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CC(=O)[C@H]1[C@@H](NC(=O)N[C@@]1(C(F)(F)F)O)c2ccc(c(c2)OC)OCc3ccc(cc3F)F C01[X(C21H19F5N2O5)] 150 C01 533 COc1cc(ccc1OCc1ccc(cc1F)F)[C@@H]1NC(=O)N[C@]([C@H]1C(=O)C)(O)C(F)(F)F CO[C]1[CH][C]([CH][CH][C]1OC[C]1[CH][CH][C]([CH][C]1F)F)[C@@H]1NC(=O)N[C@]([C@H]1C(=O)C)(O)C(F)(F)F CO[C]1[CH][C]([CH][CH][C]1OC[C]2[CH][CH][C](F)[CH][C]2F)[C@@H]3NC(=O)N[C@@](O)([C@H]3C(C)=O)C(F)(F)F InChIKey=VUQPFMSTNBGLNS-CALCHBBNSA-N InChI=1S/C21H19F5N2O5/c1-10(29)17-18(27-19(30)28-20(17,31)21(24,25)26)11-4-6-15(16(7-11)32-2)33-9-12-3-5-13(22)8-14(12)23/h3-8,17-18,31H,9H2,1-2H3,(H2,27,28,30)/t17-,18-,20+/m0/s1 InChI=1/C21H19F5N2O5/c1-10(29)17-18(27-19(30)28-20(17,31)21(24,25)26)11-4-6-15(16(7-11)32-2)33-9-12-3-5-13(22)8-14(12)23/h3-8,17-18,31H,9H2,1-2H3,(H2,27,28,30)/t17-,18-,20+/m0/s1/f/h27-28H 3470.2470242883 -1786.7152809 1-A 23200.5396 122 411 533 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|3.359040|3.611442|6.783856|3.317115|0.087689|3.861112|0.108412|4.344676|2.613624|4.140712|3.350348|2.671632|2.322771|4.575065|5.276575|5.075409|4.703885|5.178816|4.622956|5.297725|8.168375|14.162674|7.898796|73.516695| |3.271149|3.616404|7.234537|3.213461|0.082224|3.690825|0.109726|4.108156|2.514795|3.981139|3.271183|2.656212|2.311149|4.586713|5.341199|4.936859|4.851952|4.514119|3.802249|3.991014|5.245411|8.032205|6.753323|24.174430|36.858105| |3.009449|3.035133|5.240827|2.978760|0.084615|3.367094|0.087301|4.089156|2.499483|4.047661|3.161111|2.416633|2.150683|4.254947|4.762055|4.908408|4.049052|4.604682|5.187821|7.885121|14.152694|8.176851|5.298667|13.161476|4.796362|73.516695| |2.669385|2.635011|4.471766|2.642309|0.076855|2.912717|0.074617|3.685688|2.312311|3.812086|2.926177|2.194613|1.988083|3.971884|4.366809|4.614815|3.634782|3.780882|4.500052|6.709254|8.014416|5.245938|3.986382|8.536336|3.551819|24.241997|36.858105| |2.289592|2.245915|3.879127|2.215376|0.063648|2.403111|0.063038|3.057434|1.961582|3.270046|2.509486|1.887482|1.734862|3.509701|3.850487|4.005405|3.174951|2.972547|3.337147|4.407287|5.236388|4.081878|3.200317|7.355576|3.221726|14.366216|12.613899|36.858105| |2.205595|2.176938|3.838364|2.105692|0.059434|2.284579|0.061184|2.869113|1.844353|3.068690|2.374239|1.805119|1.659982|3.369216|3.724443|3.785880|3.085891|2.790609|2.986683|3.762956|4.694629|4.028442|3.124032|7.936045|3.527562|12.445955|7.460116|13.735062|36.858105| |1.926768|1.894923|3.357938|1.830317|0.051541|1.961951|0.052978|2.489313|1.626598|2.729504|2.107039|1.598275|1.485614|3.044550|3.345135|3.385374|2.749654|2.322559|2.453807|2.958525|3.500314|3.148987|2.565568|6.217764|2.958770|8.244327|4.981512|7.882226|13.734623|36.858105| |1.773499|1.733335|3.042865|1.692288|0.048072|1.798732|0.048253|2.315912|1.530037|2.587692|1.983702|1