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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298038 117647331 1 FO4N9C26H36 AB4C9D26E36 -147.44 6.33 -8.68 -1.0 0
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298039 117647333 1 FO4N7C25H32 AB4C7D25E32 -166.41 5.75 -8.37 -0.53 0
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298040 117647334 1 F2O4N7C24H29 A2B4C7D24E29 -202.62 2.28 -8.36 -0.58 0
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298041 117647337 1 FO4N8C26H35 AB4C8D26E35 -160.0 3.22 -7.9 -0.39 0
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298042 117647353 1 FN5O5C25H34 AB5C5D25E34 -223.27 5.27 -8.54 -0.53 0
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298043 117647360 1 F2O4N7C27H39 A2B4C7D27E39 -253.59 3.15 -8.87 -0.83 0
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298044 117647369 1 F2O3N7C22H31 A2B3C7D22E31 -198.11 4.5 -8.63 -0.49 0
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298045 117647370 1 F2O3N7C23H31 A2B3C7D23E31 -203.94 5.9 -8.17 -0.58 0
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298046 117647375 1 F3O3N7C27H34 A3B3C7D27E34 -217.75 7.42 -8.56 -0.58 0
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298047 117647380 1 FSN5O5C25H36 ABC5D5E25F36 -245.45 6.09 -8.59 -0.73 0
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298048 117647391 1 FO3N8C28H37 AB3C8D28E37 -103.52 8.08 -8.61 -0.72 0
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298049 117647397 1 FO3N8C25H31 AB3C8D25E31 -97.48 7.06 -8.69 -0.7 0
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298050 117647398 1 FO3N8C25H31 AB3C8D25E31 -107.69 6.23 -8.72 -0.77 0
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298051 117647399 1 ClFO3N5C23H29 ABC3D5E23F29 -175.21 7.39 -8.71 -0.6 0
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298052 117647401 1 F2O3N5C23H29 A2B3C5D23E29 -216.13 5.34 -8.52 -0.59 0
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298053 117647403 1 F4O4N5C24H29 A4B4C5D24E29 -373.95 7.74 -8.68 -0.76 0
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298054 117647407 1 F3O3N5C23H28 A3B3C5D23E28 -256.13 4.02 -8.8 -0.74 0
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298055 117647409 1 FO4N5C26H36 AB4C5D26E36 -219.99 7.05 -8.38 -0.32 0
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298056 117647410 1 FO3N5C25H34 AB3C5D25E34 -175.86 6.77 -8.5 -0.44 0
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298057 117647413 1 FO3N5C23H32 AB3C5D23E32 -175.0 3.47 -8.66 -0.5 0
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298058 117647415 1 FO3N8C24H31 AB3C8D24E31 -101.0 2.97 -9.03 -1.02 0
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298059 117647416 1 FO3N5C24H34 AB3C5D24E34 -185.51 4.28 -8.42 -0.47 0
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298060 117647417 1 FO3N8C25H31 AB3C8D25E31 -81.38 8.31 -8.64 -0.81 0
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298061 117647422 1 FO4N5C25H32 AB4C5D25E32 -189.06 1.45 -8.55 -0.7 0
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298062 117647424 1 FO3N6C23H31 AB3C6D23E31 -140.16 3.34 -8.59 -0.64 0
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298063 117647425 1 F2O3N6C23H30 A2B3C6D23E30 -187.05 5.51 -8.63 -0.8 0
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298064 117647426 2 FO2N3C12H16 AB2C3D12E16 -219.43 5.92 -8.62 -0.68 0
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298065 117647434 1 ClFO3N8C24H30 ABC3D8E24F30 -116.76 7.25 -8.87 -1.1 0
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298066 117647435 1 FO3N8C27H35 AB3C8D27E35 -102.34 8.88 -8.93 -0.87 0
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298067 117647436 1 FO4N8C25H31 AB4C8D25E31 -147.71 3.43 -8.66 -0.86 0
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298068 117647437 1 FO3N8C26H35 AB3C8D26E35 -117.3 5.99 -8.78 -0.91 0
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298069 117647438 1 FO3N8C27H37 AB3C8D27E37 -124.7 7.76 -8.84 -0.9 0
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298070 117647439 1 FO4N9C32H38 AB4C9D32E38 -111.07 6.55 -8.55 -0.75 0
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298071 117647441 1 FO4N9C32H38 AB4C9D32E38 -56.52 6.43 -8.75 -0.42 0
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298072 117647442 1 FO3N9C26H34 AB3C9D26E34 -103.77 7.06 -8.65 -0.89 0
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298073 117647446 1 FO4N7C22H30 AB4C7D22E30 -162.86 7.18 -8.5 -0.66 0
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298074 117647449 1 FON8C21H31 ABC8D21E31 -22.31 8.3 -8.51 -0.17 0
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298075 117647450 1 OF2N9C23H23 AB2C9D23E23 11.16 7.08 -8.86 -1.14 0
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298076 117647453 1 FON8C26H31 ABC8D26E31 24.34 7.82 -7.94 -0.63 0
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298077 117647454 1 FSO3N5C21H30 ABC3D5E21F30 -129.52 5.72 -8.51 -0.48 0
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298078 117647455 1 FON8C21H23 ABC8D21E23 35.02 4.26 -8.76 -1.04 0
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298079 117647458 1 FON8C24H31 ABC8D24E31 -16.13 7.76 -8.06 -0.36 0
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298080 117647459 1 FON10C23H29 ABC10D23E29 43.54 7.59 -8.14 -0.5 0
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298081 117647462 1 FO2N9C20H24 AB2C9D20E24 -18.2 6.74 -8.63 -0.85 0
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298082 117647469 1 FO3N7C24H32 AB3C7D24E32 -86.94 5.55 -8.05 -0.38 0
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298083 117647471 1 FO2N9C20H24 AB2C9D20E24 -13.47 4.24 -8.92 -1.12 0
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298084 117647472 1 FON7C17H22 ABC7D17E22 -27.36 3.76 -8.88 -0.85 0
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298085 117647473 1 FON10C18H21 ABC10D18E21 55.7 3.46 -9.02 -1.49 0
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298086 117647479 1 FO2N8C20H27 AB2C8D20E27 -67.41 3.49 -8.62 -0.74 0
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298087 117647480 1 OF2N9C20H23 AB2C9D20E23 -16.96 2.71 -9.0 -1.07 0
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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