Brünjes, Jonas; Schubotz, Florence (2022): Processed crosstab showing identified DOM molecular formulae and corresponding relative intensities of mesocosm samples from sediment core GeoB 19339-1 [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.946416, In: Brünjes, J; Schubotz, F (2022): Chapopote asphalt volcano (GOM): asphalt dissolved organic matter released in mesocosm experiments (M114/2, GeoB 19339-1) [dataset publication series]. PANGAEA, https://doi.org/10.1594/PANGAEA.946420
Always quote citation above when using data! You can download the citation in several formats below.
Published: 2022-07-18 • DOI registered: 2022-10-06
Keyword(s):
Project(s):
Funding:
German Research Foundation (DFG), grant/award no. 390741603: EXC 2077: The Ocean Floor – Earth's Uncharted Interface
Coverage:
Latitude: 21.899183 * Longitude: -93.436833
Date/Time Start: 2015-03-16T11:23:00 * Date/Time End: 2015-03-16T11:23:00
Minimum Elevation: -2905.0 m * Maximum Elevation: -2905.0 m
Event(s):
GeoB19339-1 (M114/2_96-1) * Latitude: 21.899183 * Longitude: -93.436833 * Date/Time: 2015-03-16T11:23:00 * Elevation: -2905.0 m * Location: Gulf of Mexico * Campaign: M114/2 * Basis: Meteor (1986) * Method/Device: Gravity corer (GC) * Comment: Recovery of piece of asphalt and sediment
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Molecular formula | Formula | Brünjes, Jonas | |||
| 2 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 0 Days -1 |
| 3 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 0 Days -2 |
| 4 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 0 Days -3 |
| 5 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 10 Days -1 |
| 6 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 10 Days -2 |
| 7 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 10 Days -3 |
| 8 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 28 Days -1 |
| 9 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 28 Days -2 |
| 10 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 28 Days -3 |
| 11 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 0 Days - control |
| 12 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 10 Days - control |
| 13 | Percentage of total formulae | Perc total form | % | Brünjes, Jonas | Fluorescence spectrophotometer (Agilent Cary Eclipse, USA) | 28 Days - control |
License:
Creative Commons Attribution 4.0 International (CC-BY-4.0)
Status:
Curation Level: Enhanced curation (CurationLevelC)
Size:
107575 data points
Data
| 1 Formula | 2 Perc total form [%] (0 Days -1) | 3 Perc total form [%] (0 Days -2) | 4 Perc total form [%] (0 Days -3) | 5 Perc total form [%] (10 Days -1) | 6 Perc total form [%] (10 Days -2) | 7 Perc total form [%] (10 Days -3) | 8 Perc total form [%] (28 Days -1) | 9 Perc total form [%] (28 Days -2) | 10 Perc total form [%] (28 Days -3) | 11 Perc total form [%] (0 Days - control) | 12 Perc total form [%] (10 Days - control) | 13 Perc total form [%] (28 Days - control) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| C6H8O | 0.004213929 | 0.004998013 | 0.000000000 | 0.069072078 | 0.044149533 | 0.026282358 | 0.034980730 | 0.020430068 | 0.017465567 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H6O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005318207 | 0.005746750 | 0.004585588 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H10O | 0.008052927 | 0.007379757 | 0.005729912 | 0.015401430 | 0.012879269 | 0.013567165 | 0.014491950 | 0.010866537 | 0.010463345 | 0.006238804 | 0.011540208 | 0.000000000 |
| C4H4O3 | 0.005433483 | 0.006318803 | 0.004578536 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004787771 | 0.000000000 | 0.000000000 |
| C5H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006852470 | 0.005907041 | 0.000000000 | 0.003935058 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H8O2 | 0.000000000 | 0.005860706 | 0.000000000 | 0.010687503 | 0.008741035 | 0.009131319 | 0.006390028 | 0.008376943 | 0.005628679 | 0.004849554 | 0.000000000 | 0.000000000 |
| C6H12O | 0.000000000 | 0.004984087 | 0.000000000 | 0.013505738 | 0.012026242 | 0.010857738 | 0.012982352 | 0.005959044 | 0.005668444 | 0.000000000 | 0.000000000 | 0.000000000 |
| C4H6O3 | 0.000000000 | 0.005391204 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007317655 | 0.005477457 | 0.004883209 | 0.000000000 | 0.004572018 | 0.000000000 | 0.000000000 |
| C5H10O2 | 0.031771868 | 0.046293677 | 0.043629925 | 0.073372524 | 0.077005429 | 0.087679574 | 0.048109908 | 0.055409848 | 0.053221435 | 0.030617892 | 0.049214257 | 0.014134823 |
| C8H10 | 0.000000000 | 0.000000000 | 0.000000000 | 0.033660804 | 0.027435950 | 0.021234275 | 0.042191012 | 0.027745508 | 0.025254944 | 0.000000000 | 0.000000000 | 0.009783356 |
| C7H8O | 0.017928626 | 0.025178567 | 0.025174829 | 0.123864775 | 0.121330813 | 0.107745580 | 0.070753405 | 0.091951669 | 0.059826771 | 0.020803621 | 0.039981735 | 0.018746974 |
| C6H6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.017813019 | 0.030715774 | 0.026789310 | 0.033421247 | 0.028637821 | 0.021448448 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H6O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.018265189 | 0.020438515 | 0.023513462 | 0.030028789 | 0.019427983 | 0.013757191 | 0.004132028 | 0.011882965 | 0.000000000 |
