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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223066 85334398 1 O11N13C54H95 A11B13C54D95 -583.69 8.61 -8.92 0.09 0
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223067 85334448 1 N11O19C50H73 A11B19C50D73 -857.5 10.2 -9.18 -0.33 0
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223068 85334458 1 N12O16C53H78 A12B16C53D78 -734.54 4.94 -8.41 -0.03 0
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223069 85334460 1 N11O17C52H89 A11B17C52D89 -873.26 7.16 -10.0 -0.05 0
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223071 85334470 1 O15N19C46H85 A15B19C46D85 -710.03 5.84 -9.3 -0.12 0
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223072 85334472 1 SN9O16C54H81 AB9C16D54E81 -757.24 11.9 -9.4 -0.59 0
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223073 85334474 1 O12N16C53H92 A12B16C53D92 -603.19 9.37 -8.47 0.04 0
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223074 85334476 1 SN13O16C50H75 AB13C16D50E75 -702.31 12.98 -8.99 -0.52 0
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223075 85334479 1 N15O16C50H81 A15B16C50D81 -752.01 17.73 -9.5 -0.13 0
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223076 85334480 1 O3N9C73H97 A3B9C73D97 -30.97 5.27 -8.19 0.22 0
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223077 85334483 1 SN12O19C48H70 AB12C19D48E70 -870.48 17.09 -8.54 -0.5 0
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223078 85334485 1 N12O18C51H82 A12B18C51D82 -858.42 4.28 -9.1 -0.33 0
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223079 85334486 1 N7O20C55H73 A7B20C55D73 -886.51 11.21 -8.75 -1.67 0
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223080 85334487 1 FNO19C61H82 ABC19D61E82 -876.63 8.16 -8.72 -0.39 0
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223081 85334488 1 N13O15C54H81 A13B15C54D81 -691.92 7.91 -8.96 -0.16 0
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223082 85334489 1 SN15O15C49H81 AB15C15D49E81 -689.0 13.21 -8.95 -0.06 0
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223083 85334490 1 BrN11O11C56H70 AB11C11D56E70 -425.14 8.84 -8.62 -0.2 0
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223084 85334491 1 N6O19C57H80 A6B19C57D80 -829.92 9.57 -8.83 -1.82 0
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223086 85334493 1 SN12O14C54H80 AB12C14D54E80 -644.28 13.18 -8.7 -0.05 0
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223087 85334494 1 N13O14C55H87 A13B14C55D87 -670.61 17.42 -8.9 -0.35 0
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223088 85334495 1 N13O15C53H95 A13B15C53D95 -786.98 3.01 -9.04 -0.25 0
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223089 85334496 1 N13O14C56H77 A13B14C56D77 -578.95 17.59 -8.69 -0.47 0
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223092 85334500 1 N12O17C52H92 A12B17C52D92 -838.59 11.19 -8.34 0.02 0
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223093 85334501 1 O15N16C50H92 A15B16C50D92 -759.47 2.11 -9.49 -0.05 0
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223094 85334502 1 S4N12O15C46H68 A4B12C15D46E68 -646.42 4.01 -8.62 -0.71 0
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223095 85334503 1 N11O19C51H87 A11B19C51D87 -919.02 2.92 -7.43 -0.31 0
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223096 85334504 1 S2N13O13C51H91 A2B13C13D51E91 -676.36 10.95 -8.9 -0.11 0
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223097 85334506 1 SO10N12C60H80 AB10C12D60E80 -383.44 9.78 -8.82 -0.04 0
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223098 85334507 1 SO11N15C54H95 AB11C15D54E95 -492.87 4.87 -7.93 -0.22 0
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223099 85334508 2 O8N9C24H39 A8B9C24D39 -739.15 11.98 -9.04 -0.52 0
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223100 85334509 2 SN6O8C25H37 AB6C8D25E37 -704.21 10.57 -9.04 -0.73 0
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223101 85334511 1 BrN2S4O19C47H61 AB2C4D19E47F61 -558.63 4.96 -8.26 -1.28 0
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223103 85334513 1 O12N17C54H87 A12B17C54D87 -549.88 9.39 -8.72 -0.27 0
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223104 85334515 1 N12O19C51H84 A12B19C51D84 -961.12 4.72 -10.02 -0.59 0
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223105 85334516 1 N7O18C59H75 A7B18C59D75 -754.54 18.39 -8.43 -1.44 0
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223106 85334517 1 N13O17C52H91 A13B17C52D91 -854.23 16.86 -9.12 -0.24 0
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223107 85334519 1 SO14N15C51H91 AB14C15D51E91 -735.26 8.84 -9.22 -0.31 0