.491862|1.397487|2.879099|3.132578|3.208181|2.551690|2.100499|2.252189|2.690492|3.035624|2.690289|2.257346|5.102590|2.468875|6.863683|4.454585|6.883699|8.011894|13.841003|36.858105| |1.808383|1.759725|3.049881|1.739860|0.049993|1.846063|0.048923|2.400707|1.588496|2.694667|2.052528|1.531245|1.435992|2.955223|3.194942|3.326204|2.591434|2.162911|2.377357|2.878400|3.144221|2.688473|2.272675|4.907413|2.344766|7.074487|5.026048|7.838720|6.854315|7.895152|13.811453|36.858105| |2.034814|1.980865|3.401947|1.972249|0.057098|2.108817|0.055232|2.736291|1.789139|3.018284|2.296936|1.710808|1.591881|3.249616|3.522109|3.702834|2.869251|2.528441|2.852306|3.603143|3.936496|3.187570|2.640322|5.660164|2.611243|9.286734|7.632557|13.778512|8.056939|6.955656|8.110306|13.851233|36.858105| |2.029591|1.968246|3.333849|1.993194|0.058522|2.119239|0.054791|2.795042|1.840315|3.122878|2.356172|1.735055|1.620279|3.311545|3.551944|3.810225|2.876248|2.522616|2.926720|3.681767|3.750716|2.986930|2.547069|5.095425|2.375059|8.223065|6.930936|8.184246|5.325950|4.678751|5.342465|8.187577|14.292965|97.533100| |1.593271|1.557179|2.745277|1.518073|0.042983|1.602796|0.043264|2.073236|1.383606|2.351500|1.802076|1.354360|1.276965|2.648849|2.870114|2.925798|2.328621|1.837821|1.947705|2.266432|2.515280|2.290177|1.966619|4.355215|2.173931|5.437224|3.399849|4.652809|5.307448|8.165216|14.356811|8.192561|5.351813|9.216245|97.533100| |17.625665|8.937850|13.465879|5.437198|0.144642|4.194011|0.111839|4.460827|2.999238|4.491750|4.570470|4.311569|4.402307|7.721051|12.058787|9.633935|7.118682|4.145830|3.659876|3.300753|3.288378|3.638170|4.126154|5.843534|3.298296|5.056691|2.513830|2.206418|2.163283|1.907811|1.748183|1.763410|1.961836|4.351509|3.554707|0.500000| |17.523915|8.982055|11.365923|6.572700|0.200177|5.069818|0.123058|5.305166|3.427778|5.060018|5.056753|4.548088|4.364746|7.531906|10.455888|10.321843|6.902502|5.485026|5.125248|4.512472|4.250860|4.457295|5.037683|6.619916|3.460480|6.232510|3.099005|2.599367|2.468938|2.124199|1.951181|2.004099|2.287738|5.148126|3.901105|0.299319|0.500000| |17.588519|8.821051|10.755827|6.780171|0.205431|4.543825|0.113154|5.039843|3.523733|5.189251|5.670577|5.430598|6.138951|9.824925|16.181151|15.057414|7.893873|4.226543|3.919476|3.366701|3.126802|3.279488|3.776291|5.069893|2.766527|4.749748|2.439150|2.107356|2.012976|1.777384|1.657078|1.701583|1.905695|4.329337|3.369739|0.298368|0.302207|0.500000| |3.336587|4.140403|6.854803|5.684663|0.148297|9.033334|0.206139|26.027706|9.641983|14.010638|8.141631|5.073912|3.679818|7.381704|7.107111|7.869417|8.121531|7.222055|6.458561|4.599779|3.896748|4.047959|5.145169|5.758306|3.028417|5.507897|2.801121|2.318411|2.169725|1.878698|1.748051|1.814698|2.073127|4.766574|3.514047|0.080215|0.094725|0.087749|0.500000| |3.