| C7H10O | 0.011656028 | 0.013980748 | 0.011690533 | 0.067233306 | 0.057037794 | 0.052929091 | 0.053698263 | 0.049136403 | 0.045057293 | 0.010989631 | 0.015956518 | 0.000000000 |
| C6H9NO | 0.004328561 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H4OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005704131 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H4O3 | 0.006443712 | 0.005159026 | 0.000000000 | 0.017680316 | 0.017674723 | 0.015132993 | 0.000000000 | 0.005704345 | 0.004989520 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.009130515 | 0.008465899 | 0.007361227 | 0.007299178 | 0.006039935 | 0.005510677 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8O2 | 0.004480519 | 0.008411091 | 0.005621322 | 0.031585987 | 0.037788550 | 0.033085595 | 0.029586996 | 0.026156133 | 0.025057762 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H12O | 0.046204932 | 0.052826695 | 0.047562420 | 0.100015739 | 0.094025801 | 0.102156615 | 0.049070455 | 0.051021865 | 0.046477732 | 0.037039842 | 0.056233920 | 0.011442202 |
| C5H7NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007508371 | 0.008416604 | 0.006887224 | 0.013059368 | 0.008871211 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H6O3 | 0.005313064 | 0.000000000 | 0.004790412 | 0.009847643 | 0.000000000 | 0.006315478 | 0.000000000 | 0.000000000 | 0.005854017 | 0.005030220 | 0.000000000 | 0.000000000 |
| C6H10S | 0.004305089 | 0.005017594 | 0.005082490 | 0.014351412 | 0.014305268 | 0.016064618 | 0.015227488 | 0.010141973 | 0.007609807 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H10O2 | 0.010160525 | 0.011880691 | 0.007602816 | 0.030068467 | 0.029690800 | 0.027709393 | 0.016144046 | 0.016578694 | 0.013286603 | 0.010738588 | 0.018171441 | 0.011783071 |
| C7H14O | 0.006032852 | 0.000000000 | 0.000000000 | 0.015581975 | 0.011687359 | 0.010399771 | 0.011743936 | 0.006864000 | 0.006342988 | 0.000000000 | 0.000000000 | 0.000000000 |
| C4H4O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006077730 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H8OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.011844483 | 0.012386337 | 0.009415984 | 0.006479273 | 0.006793673 | 0.007114318 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H8O3 | 0.007589952 | 0.007131972 | 0.000000000 | 0.008186829 | 0.000000000 | 0.007843286 | 0.000000000 | 0.003929358 | 0.000000000 | 0.006054481 | 0.012986425 | 0.008206690 |
| C9H8 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011083421 | 0.011322900 | 0.010430853 | 0.011575673 | 0.010749987 | 0.012405968 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H12S | 0.000000000 | 0.004402029 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006368623 | 0.004189601 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H12O2 | 0.031492157 | 0.039099927 | 0.034710144 | 0.033498011 | 0.033300480 | 0.033036925 | 0.061595094 | 0.054755434 | 0.059537167 | 0.027681309 | 0.043112265 | 0.024326696 |
| C8H6O | 0.000000000 | 0.005515341 | 0.000000000 | 0.000000000 | 0.007459190 | 0.007587350 | 0.007617143 | 0.005890820 | 0.004807038 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10 | 0.004189479 | 0.000000000 | 0.000000000 | 0.049151532 | 0.033581698 | 0.032203682 | 0.025605594 | 0.013713771 | 0.012160984 | 0.000000000 | 0.000000000 | 0.000000000 |
| C3H4O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006611071 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O | 0.017648121 | 0.029510710 | 0.023677351 | 0.099495658 | 0.085723780 | 0.067550887 | 0.069517907 | 0.044380905 | 0.037289830 | 0.022692059 | 0.045251621 | 0.016856983 |
| C9H12 | 0.000000000 | 0.005624124 | 0.004405912 | 0.016634330 | 0.010274374 | 0.013329548 | 0.031749043 | 0.024346563 | 0.024504999 | 0.000000000 | 0.000000000 | 0.012599007 |
| C3H7NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.008591680 | 0.009647616 | 0.011122189 | 0.006262551 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006755995 | 0.008915116 | 0.007050860 | 0.006707420 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H6O2 | 0.037875635 | 0.027995452 | 0.038131404 | 0.043363044 | 0.054155024 | 0.047537531 | 0.036986757 | 0.059832511 | 0.053100156 | 0.086045453 | 0.139531152 | 0.051295624 |
| C8H10O | 0.063252566 | 0.094172361 | 0.092587421 | 0.300896322 | 0.356513053 | 0.280195640 | 0.175208740 | 0.283095594 | 0.184488177 | 0.067847740 | 0.096890875 | 0.027788352 |
| C7H9NO | 0.006442941 | 0.008118985 | 0.007709670 | 0.000000000 | 0.007057046 | 0.000000000 | 0.000000000 | 0.005576163 | 0.000000000 | 0.005223354 | 0.000000000 | 0.000000000 |
| C7H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.060321522 | 0.090942916 | 0.086245859 | 0.112324601 | 0.114419968 | 0.097301822 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H12O | 0.034953753 | 0.044421047 | 0.037839074 | 0.093046491 | 0.085007839 | 0.091102386 | 0.143976537 | 0.102562305 | 0.113379956 | 0.033048323 | 0.047264885 | 0.018347630 |
| C6H7NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004739797 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H6OS | 0.000000000 | 0.004862837 | 0.000000000 | 0.030693354 | 0.026106300 | 0.025407472 | 0.016084077 | 0.030728301 | 0.016095825 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H6O3 | 0.005359259 | 0.007473225 | 0.006022805 | 0.011839984 | 0.012612923 | 0.013204031 | 0.009451495 | 0.010327427 | 0.008359893 | 0.007870163 | 0.000000000 | 0.000000000 |
