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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223150 85334600 1 S2N14O21C47H78 A2B14C21D47E78 -938.96 12.26 -8.85 -0.33 0
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223151 85334601 1 SN12O20C53H82 AB12C20D53E82 -979.49 3.52 -9.33 -0.36 0
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223152 85334603 1 N14O17C58H78 A14B17C58D78 -710.64 9.6 -9.02 -0.9 0
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223153 85334604 1 S2O16N18C49H82 A2B16C18D49E82 -754.03 9.53 -8.9 -0.34 0
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223154 85334606 1 SN14O17C54H96 AB14C17D54E96 -753.16 7.58 -7.84 -1.94 0
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223155 85334607 1 SN16O16C53H96 AB16C16D53E96 -845.71 13.98 -8.53 -0.1 0
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223156 85334608 1 O13N17C59H91 A13B17C59D91 -556.62 5.01 -8.52 -0.17 0
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223157 85334610 1 N13O17C58H97 A13B17C58D97 -678.74 4.04 -7.65 -1.37 0
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223158 85334611 1 N9O19C61H87 A9B19C61D87 -829.77 9.71 -8.88 -1.88 0
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223160 85334614 2 SO7N8C27H46 AB7C8D27E46 -698.85 5.55 -9.12 -0.15 0
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223161 85334615 1 O13N17C60H87 A13B17C60D87 -556.12 4.84 -9.34 -0.15 0
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223162 85334616 1 S3O11N17C54H95 A3B11C17D54E95 -519.81 15.4 -8.59 -0.1 0
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223163 85334617 2 O7N8C30H43 A7B8C30D43 -579.48 6.31 -9.36 -0.31 0
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223164 85334618 1 N15O23C50H79 A15B23C50D79 -1069.72 12.7 -9.38 -0.38 0
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223165 85334626 1 N15O15C59H103 A15B15C59D103 -779.19 4.88 -9.44 0.04 0
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223166 85334627 2 N6O8C31H47 A6B8C31D47 -779.05 13.5 -9.01 -0.04 0
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223167 85334628 1 SN11O18C59H81 AB11C18D59E81 -752.52 2.49 -8.57 -0.17 0
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223168 85334629 1 SO13N17C57H101 AB13C17D57E101 -656.69 21.93 -8.85 0.03 0
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223169 85334632 5 N3O3C12H19 A3B3C12D19 -712.4 3.52 -8.93 -0.32 0
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223170 85334633 1 SN13O21C53H81 AB13C21D53E81 -986.39 5.48 -8.81 -0.29 0
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223171 85334634 1 O16N17C56H101 A16B17C56D101 -838.71 5.58 -9.13 -0.16 0
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223172 85334635 4 N3O3C17H23 A3B3C17D23 -522.14 7.44 -8.25 -0.24 0
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223174 85334637 1 SN11O12C65H111 AB11C12D65E111 -466.53 20.02 -6.98 -1.38 0
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223175 85334638 1 N17O20C52H91 A17B20C52D91 -985.4 14.63 -9.57 -0.4 3
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223177 85334640 1 N8O13C60H76 A8B13C60D76 -423.1 10.98 -7.83 -1.32 0
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223178 85334641 1 SO14N15C59H99 AB14C15D59E99 -703.07 7.65 -9.24 -0.19 0
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223179 85334643 1 S4N8O27C46H52 A4B8C27D46E52 -1027.35 2.49 -9.63 -1.44 0
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223180 85334644 1 Li2P2S2N14O27C38H56 A2B2C2D14E27F38G56 -1378.98 6.88 -8.97 -0.96 0
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223181 85334647 1 O11N17C63H109 A11B17C63D109 -530.8 6.18 -9.39 -0.24 0
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223182 85334648 1 O16N17C58H91 A16B17C58D91 -666.64 6.98 -8.94 -0.45 0
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223183 85334649 1 S2O11N15C61H99 A2B11C15D61E99 -508.08 14.84 -8.79 -0.32 0
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223185 85334652 2 O8N13C24H44 A8B13C24D44 -714.71 8.79 -9.38 -0.45 0
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223186 85334653 1 LuN12O17C50H68 AB12C17D50E68 -576.17 5.92 0.0 0.0 0
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223188 85334655 1 TcN15O18C51H77 AB15C18D51E77 -556.08 5.62 0.0 0.0 3
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223190 85334659 1 N9O13C60H75 A9B13C60D75 -363.72 5.75 -8.06 -1.74 0
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223191 85334660 1 S2O16N19C51H89 A2B16C19D51E89 -754.98 6.05 -9.32 -0.31 0
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223192 85334661 4 N4O4C15H22 A4B4C15D22 -636.25 16.69 -9.15 -0.99 0