445940|4.107675|6.464923|5.721834|0.152721|5.007598|0.127251|8.167947|9.576794|14.166451|25.992708|9.078869|7.445561|18.082610|11.254411|14.445156|12.060814|3.682150|3.412917|2.734057|2.427169|2.518660|3.013902|3.879823|2.144189|3.689147|1.943240|1.688160|1.600830|1.433844|1.357641|1.404573|1.560128|3.608353|2.792017|0.082641|0.088756|0.101690|0.134090|0.500000| |3.763632|4.963749|8.769621|5.923683|0.131704|5.194453|0.157917|6.801753|5.742844|8.307446|10.427546|9.843847|7.287905|16.880970|13.952708|11.171095|35.670691|3.694840|3.116475|2.560653|2.407638|2.650858|3.272915|4.193237|2.434583|3.666758|1.873468|1.651401|1.605933|1.442205|1.345536|1.367006|1.504946|3.403038|2.777124|0.094499|0.091344|0.105094|0.115158|0.203610|0.500000| |4.114438|4.502147|6.781468|5.807855|0.191808|6.932107|0.140966|9.732957|5.343485|7.995338|6.214593|4.338440|3.555972|6.730297|7.086849|8.481790|6.345138|8.932699|17.730459|8.924878|5.651056|4.945140|5.647933|6.519874|3.139686|7.453215|3.909020|2.985225|2.648482|2.224224|2.082236|2.222201|2.643046|6.257844|4.091612|0.094573|0.130823|0.107922|0.190972|0.104988|0.087914|0.500000| |3.315445|3.340718|5.366134|3.619662|0.110932|4.084868|0.096795|5.305146|3.203368|5.173845|3.942060|2.882084|2.539941|4.967401|5.381590|6.023950|4.549138|5.658566|8.936442|17.762278|8.940343|5.631475|4.971086|7.592170|3.328699|12.546449|7.455202|4.698302|3.776598|2.993232|2.799373|3.096391|3.983727|9.661656|5.273642|0.081575|0.109646|0.085150|0.111670|0.070867|0.064359|0.217261|0.500000| |4.487364|5.864525|12.116196|5.340996|0.125640|7.085157|0.228613|6.637245|3.730843|5.559733|4.784451|4.032231|3.215366|6.150761|7.249273|6.660795|7.383467|8.928115|5.677828|4.972094|5.635896|8.960339|17.776442|12.609091|7.553114|7.603680|3.329537|2.804761|2.812158|2.368484|2.082737|2.069089|2.351685|5.070982|4.141417|0.116401|0.128514|0.102074|0.130530|0.083077|0.097393|0.124439|0.107912|0.500000| |3.782876|4.193612|8.741467|3.512230|0.088499|3.884454|0.116684|4.181922|2.580536|4.030024|3.435339|2.870065|2.512481|4.928163|5.927128|5.319889|5.282713|4.603287|3.770264|3.816162|4.773918|7.084306|6.781593|16.431304|17.567078|7.548209|3.249336|2.930282|3.144907|2.678806|2.276597|2.180492|2.420448|5.021548|4.548603|0.108783|0.109345|0.086550|0.083352|0.062340|0.072711|0.087195|0.088520|0.227392|0.500000| |3.063374|3.518764|7.140938|3.230126|0.081242|3.856512|0.119007|4.341141|2.638904|4.193411|3.381130|2.719908|2.323042|4.654846|5.309933|4.899183|5.069185|4.566534|3.739544|3.784712|4.733420|7.021863|6.732486|16.432320|17.560916|7.501295|3.233702|2.921641|3.142158|2.679020|2.274844|2.176312|2.413459|5.003103|4.547560|0.084548|0.088205|0.073000|0.090289|0.061561|0.070961|0.086617|0.087892|0.226819|0.298938|0.500000| |2.849532|3.054439|6.034590|2.730228|0