| C7H10S | 0.000000000 | 0.000000000 | 0.000000000 | 0.010075475 | 0.007372599 | 0.008917117 | 0.010095813 | 0.008058298 | 0.007149380 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H10O2 | 0.020831130 | 0.030792274 | 0.027684589 | 0.181373272 | 0.164617121 | 0.140364078 | 0.154861862 | 0.115969340 | 0.091348260 | 0.024451076 | 0.032459455 | 0.011571503 |
| C8H14O | 0.111979533 | 0.078561487 | 0.064928675 | 0.168344059 | 0.147271624 | 0.166746200 | 0.216798872 | 0.145535314 | 0.158226266 | 0.059954123 | 0.105522870 | 0.026016718 |
| C6H9NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005850338 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H4O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007879691 | 0.011795492 | 0.007320763 | 0.004892660 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.016633204 | 0.016140066 | 0.016462648 | 0.013753151 | 0.014625832 | 0.011509058 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8O3 | 0.019364775 | 0.022672016 | 0.021584676 | 0.073746648 | 0.076288191 | 0.062888321 | 0.078807295 | 0.054572038 | 0.037942025 | 0.016350547 | 0.024404856 | 0.000000000 |
| C7H12S | 0.011038274 | 0.015713609 | 0.011993585 | 0.042326569 | 0.033566265 | 0.036601179 | 0.033101778 | 0.023404424 | 0.019036504 | 0.011049755 | 0.014018578 | 0.000000000 |
| C8H16O | 0.007849817 | 0.006975622 | 0.005132284 | 0.015244052 | 0.013333297 | 0.009105383 | 0.010581982 | 0.009356238 | 0.011506198 | 0.007521083 | 0.012834712 | 0.000000000 |
| C5H7NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011292086 | 0.010037680 | 0.022563678 | 0.000000000 | 0.000000000 | 0.004572127 | 0.004398458 | 0.016554596 | 0.000000000 |
| C6H11NO2 | 0.004855105 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H15NO | 0.006922406 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H10OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.012812456 | 0.016079860 | 0.014102429 | 0.015843976 | 0.010793617 | 0.009455129 | 0.004426404 | 0.000000000 | 0.000000000 |
| C6H10O3 | 0.012900037 | 0.015213079 | 0.009950591 | 0.020539462 | 0.024481419 | 0.015765925 | 0.016559313 | 0.018681061 | 0.014013212 | 0.012908910 | 0.025747362 | 0.012319906 |
| C10H10 | 0.000000000 | 0.000000000 | 0.000000000 | 0.020695555 | 0.024232186 | 0.019136757 | 0.032138258 | 0.029991524 | 0.027139936 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H14O2 | 0.061214677 | 0.076429292 | 0.067975245 | 0.152982127 | 0.137663589 | 0.148625213 | 0.044209472 | 0.039933126 | 0.031802466 | 0.055646932 | 0.079857167 | 0.050350292 |
| C6H13NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H8O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008185688 | 0.009952715 | 0.008348780 | 0.005999928 | 0.005402476 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H8O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004302682 | 0.000000000 | 0.000000000 |
| C9H8O | 0.000000000 | 0.000000000 | 0.004860456 | 0.020305598 | 0.030811530 | 0.028497776 | 0.027385026 | 0.029432092 | 0.023644193 | 0.004389604 | 0.000000000 | 0.000000000 |
| C6H12OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007749208 | 0.007999993 | 0.005690318 | 0.006054429 | 0.007134808 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H12O3 | 0.000000000 | 0.008940063 | 0.004326490 | 0.015328799 | 0.008050093 | 0.000000000 | 0.000000000 | 0.005804499 | 0.003988987 | 0.014689377 | 0.019416597 | 0.008475953 |
| C10H12 | 0.000000000 | 0.006929528 | 0.004957327 | 0.038507337 | 0.035760004 | 0.045941349 | 0.045722400 | 0.036616867 | 0.037643205 | 0.004085479 | 0.000000000 | 0.009074126 |
| C4H7NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H7NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010677562 | 0.007408546 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6S | 0.029433858 | 0.048713973 | 0.046269602 | 0.078374513 | 0.101515776 | 0.083643960 | 0.155907168 | 0.133124901 | 0.124137410 | 0.035541443 | 0.047104092 | 0.019060586 |
| C8H6O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016515520 | 0.014781865 | 0.013134119 | 0.009300282 | 0.013447835 | 0.009051920 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H10O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008700735 | 0.008618610 | 0.006082148 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O | 0.010747123 | 0.014114405 | 0.013027727 | 0.092910139 | 0.089557821 | 0.083717025 | 0.069346026 | 0.067509971 | 0.051501826 | 0.015933609 | 0.027755264 | 0.014128128 |
| C10H14 | 0.004318523 | 0.000000000 | 0.000000000 | 0.009151076 | 0.000000000 | 0.000000000 | 0.012289780 | 0.009669573 | 0.010630846 | 0.000000000 | 0.000000000 | 0.012083602 |
| C7H5NS | 0.047619309 | 0.000000000 | 0.008306000 | 0.000000000 | 0.009154768 | 0.006273706 | 0.000000000 | 0.013915114 | 0.006407716 | 0.010700580 | 0.026921958 | 0.000000000 |