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223193 85334662 1 N15O18C58H95 A15B18C58D95 -877.13 6.02 -9.49 -0.12 0
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223195 85334665 1 SN15O17C57H97 AB15C17D57E97 -822.04 8.68 -8.44 -0.31 0
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223197 85334667 1 ClN11O12C67H112 AB11C12D67E112 -454.37 38.2 -6.41 -2.96 0
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223198 85334671 1 F2N11O15C63H111 A2B11C15D63E111 -895.89 6.88 -9.41 -0.9 0
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223200 85334675 1 Cl2O31C55H78 A2B31C55D78 -1382.76 6.96 -9.7 -1.07 0
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223201 85334676 1 SN15O20C54H95 AB15C20D54E95 -1020.17 13.13 -9.33 -0.19 0
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223202 85334677 1 N15O18C59H99 A15B18C59D99 -816.13 11.35 -8.68 -0.95 0
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223203 85334679 1 S3N10O21C55H74 A3B10C21D55E74 -869.09 16.88 -8.46 -1.11 0
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223204 85334680 1 S4N13O19C51H81 A4B13C19D51E81 -893.88 7.88 -8.83 -0.49 0
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223205 85334681 1 BrN3S4O21C54H74 AB3C4D21E54F74 -544.84 13.35 -8.76 -2.13 0
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223206 85334684 1 O16N18C59H94 A16B18C59D94 -708.24 11.43 -8.71 -0.41 0
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223207 85334685 1 S4O15N16C53H82 A4B15C16D53E82 -650.53 4.65 -9.13 -0.36 0
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223208 85334686 1 N17O22C53H85 A17B22C53D85 -1026.29 16.57 -9.42 -0.68 0
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223209 85334687 2 N9O11C26H42 A9B11C26D42 -968.07 13.58 -9.53 -0.56 0
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223210 85334690 1 N18O23C51H84 A18B23C51D84 -1073.67 17.42 -9.53 -0.66 0
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223211 85334691 1 N18O21C53H92 A18B21C53D92 -1014.23 29.34 -9.61 -1.1 0
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223212 85334692 1 N14O19C60H98 A14B19C60D98 -919.39 6.11 -9.54 -0.42 0
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223213 85334693 1 N14O19C60H98 A14B19C60D98 -948.31 15.58 -8.93 -0.26 0
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223214 85334696 1 Cl2O31C56H80 A2B31C56D80 -1393.07 5.74 -9.55 -0.79 0
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223215 85334697 1 N17O23C52H89 A17B23C52D89 -1139.49 7.46 -9.8 -0.14 0
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223216 85334698 1 N15O19C59H97 A15B19C59D97 -894.6 13.39 -9.11 -0.09 0
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223217 85334700 2 SN7O8C30H43 AB7C8D30E43 -657.32 13.14 -8.47 -0.5 0
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223218 85334701 1 N11O14C69H117 A11B14C69D117 -489.89 14.42 -7.86 -0.35 0
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223219 85334702 1 SN16O20C55H88 AB16C20D55E88 -911.62 2.68 -9.42 -0.1 0
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223220 85334703 1 N14O21C58H96 A14B21C58D96 -1066.34 11.76 -8.86 -0.17 0
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223221 85334704 1 S2N16O17C56H92 A2B16C17D56E92 -806.99 10.95 -9.15 -0.54 0
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223222 85334706 1 O9N13C32H47 A9B13C32D47 -316.15 8.73 -9.01 -1.11 0
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223223 85334707 1 O9N13C32H41 A9B13C32D41 -226.6 15.24 -9.42 -2.1 1
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223224 85334708 1 N2S6O28C50H57 A2B6C28D50E57 -977.96 3.08 0.0 0.0 0
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223225 85334710 1 O17N18C58H106 A17B18C58D106 -870.72 8.45 -9.09 0.04 0
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223226 85334711 1 SN16O17C58H104 AB16C17D58E104 -872.94 7.24 -8.99 -0.13 0
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223227 85334712 1 S2O12N20C57H108 A2B12C20D57E108 -534.69 8.04 -8.73 -0.25 0
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223228 85334714 1 S2N15O18C57H85 A2B15C18D57E85 -790.74 21.67 -9.01 -0.23 0
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223229 85334716 2 NS3C12O19H20 AB3C12D19E20 -1566.27 9.26 -10.66 -1.8 0
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223231 85334718 1 PN13O14C61H90 AB13C14D61E90 -575.72 14.63 -7.72 -0.2 0
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223232 85334719 1 SO13N20C59H106 AB13C20D59E106 -618.4 7.37 -8.83 0.0 0
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223233 85334722 2 O8N11C28H50 A8B11C28D50 -755.38 6.08 -9.46 -0.23 0
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223234 85334724 1 SO14N15C65H93 AB14C15D65E93 -527.74 8.45 -8.68 -0.25 0