.070870|3.052625|0.089884|3.513066|2.202190|3.539032|2.880248|2.316727|2.058091|4.135499|4.777277|4.423118|4.235017|3.617006|3.190821|3.415956|4.409342|5.892799|4.919019|17.008738|17.649181|7.778086|3.348867|3.191513|3.649580|3.135844|2.569338|2.382152|2.598996|5.224834|5.133325|0.081062|0.083405|0.068186|0.072223|0.053138|0.059898|0.075171|0.082038|0.147162|0.299742|0.300049|0.500000| |2.506631|2.520999|4.266228|2.602360|0.075887|2.922686|0.074443|3.816063|2.391721|3.992861|2.972368|2.186057|1.965004|3.954044|4.258663|4.564220|3.610267|3.758977|4.605686|6.794774|7.113479|4.783930|3.819339|7.558972|3.247891|16.555719|17.547591|8.894955|5.857625|4.296986|4.014595|4.639700|6.818059|15.702413|7.090527|0.064899|0.079703|0.064384|0.082199|0.054932|0.051983|0.113950|0.227159|0.088625|0.082209|0.085034|0.084460|0.500000| |2.841167|2.724980|4.531016|2.728350|0.081107|2.919619|0.073614|3.687144|2.337142|3.834685|2.995728|2.252498|2.067319|4.103541|4.541852|4.873560|3.674703|3.750455|4.597795|6.786143|7.097675|4.770812|3.808222|7.541775|3.248047|16.553632|17.547767|8.896822|5.843813|4.291625|4.014948|4.647472|6.841528|15.812644|7.091077|0.073792|0.093509|0.072686|0.076476|0.055264|0.052528|0.113718|0.227314|0.088419|0.085466|0.081816|0.084554|0.301892|0.500000| |2.369122|2.362932|4.219945|2.256805|0.062930|2.472591|0.066874|3.050352|1.939970|3.201361|2.497570|1.917495|1.748666|3.533017|3.942864|3.951990|3.303527|3.060493|3.188477|3.997047|5.332377|4.803440|3.566781|10.219656|4.362163|14.397599|6.907745|8.972589|17.769888|8.923499|5.682771|4.946375|5.708168|9.644165|9.605513|0.064874|0.073570|0.059223|0.063987|0.046530|0.047492|0.076839|0.106362|0.089453|0.104748|0.104796|0.127538|0.151125|0.150570|0.500000| |1.848630|1.825167|3.269868|1.748268|0.048808|1.870339|0.051058|2.363745|1.550105|2.601282|2.015999|1.536445|1.430477|2.941357|3.239204|3.238431|2.667632|2.187733|2.264125|2.665514|3.159356|2.964386|2.444022|6.024539|2.967059|7.135353|4.050820|5.611168|8.851517|17.750260|8.968174|5.642728|4.997598|8.331472|16.688168|0.051322|0.056028|0.047287|0.049451|0.038202|0.038935|0.057016|0.073591|0.063807|0.074446|0.074559|0.089872|0.099121|0.098966|0.213102|0.500000| |1.677026|1.628186|2.813590|1.618299|0.046648|1.705475|0.045161|2.238662|1.496118|2.553713|1.937396|1.437944|1.357064|2.807734|3.013448|3.154360|2.430137|1.969444|2.166438|2.571890|2.732842|2.362291|2.041377|4.264248|2.074449|5.896070|4.110333|5.604797|4.946007|5.623308|8.877081|17.764818|8.906485|16.612555|16.569396|0.045400|0.051328|0.044227|0.046959|0.037027|0.035772|0.057095|0.077447|0.051930|0.054086|0.053979|0.058351|0.109487|0.109716|0.107475|0.124127|0.500000| 1784.009418 -11148.601472 4328.809355 -221.179890 -5256.962589 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