| C6H5N3O | 0.000000000 | 0.000000000 | 0.004211017 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.057568735 | 0.026010189 | 0.055722536 | 0.074698189 | 0.029015129 | 0.034039771 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H4N4O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O2 | 0.019134482 | 0.028513855 | 0.026810860 | 0.165489139 | 0.153738194 | 0.141737237 | 0.214130585 | 0.185370860 | 0.147957586 | 0.027516796 | 0.047220726 | 0.035761762 |
| C9H12O | 0.050118512 | 0.070112294 | 0.066575175 | 0.638478400 | 0.408042306 | 0.425442533 | 0.277352133 | 0.202297470 | 0.164916986 | 0.052895599 | 0.087827786 | 0.028036765 |
| C8H11NO | 0.010292398 | 0.014165730 | 0.012297284 | 0.012179611 | 0.017504044 | 0.011056576 | 0.000000000 | 0.006980061 | 0.000000000 | 0.008271394 | 0.000000000 | 0.000000000 |
| C7H6OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.068503541 | 0.074154561 | 0.105038060 | 0.181572931 | 0.072387856 | 0.078820970 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H6O3 | 0.007882729 | 0.010285824 | 0.009950503 | 0.033248041 | 0.030517065 | 0.022861825 | 0.015243794 | 0.015019958 | 0.011263254 | 0.011385884 | 0.030402774 | 0.020737894 |
| C8H10S | 0.000000000 | 0.000000000 | 0.000000000 | 0.051797483 | 0.064531378 | 0.066780081 | 0.148850555 | 0.104948649 | 0.096916218 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O2 | 0.093066883 | 0.144793309 | 0.139729047 | 0.871788426 | 0.982644048 | 0.921208356 | 0.213784792 | 0.237123508 | 0.121219473 | 0.103161592 | 0.124439923 | 0.024644116 |
| C9H14O | 0.043809669 | 0.053964879 | 0.044150942 | 0.077852594 | 0.066137827 | 0.074184223 | 0.123514181 | 0.094199283 | 0.122786161 | 0.039611030 | 0.049096881 | 0.021830112 |
| C6H5NO3 | 0.009221874 | 0.005138116 | 0.006383850 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005329971 | 0.014727614 | 0.000000000 |
| C7H9NO2 | 0.000000000 | 0.000000000 | 0.004219859 | 0.000000000 | 0.010915623 | 0.005972389 | 0.000000000 | 0.005051895 | 0.000000000 | 0.005338390 | 0.000000000 | 0.000000000 |
| C8H13NO | 0.004480373 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C3H9O2SP | 0.000000000 | 0.000000000 | 0.004169505 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H4O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005117974 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H8OS | 0.004532332 | 0.008068096 | 0.008800604 | 0.037635288 | 0.037715190 | 0.038729684 | 0.030631383 | 0.089119978 | 0.044761889 | 0.005913001 | 0.000000000 | 0.000000000 |
| C7H8O3 | 0.010615636 | 0.013020903 | 0.011317709 | 0.060310866 | 0.057769947 | 0.056175696 | 0.025507704 | 0.023972337 | 0.017943778 | 0.012430706 | 0.023181972 | 0.010631456 |
| C8H12S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008371715 | 0.007159789 | 0.011464422 | 0.007890843 | 0.006328254 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H12O2 | 0.039241002 | 0.044008023 | 0.040482377 | 0.297155670 | 0.263844513 | 0.273891578 | 0.408324091 | 0.294712973 | 0.282457872 | 0.036752132 | 0.050116053 | 0.019540882 |
| C6H7NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007098761 | 0.004826893 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H15NO | 0.006138703 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H6O2S | 0.000000000 | 0.000000000 | 0.004035629 | 0.014758407 | 0.024024411 | 0.018005558 | 0.017205797 | 0.026307156 | 0.016413101 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H6O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007736710 | 0.007202567 | 0.000000000 | 0.000000000 | 0.005363431 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H10OS | 0.000000000 | 0.005563202 | 0.004569989 | 0.019305748 | 0.018307584 | 0.019451074 | 0.013605433 | 0.015521308 | 0.011265065 | 0.004515412 | 0.000000000 | 0.000000000 |
| C7H10O3 | 0.024417770 | 0.025130639 | 0.024245514 | 0.133207244 | 0.123148891 | 0.122077600 | 0.103530211 | 0.081983957 | 0.079278102 | 0.020558166 | 0.032469808 | 0.012971897 |
| C6H10N2O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10 | 0.014999213 | 0.023393505 | 0.019665978 | 0.019076158 | 0.017882731 | 0.019746998 | 0.029454050 | 0.045333961 | 0.031771547 | 0.017022342 | 0.026448747 | 0.021940147 |
| C8H14S | 0.014428121 | 0.019788953 | 0.017555111 | 0.058672521 | 0.044221224 | 0.050671469 | 0.041799047 | 0.030380733 | 0.022209853 | 0.014015208 | 0.019013484 | 0.013691300 |
| C8H14O2 | 0.124382318 | 0.146214816 | 0.127579617 | 0.410401624 | 0.370727632 | 0.382420875 | 0.700273044 | 0.510895605 | 0.543050472 | 0.109923621 | 0.149334142 | 0.126722845 |
| C9H18O | 0.015965958 | 0.007715381 | 0.005685583 | 0.012408772 | 0.009922821 | 0.008753436 | 0.009501764 | 0.007193072 | 0.009608625 | 0.005388219 | 0.000000000 | 0.009852655 |
| C6H9NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007200857 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H13NO2 | 0.015817444 | 0.006126382 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H17NO | 0.028864863 | 0.008614140 | 0.004349759 | 0.008824560 | 0.009641423 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004764473 | 0.018489918 | 0.000000000 |
| C5H4O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005244163 | 0.004927067 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8O2S | 0.000000000 | 0.000000000 | 0.004106870 | 0.000000000 | 0.017176605 | 0.021690815 | 0.025516280 | 0.021111560 | 0.020674327 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8O4 | 0.000000000 | 0.000000000 | 0.005334175 | 0.012390067 | 0.016118987 | 0.012794888 | 0.009597678 | 0.012117565 | 0.009822565 | 0.006968130 | 0.000000000 | 0.000000000 |
