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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166492 74699629 1 SO2N4C25H40 AB2C4D25E40 -90.82 6.48 -8.18 0.2 0
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166493 74700089 1 SO2N4C25H40 AB2C4D25E40 -90.19 7.03 -8.43 -0.25 1
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166494 74700205 1 ON7C29H44 AB7C29D44 21.97 6.89 0.0 0.0 1
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166495 74700278 1 SO3N4C27H37 AB3C4D27E37 -42.71 2.89 0.0 0.0 0
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166496 74700279 1 SO3N4C27H36 AB3C4D27E36 -37.55 4.7 -8.35 -1.12 1
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166497 74700280 1 OSN4C27H37 ABC4D27E37 5.45 6.32 0.0 0.0 0
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166498 74700545 1 N4O4C21H26 A4B4C21D26 -124.46 2.56 -9.1 -0.14 -1
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166499 74701034 1 NO5H18C23 AB5C18D23 -61.87 6.14 0.0 0.0 -1
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166500 74701035 1 ClSN2O2H10C11 ABC2D2E10F11 -28.19 0.79 0.0 0.0 1
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166501 74701365 1 O3N7C29H40 A3B7C29D40 -13.14 10.58 0.0 0.0 0
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166502 74701366 1 O3N7C29H39 A3B7C29D39 -20.25 8.52 -9.46 -0.49 1
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166503 74701367 1 FO2N7C28H31 AB2C7D28E31 34.2 8.48 0.0 0.0 0
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166504 74701368 1 FO2N7C28H30 AB2C7D28E30 39.34 7.52 -8.51 -1.72 1
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166505 74701369 1 O3N7C29H34 A3B7C29D34 41.42 10.5 0.0 0.0 1
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166506 74701876 1 SO3N4C24H33 AB3C4D24E33 -53.99 7.08 0.0 0.0 0
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166507 74701877 1 SO3N4C24H32 AB3C4D24E32 -29.37 11.64 -8.43 -1.44 0
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166508 74701990 1 FSO3N4C25H31 ABC3D4E25F31 -69.92 5.58 -8.49 -1.12 0
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166509 74702188 1 O2N7C29H43 A2B7C29D43 -22.66 7.22 -8.68 -0.05 1
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166510 74702189 1 ON7C28H42 AB7C28D42 31.67 10.23 0.0 0.0 0
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166511 74702258 1 ON6C27H40 AB6C27D40 0.88 4.33 -9.0 -0.01 0
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166512 74703217 1 O3N6C26H32 A3B6C26D32 87.64 15.94 -7.54 -1.76 -1
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166513 74703611 1 ClO3N4H8C14 AB3C4D8E14 76.31 6.2 0.0 0.0 -1
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166514 74703621 1 ClO4H10C16 AB4C10D16 -71.64 1.55 0.0 0.0 1
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166515 74703841 1 O4N6C23H39 A4B6C23D39 -123.81 7.42 0.0 0.0 0
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166516 74703842 1 O4N6C23H38 A4B6C23D38 -139.06 5.72 -9.22 -0.08 1
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166517 74703843 1 O4N6C24H41 A4B6C24D41 -135.64 10.75 0.0 0.0 0
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166518 74703844 2 O2N3C12H20 A2B3C12D20 -146.74 5.43 -9.23 -0.04 0
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166519 74703862 1 N2O2H20C23 A2B2C20D23 2.94 7.88 -9.64 -1.52 -1
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166520 74703863 1 ClNO5H19C25 ABC5D19E25 -61.12 7.56 0.0 0.0 -1
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166521 74703864 1 ClNO4H21C26 ABC4D21E26 -46.31 7.71 0.0 0.0 -1
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166522 74703865 1 NO6H26C28 AB6C26D28 -121.53 11.31 0.0 0.0 -1
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166523 74703866 1 ClNO4H21C26 ABC4D21E26 -45.79 8.22 0.0 0.0 -1
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166524 74703867 1 FNO4H21C26 ABC4D21E26 -83.12 8.37 0.0 0.0 -1
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166525 74703868 1 N2O6H21C26 A2B6C21D26 -35.29 11.49 0.0 0.0 1
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166526 74703869 1 O3N5C24H28 A3B5C24D28 -9.15 3.5 0.0 0.0 1
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166527 74703870 1 SN4O4C27H35 AB4C4D27E35 -89.68 3.83 0.0 0.0 0
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166528 74703871 1 SN4O4C27H34 AB4C4D27E34 -66.2 13.86 -8.49 -1.46 -1
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166529 74704135 1 SN3O7H20C23 AB3C7D20E23 -136.95 2.93 0.0 0.0 1
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166530 74704336 1 ON4C31H33 AB4C31D33 87.56 6.28 0.0 0.0 -1
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166531 74704337 1 NO6C19H22 AB6C19D22 -231.12 9.46 0.0 0.0 0
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166532 74704358 2 ON2C13H15 AB2C13D15 -26.71 4.09 -8.12 -0.75 0
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166533 74704359 1 N3O4H25C27 A3B4C25D27 -70.58 1.59 -8.93 -0.91 0
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166534 74704618 1 O3N6C25H36 A3B6C25D36 -54.38 9.43 -9.12 -0.32 0
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166535 74704646 1 O2N6C27H38 A2B6C27D38 -26.5 10.25 -9.1 0.17 1
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166536 74704647 1 O3N6C29H43 A3B6C29D43 -58.94 5.48 0.0 0.0 1
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166537 74704923 1 O2N6C25H37 A2B6C25D37 -11.64 5.54 0.0 0.0 0
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166538 74705388 1 O4N6C29H44 A4B6C29D44 -111.92 9.87 -8.14 -0.28 1
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166539 74705389 1 O2N6C27H41 A2B6C27D41 -13.16 11.6 0.0 0.0 1
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166540 74705714 1 FN2O2C16H22 AB2C2D16E22 -41.92 3.91 0.0 0.0 -1
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166541 74705754 1 FNO4H19C24 ABC4D19E24 -86.76 4.55 0.0 0.0 1