 0
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298115 117647565 1 N3O4C26H47 A3B4C26D47 -237.19 3.07 -9.0 -0.14 0
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298116 117647580 1 SO6C30H36 AB6C30D36 -242.84 1.16 -8.77 0.1 0
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298117 117647584 1 SO6C29H38 AB6C29D38 -270.13 1.67 -8.85 0.15 0
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298118 117647587 1 ClSO6C24H27 ABC6D24E27 -251.89 2.24 -8.9 -0.26 0
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298119 117647595 3 O3C13H16 A3B13C16 -279.6 5.26 -9.07 -1.07 0
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298120 117647606 1 F2N3O3C21H29 A2B3C3D21E29 -242.91 3.56 -9.26 -0.52 0
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298121 117647629 1 BrN2C16H17 AB2C16D17 40.22 2.35 -8.46 -0.46 0
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298122 117647635 1 N4O5C44H52 A4B5C44D52 -118.24 5.12 -8.62 -0.57 0
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298123 117647637 1 ON7C17H17 AB7C17D17 90.6 4.31 -8.54 -0.9 0
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298124 117647638 1 N11C35H43 A11B35C43 183.14 4.36 -8.53 -0.13 0
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298125 117647643 1 OF2N3C32H33 AB2C3D32E33 -70.08 2.25 -8.75 -0.62 0
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298126 117647653 1 ON6C24H26 AB6C24D26 95.7 4.42 -8.46 -0.52 0
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298127 117647666 1 O4N8C39H46 A4B8C39D46 -88.58 10.52 -8.49 -0.77 0
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298128 117647669 1 SO4N7C37H41 AB4C7D37E41 -83.97 2.46 -8.72 -1.03 0
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298129 117647670 1 SN5C35H43 AB5C35D43 90.88 2.55 -8.35 -0.64 0
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298130 117647671 1 SN4C28H28 AB4C28D28 94.52 7.35 -7.94 -0.44 0
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298131 117647673 1 SN4O5C40H52 AB4C5D40E52 -128.51 3.53 -8.2 -0.7 0
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298132 117647675 1 SO4N7C39H49 AB4C7D39E49 -62.98 8.71 -8.48 -0.74 0
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298133 117647679 1 SO6N17C49H71 AB6C17D49E71 -58.14 7.03 -8.13 -0.8 0
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298134 117647683 1 SF2N5C35H41 AB2C5D35E41 -2.64 2.84 -8.38 -0.63 0
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298135 117647684 1 SN5C39H51 AB5C39D51 72.01 4.75 -8.32 -0.6 0
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298136 117647686 1 N11C35H43 A11B35C43 208.8 2.6 -8.67 -0.68 0
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298137 117647689 1 N11C35H43 A11B35C43 218.03 5.08 -8.58 -0.68 0
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298138 117647692 1 F2N11C35H41 A2B11C35D41 121.65 5.04 -8.82 -0.93 0
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298139 117647694 1 IN2C12H19 AB2C12D19 25.7 1.79 -9.13 -0.8 0
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298140 117647701 1 FO2N3C21H26 AB2C3D21E26 -118.31 3.63 -8.68 -0.46 0
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298141 117647703 2 NO2C17H22 AB2C17D22 -163.76 3.81 -8.31 -0.38 0
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298142 117647712 1 N3C31H35 A3B31C35 107.64 1.7 -8.85 -0.17 0
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298143 117647718 1 N4O5C37H46 A4B5C37D46 -116.55 5.34 -8.89 -0.94 0