| C5H8N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006495806 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O | 0.005443874 | 0.008175016 | 0.007807142 | 0.032521911 | 0.031907106 | 0.034845350 | 0.027480120 | 0.023583501 | 0.020165156 | 0.007154183 | 0.011007849 | 0.000000000 |
| C7H12OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.012348776 | 0.010406033 | 0.011929044 | 0.013803255 | 0.007820772 | 0.007926221 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H12O3 | 0.028829149 | 0.031587834 | 0.029051756 | 0.089177819 | 0.074408212 | 0.068368579 | 0.080277273 | 0.048801441 | 0.044768691 | 0.025040408 | 0.037846104 | 0.011013522 |
| C8H16S | 0.000000000 | 0.000000000 | 0.000000000 | 0.008272200 | 0.000000000 | 0.000000000 | 0.008016735 | 0.004512842 | 0.004892194 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H16O2 | 0.090811533 | 0.092142757 | 0.079281358 | 0.152434221 | 0.163119198 | 0.166960583 | 0.248121497 | 0.178561692 | 0.163925126 | 0.068753309 | 0.097575822 | 0.095587861 |
| C5H7NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H7NO | 0.006685974 | 0.008900582 | 0.008600958 | 0.000000000 | 0.008800386 | 0.005857609 | 0.000000000 | 0.005140478 | 0.000000000 | 0.012549781 | 0.000000000 | 0.013560612 |
| C5H6O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005533179 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005615715 | 0.004528685 | 0.006435624 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O2 | 0.004945961 | 0.007703963 | 0.008382317 | 0.019797027 | 0.024489888 | 0.020561022 | 0.021380962 | 0.024117017 | 0.014830463 | 0.006900569 | 0.012220838 | 0.000000000 |
| C6H10O2S | 0.006281944 | 0.008016847 | 0.008479190 | 0.035498806 | 0.037305303 | 0.037373783 | 0.030271749 | 0.023802596 | 0.018655794 | 0.006176989 | 0.012274108 | 0.000000000 |
| C8H6N2O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004928507 | 0.000000000 | 0.000000000 |
| C6H10O4 | 0.067703083 | 0.075853415 | 0.074906692 | 0.138017917 | 0.150929122 | 0.169474394 | 0.114959630 | 0.151379276 | 0.153324074 | 0.049794759 | 0.064906928 | 0.013956687 |
| C5H10N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O | 0.008287487 | 0.012813216 | 0.011362692 | 0.044768579 | 0.055590908 | 0.057993349 | 0.059873400 | 0.060033951 | 0.049211114 | 0.013478472 | 0.014699268 | 0.008257140 |
| C7H14O3 | 0.019383969 | 0.013043193 | 0.007692503 | 0.041256909 | 0.045745614 | 0.039171245 | 0.066501867 | 0.029835660 | 0.023398296 | 0.007324455 | 0.018212157 | 0.000000000 |
| C11H14 | 0.005896152 | 0.007337794 | 0.005369339 | 0.031788934 | 0.029691482 | 0.031577131 | 0.037254290 | 0.032125202 | 0.034242718 | 0.005159396 | 0.000000000 | 0.013036186 |
| C8H5NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008638436 | 0.005361100 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H9NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H9NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009011055 | 0.006054690 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8S | 0.186655410 | 0.307484775 | 0.314774046 | 0.190201309 | 0.262729951 | 0.184555853 | 0.280564484 | 0.347272382 | 0.298438831 | 0.245241956 | 0.284013379 | 0.099442479 |
| C9H8O2 | 0.016872518 | 0.026357248 | 0.022319607 | 0.171503209 | 0.148202197 | 0.153283095 | 0.144569844 | 0.107951257 | 0.095422150 | 0.020432523 | 0.026852808 | 0.012023938 |
| C6H12O2S | 0.000000000 | 0.000000000 | 0.004881118 | 0.012083743 | 0.010045203 | 0.009787658 | 0.013062783 | 0.012485460 | 0.012691220 | 0.004168992 | 0.000000000 | 0.000000000 |
| C6H12O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004697264 | 0.000000000 | 0.000000000 |
| C10H12O | 0.015948750 | 0.021134008 | 0.021933687 | 0.119108900 | 0.105060593 | 0.110514441 | 0.083596225 | 0.084006643 | 0.074944232 | 0.020456102 | 0.027859904 | 0.020502526 |
| C11H16 | 0.000000000 | 0.005581236 | 0.000000000 | 0.000000000 | 0.007021511 | 0.000000000 | 0.000000000 | 0.005273770 | 0.005531791 | 0.004097865 | 0.000000000 | 0.012833183 |
| C8H7NS | 0.000000000 | 0.000000000 | 0.003741842 | 0.000000000 | 0.029428691 | 0.022368831 | 0.007840483 | 0.055469195 | 0.037288373 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO | 0.000000000 | 0.000000000 | 0.004775410 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6OS | 0.000000000 | 0.005496711 | 0.005558734 | 0.054128636 | 0.136084614 | 0.066421286 | 0.060870455 | 0.084764352 | 0.054590650 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H10O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005127735 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10S | 0.000000000 | 0.000000000 | 0.000000000 | 0.022744915 | 0.014271029 | 0.028190105 | 0.051615317 | 0.032101481 | 0.036772842 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O2 | 0.029807502 | 0.033179829 | 0.027815041 | 0.339416723 | 0.264734660 | 0.216140840 | 0.243676079 | 0.198991179 | 0.175349685 | 0.030937619 | 0.056275703 | 0.051996113 |