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223108 85334520 1 N12O16C55H86 A12B16C55D86 -776.37 9.36 -8.75 -0.31 0
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223109 85334521 2 N8O9C24H42 A8B9C24D42 -876.42 10.21 -9.28 -0.32 0
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223110 85334522 1 N11O21C51H71 A11B21C51D71 -953.65 14.17 -9.28 -0.4 0
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223111 85334523 1 N13O17C53H83 A13B17C53D83 -816.11 9.1 -8.41 -0.1 0
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223113 85334525 1 N12O17C55H76 A12B17C55D76 -754.07 11.52 -8.73 -0.34 0
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223114 85334526 2 SN7O7C25H46 AB7C7D25E46 -732.33 10.35 -9.19 -0.5 0
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223115 85334527 1 O11N21C52H85 A11B21C52D85 -443.33 7.03 -8.62 -0.13 0
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223116 85334528 1 ClS2O10N11C58H70 AB2C10D11E58F70 -329.51 10.32 -8.86 -1.29 0
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223117 85334530 1 N10O14C61H84 A10B14C61D84 -632.99 9.67 -8.82 -0.38 0
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223118 85334531 1 O10N18C57H84 A10B18C57D84 -337.7 8.26 -7.79 -0.8 0
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223120 85334534 1 N2S6O18C43H49 A2B6C18D43E49 -642.62 4.15 0.0 0.0 0
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223121 85334535 1 S2N14O19C46H66 A2B14C19D46E66 -856.84 13.99 -9.07 -0.74 0
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223122 85334536 1 N7O18C60H77 A7B18C60D77 -775.84 10.36 -8.84 -1.82 0
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223123 85334537 1 O12N19C53H89 A12B19C53D89 -520.3 6.78 -8.35 0.03 1
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223124 85334539 1 P3S4N6O20C42H58 A3B4C6D20E42F58 -1021.89 12.36 0.0 0.0 0
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223125 85334542 2 N8O9C25H38 A8B9C25D38 -834.71 6.02 -8.47 -0.04 0
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223126 85334543 1 O13N15C57H87 A13B15C57D87 -574.64 15.68 -9.04 -0.63 0
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223127 85334546 1 N13O20C51H79 A13B20C51D79 -957.69 7.86 -9.57 -0.01 0
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223128 85334548 1 O10N15C61H91 A10B15C61D91 -442.11 10.05 -8.75 -0.34 0
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223129 85334552 1 O12N19C53H103 A12B19C53D103 -624.78 5.66 -9.43 -0.1 0
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223130 85334553 1 FS2O11N12C58H75 AB2C11D12E58F75 -432.48 16.3 -8.7 -0.98 0
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223131 85334557 1 SO15N16C51H92 AB15C16D51E92 -741.89 13.59 -8.98 -0.12 0
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223132 85334558 1 SO16N18C48H86 AB16C18D48E86 -762.45 10.06 -8.99 -0.36 0
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223134 85334563 1 O13N24C48H86 A13B24C48D86 -570.47 6.59 -9.12 -0.36 0
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223135 85334567 1 N16O18C51H86 A16B18C51D86 -861.98 11.63 -9.18 -0.07 0
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223136 85334570 1 N12O14C61H90 A12B14C61D90 -651.74 9.26 -8.78 -0.36 0
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223137 85334571 1 O13N14C60H90 A13B14C60D90 -610.27 5.27 -9.43 0.06 0
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223138 85334575 1 N15O16C55H93 A15B16C55D93 -791.11 6.18 -8.81 -0.05 0
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223139 85334577 1 N8O19C60H84 A8B19C60D84 -864.76 4.38 -8.84 -1.83 0
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223140 85334581 1 SN12O16C56H94 AB12C16D56E94 -803.84 2.87 -9.42 -0.16 0
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223141 85334582 1 SN12O14C59H90 AB12C14D59E90 -660.41 11.32 -8.6 0.27 0
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223142 85334583 1 O16N18C53H82 A16B18C53D82 -694.8 7.31 -8.55 -0.28 0
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223143 85334586 1 ClFN2O17C64H104 ABC2D17E64F104 -912.4 9.83 -8.68 -0.7 0
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223144 85334588 1 N13O17C56H101 A13B17C56D101 -864.82 17.85 -8.19 -1.77 0
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223146 85334591 1 SN14O18C53H78 AB14C18D53E78 -830.64 3.82 -8.76 -0.1 0
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223147 85334592 1 S2N14O16C53H78 A2B14C16D53E78 -722.43 5.32 -8.49 -0.18 0
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223148 85334593 1 SO15N16C54H86 AB15C16D54E86 -680.09 9.1 -9.37 -0.24 0
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223149 85334594 1 S2N13O14C56H89 A2B13C14D56E89 -676.11 13.25 -9.08 -0.29 0