| C10H14O | 0.046786337 | 0.043890848 | 0.039080302 | 0.286137075 | 0.218204538 | 0.214172916 | 0.181343823 | 0.151796798 | 0.139537804 | 0.035049285 | 0.050628445 | 0.020406148 |
| C7H5NOS | 0.035486397 | 0.010461082 | 0.015710913 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010127818 | 0.000000000 | 0.021881028 | 0.028096927 | 0.000000000 |
| C8H9NO2 | 0.012791282 | 0.022038698 | 0.017328056 | 0.000000000 | 0.012157375 | 0.008901858 | 0.000000000 | 0.007220739 | 0.004473546 | 0.012498475 | 0.000000000 | 0.000000000 |
| C9H13NO | 0.006545072 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009302197 | 0.006029719 | 0.000000000 | 0.006139816 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H4O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012962233 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8OS | 0.006579291 | 0.007787517 | 0.008068385 | 0.162769955 | 0.205250241 | 0.268632871 | 0.403945375 | 0.276676092 | 0.301207348 | 0.006596366 | 0.021397880 | 0.000000000 |
| C5H4N4O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O3 | 0.024712839 | 0.030641692 | 0.033080847 | 0.120008795 | 0.105474926 | 0.111304599 | 0.076540468 | 0.086355968 | 0.058018170 | 0.029035388 | 0.036287461 | 0.014805855 |
| C5H12O3S | 0.000000000 | 0.000000000 | 0.004827090 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12S | 0.000000000 | 0.005091266 | 0.003710333 | 0.021544808 | 0.025787951 | 0.030438709 | 0.088414067 | 0.051175585 | 0.056314396 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O2 | 0.030781829 | 0.036500579 | 0.035205785 | 0.277178554 | 0.218411760 | 0.213744816 | 0.359909340 | 0.307055047 | 0.250655542 | 0.030574320 | 0.043239441 | 0.013216036 |
| C10H16O | 0.034824244 | 0.034048861 | 0.030102834 | 0.050792819 | 0.043965094 | 0.048145343 | 0.072563410 | 0.063328566 | 0.089678340 | 0.029028670 | 0.032082996 | 0.020061869 |
| C7H7NO3 | 0.005360810 | 0.005479160 | 0.005306179 | 0.000000000 | 0.008681694 | 0.008341065 | 0.000000000 | 0.008165294 | 0.004348700 | 0.006342343 | 0.000000000 | 0.000000000 |
| C8H11NO2 | 0.005688884 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014942200 | 0.010400354 | 0.000000000 | 0.007975087 | 0.004536792 | 0.004685143 | 0.000000000 | 0.000000000 |
| C9H15NO | 0.008484383 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H6O2S | 0.000000000 | 0.006453601 | 0.000000000 | 0.040618685 | 0.065567562 | 0.063090640 | 0.073066226 | 0.072195323 | 0.051986852 | 0.004923186 | 0.000000000 | 0.000000000 |
| C7H6O4 | 0.000000000 | 0.005141871 | 0.004304081 | 0.009837855 | 0.010101255 | 0.009659045 | 0.007198964 | 0.007896275 | 0.006758526 | 0.003944103 | 0.000000000 | 0.000000000 |
| C4H11O4P | 0.027144499 | 0.011174468 | 0.000000000 | 0.017744911 | 0.032958257 | 0.025227233 | 0.007929231 | 0.012130537 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10OS | 0.005463556 | 0.009383051 | 0.008519571 | 0.038894247 | 0.033516125 | 0.044478005 | 0.047071131 | 0.053392621 | 0.038271812 | 0.006619548 | 0.000000000 | 0.000000000 |
| C8H10O3 | 0.018664043 | 0.025876947 | 0.025394020 | 0.066670515 | 0.071249548 | 0.067279844 | 0.069278549 | 0.072237028 | 0.064435510 | 0.022688194 | 0.027465401 | 0.014043567 |
| C9H14S | 0.000000000 | 0.000000000 | 0.004074803 | 0.015670300 | 0.010493847 | 0.013152895 | 0.012198633 | 0.008958545 | 0.006634510 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H14O2 | 0.071156267 | 0.078752952 | 0.068764474 | 0.274985860 | 0.224466342 | 0.257215590 | 0.509375572 | 0.323454030 | 0.396044667 | 0.062181682 | 0.076086281 | 0.042770272 |
| C10H18O | 0.033553656 | 0.032758387 | 0.027775208 | 0.046532100 | 0.042457507 | 0.040761353 | 0.055222934 | 0.049181838 | 0.072288550 | 0.025031958 | 0.031879465 | 0.017326605 |
| C7H9NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006204135 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H9NO3 | 0.004852011 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004484379 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H13NO2 | 0.008961116 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H17NO | 0.013062612 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H5O3P | 0.000000000 | 0.007083418 | 0.005930281 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005376200 | 0.000000000 | 0.000000000 |
| C7H8S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006577304 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H8O2S | 0.005080551 | 0.008183449 | 0.005937709 | 0.022529422 | 0.027739405 | 0.032612643 | 0.025609550 | 0.029170586 | 0.019605880 | 0.008924240 | 0.016190656 | 0.000000000 |
| C7H8O4 | 0.007163076 | 0.006228191 | 0.006111145 | 0.010560666 | 0.011791169 | 0.012192807 | 0.008912829 | 0.009501920 | 0.005641144 | 0.006286687 | 0.000000000 | 0.000000000 |
| C8H12OS | 0.000000000 | 0.000000000 | 0.004227228 | 0.010635006 | 0.011402479 | 0.013198707 | 0.015104890 | 0.008721953 | 0.009371825 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H12O3 | 0.034578235 | 0.042937005 | 0.037815970 | 0.225460001 | 0.207317954 | 0.184811626 | 0.190847689 | 0.247409905 | 0.181826669 | 0.033851822 | 0.043280121 | 0.018306867 |
| C12H12 | 0.015583579 | 0.024866867 | 0.021569634 | 0.033619481 | 0.029983811 | 0.028671914 | 0.040859158 | 0.054484085 | 0.040870427 | 0.025958517 | 0.036885286 | 0.044570912 |
| C9H16S | 0.011995900 | 0.013881469 | 0.014021446 | 0.063764387 | 0.040252674 | 0.042369578 | 0.035770474 | 0.022618146 | 0.018182824 | 0.010320069 | 0.014089051 | 0.010950720 |
| C9H16O2 | 0.130385808 | 0.136205329 | 0.114257216 | 0.279532540 | 0.255480371 | 0.247668914 | 0.495674663 | 0.381099544 | 0.473909594 | 0.099890937 | 0.144921593 | 0.239058349 |
| C10H20O | 0.010132256 | 0.005545217 | 0.004229204 | 0.010372420 | 0.007134587 | 0.006669580 | 0.000000000 | 0.005819233 | 0.006078540 | 0.004648873 | 0.000000000 | 0.000000000 |
| C6H7NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007085262 | 0.000000000 | 0.000000000 | 0.008573710 | 0.005579404 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H7NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007076883 | 0.000000000 | 0.000000000 | 0.004567461 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H11NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007133713 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H15NO2 | 0.073613385 | 0.022419428 | 0.010877287 | 0.022302064 | 0.019480381 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012081536 | 0.035309967 | 0.000000000 |
| C9H19NO | 0.006893986 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H6O3S | 0.005091478 | 0.006059100 | 0.004593370 | 0.012950224 | 0.041214327 | 0.021604707 | 0.010932970 | 0.049106505 | 0.017928791 | 0.010591710 | 0.000000000 | 0.000000000 |
| C7H10O2S | 0.000000000 | 0.000000000 | 0.006903461 | 0.029464697 | 0.030366957 | 0.033266247 | 0.038719008 | 0.024710242 | 0.023585200 | 0.004374562 | 0.000000000 | 0.000000000 |
| C7H10O4 | 0.014236145 | 0.017030700 | 0.011572064 | 0.096305460 | 0.094629994 | 0.088305335 | 0.036257013 | 0.025356460 | 0.023007489 | 0.013496154 | 0.017905844 | 0.008970849 |
| C6H10N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O | 0.006026913 | 0.008470386 | 0.008123743 | 0.076167022 | 0.063957721 | 0.070096998 | 0.063870126 | 0.053213106 | 0.046772195 | 0.008525799 | 0.000000000 | 0.008393749 |
| C8H14OS | 0.000000000 | 0.000000000 | 0.006355052 | 0.012198710 | 0.013195816 | 0.013854748 | 0.011913887 | 0.010028019 | 0.007523394 | 0.005399542 | 0.000000000 | 0.000000000 |
| C8H14O3 | 0.046530660 | 0.042487625 | 0.035147861 | 0.185210650 | 0.138329495 | 0.133080929 | 0.139895725 | 0.103159115 | 0.104406746 | 0.032215833 | 0.057937967 | 0.026600526 |
| C12H14 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013306245 | 0.010552428 | 0.000000000 | 0.010822879 | 0.013130546 | 0.012804449 | 0.000000000 | 0.000000000 | 0.009655303 |
| C10H9NO | 0.004781688 | 0.005125791 | 0.003995270 | 0.000000000 | 0.008847033 | 0.007846658 | 0.000000000 | 0.008961748 | 0.005739969 | 0.005180555 | 0.000000000 | 0.000000000 |
| C7H13NO3 | 0.023490361 | 0.006933998 | 0.000000000 | 0.019964323 | 0.014251367 | 0.009484591 | 0.006828186 | 0.004403522 | 0.000000000 | 0.005515203 | 0.016641333 | 0.000000000 |
| C8H17NO2 | 0.005071283 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H8O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010430742 | 0.008136354 | 0.009567968 | 0.010469909 | 0.009879772 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8S | 0.005684784 | 0.009984227 | 0.008016535 | 0.022019738 | 0.022482974 | 0.025480687 | 0.053108949 | 0.044813005 | 0.051002894 | 0.007617235 | 0.000000000 | 0.010766175 |
| C10H8O2 | 0.006454603 | 0.007638117 | 0.006245505 | 0.047975751 | 0.045704144 | 0.052820004 | 0.057267186 | 0.052150653 | 0.045428101 | 0.009602354 | 0.000000000 | 0.000000000 |
| C7H12O2S | 0.009185646 | 0.013115026 | 0.012741386 | 0.035636989 | 0.032191398 | 0.034480140 | 0.052598442 | 0.035442924 | 0.033547384 | 0.008610641 | 0.011331817 | 0.000000000 |
| C7H12O4 | 0.050391172 | 0.050889805 | 0.048879267 | 0.051252887 | 0.054784968 | 0.054485946 | 0.113448569 | 0.098587660 | 0.115818102 | 0.036486417 | 0.051844852 | 0.010231221 |
| C6H12N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H12O | 0.016737870 | 0.022006007 | 0.019092750 | 0.052032536 | 0.056014349 | 0.055591705 | 0.062100628 | 0.062288568 | 0.057746199 | 0.019100266 | 0.020830083 | 0.015937141 |
| C8H16OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.015721555 | 0.011507772 | 0.013252922 | 0.012203947 | 0.013129485 | 0.010783090 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H16O3 | 0.020547551 | 0.011624666 | 0.007709539 | 0.080740411 | 0.064299698 | 0.045298983 | 0.039061580 | 0.019416169 | 0.018709559 | 0.008266337 | 0.023056159 | 0.010619162 |
| C12H16 | 0.005872796 | 0.005893117 | 0.000000000 | 0.015196313 | 0.013195593 | 0.014520656 | 0.014698898 | 0.012764698 | 0.016268142 | 0.004603817 | 0.000000000 | 0.013431587 |
| C9H7NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007687138 | 0.010444232 | 0.008535718 | 0.006517688 | 0.013817739 | 0.007278778 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NO | 0.000000000 | 0.000000000 | 0.004453719 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005560733 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.013038747 | 0.015588271 | 0.013373295 | 0.018431875 | 0.026980355 | 0.025574298 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O3 | 0.000000000 | 0.000000000 | 0.005336050 | 0.013111438 | 0.014364076 | 0.013971238 | 0.018063409 | 0.010731234 | 0.010898028 | 0.006804724 | 0.013706224 | 0.000000000 |
| C6H10O3S | 0.007126739 | 0.008780932 | 0.006842252 | 0.015418972 | 0.020704634 | 0.021492290 | 0.030132564 | 0.017327124 | 0.014374118 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10S | 0.063582593 | 0.094469031 | 0.087534917 | 0.306176081 | 0.322014119 | 0.274209791 | 0.295489301 | 0.493334156 | 0.462840243 | 0.081991524 | 0.113995388 | 0.113859440 |
| C10H10O2 | 0.024877180 | 0.030447748 | 0.027390023 | 0.225358030 | 0.175749995 | 0.191049595 | 0.270556407 | 0.179816681 | 0.152296546 | 0.028927215 | 0.044475819 | 0.027118171 |
| C7H14O2S | 0.005980092 | 0.006671712 | 0.006250877 | 0.024274165 | 0.024080260 | 0.026804295 | 0.022935965 | 0.020627687 | 0.015385951 | 0.004770797 | 0.000000000 | 0.000000000 |
| C7H14O4 | 0.000000000 | 0.004590120 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H14O | 0.013193959 | 0.017389647 | 0.018455956 | 0.062307973 | 0.063619012 | 0.063123579 | 0.055769517 | 0.058891495 | 0.056767748 | 0.016657916 | 0.025362734 | 0.019779530 |
| C12H18 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005877997 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010089524 |
| C8H5NO3 | 0.000000000 | 0.000000000 | 0.004130590 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H9NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016357261 | 0.015886180 | 0.005691631 | 0.038629972 | 0.029161759 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H9NO2 | 0.004602910 | 0.000000000 | 0.004294270 | 0.000000000 | 0.009064986 | 0.000000000 | 0.000000000 | 0.008006958 | 0.000000000 | 0.006193093 | 0.000000000 | 0.000000000 |
| C10H13NO | 0.004467313 | 0.000000000 | 0.005556742 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C5H8O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006226549 | 0.000000000 | 0.000000000 | 0.005357363 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8OS | 0.008069283 | 0.015021727 | 0.013127158 | 0.293809095 | 0.325279898 | 0.335977085 | 0.304811317 | 0.274067287 | 0.249666990 | 0.013299652 | 0.022522107 | 0.010930341 |
| C9H8O3 | 0.010851355 | 0.015499449 | 0.014255252 | 0.234186603 | 0.186701943 | 0.216029992 | 0.266868520 | 0.148187799 | 0.129554234 | 0.014980018 | 0.037940235 | 0.016143417 |
| C6H12O3S | 0.005885175 | 0.011134901 | 0.010322571 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010270828 | 0.005753010 | 0.005949068 | 0.005317957 | 0.000000000 | 0.000000000 |
| C10H12S | 0.000000000 | 0.000000000 | 0.004797758 | 0.021741848 | 0.015013614 | 0.021561675 | 0.039771613 | 0.037970291 | 0.043236253 | 0.004495884 | 0.000000000 | 0.000000000 |
| C10H12O2 | 0.050994373 | 0.053449927 | 0.043374620 | 0.228874518 | 0.221930150 | 0.194363154 | 0.235809451 | 0.238907773 | 0.182064426 | 0.048546799 | 0.071857264 | 0.093015039 |
| C11H16O | 0.018103731 | 0.021368234 | 0.021284737 | 0.105876732 | 0.092670624 | 0.091533288 | 0.091251331 | 0.079036099 | 0.079146072 | 0.019519375 | 0.025626780 | 0.012965397 |
| C8H7NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015634104 | 0.010658212 | 0.008417639 | 0.028319205 | 0.019158615 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H7NO3 | 0.004352276 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO2 | 0.047843976 | 0.062870423 | 0.057380803 | 0.028422442 | 0.066978449 | 0.041341595 | 0.005852743 | 0.009994231 | 0.005466436 | 0.035885602 | 0.020361524 | 0.011338155 |
| C10H15NO | 0.010610164 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006748705 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.022199325 | 0.022861212 | 0.033972152 | 0.025202397 | 0.025345681 | 0.019456060 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O4 | 0.027678942 | 0.013346799 | 0.017435629 | 0.016096029 | 0.014906473 | 0.017076594 | 0.011974302 | 0.013434180 | 0.010046147 | 0.030090632 | 0.036885444 | 0.000000000 |
| C5H10O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004215551 | 0.000000000 | 0.000000000 |
| C9H10OS | 0.007646836 | 0.009743242 | 0.009759328 | 0.090629114 | 0.123354549 | 0.162214836 | 0.284984660 | 0.219675129 | 0.241416633 | 0.009068478 | 0.019784125 | 0.014094115 |
| C9H10O3 | 0.059302115 | 0.075030875 | 0.079261736 | 0.240002505 | 0.214741233 | 0.193974727 | 0.243385907 | 0.158361336 | 0.118301057 | 0.064078347 | 0.073830861 | 0.019574284 |
| C6H14O3S | 0.007572551 | 0.013771233 | 0.013782641 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010478608 | 0.000000000 | 0.000000000 |
| C10H14S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007157086 | 0.008245240 | 0.024082599 | 0.015904406 | 0.020569093 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H14O2 | 0.026808911 | 0.028246710 | 0.021901137 | 0.161748016 | 0.153190074 | 0.128233763 | 0.212063355 | 0.165476640 | 0.163526136 | 0.023500561 | 0.033695250 | 0.015769843 |
| C11H18O | 0.021219737 | 0.025775261 | 0.020207459 | 0.039642182 | 0.034643634 | 0.029583333 | 0.046672924 | 0.042585033 | 0.063081854 | 0.023338939 | 0.026676672 | 0.018936821 |
| C8H9NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.024080993 | 0.008507708 | 0.000000000 | 0.021618281 | 0.011446832 | 0.014838220 | 0.018123537 | 0.000000000 |
| C8H9NO3 | 0.000000000 | 0.008128051 | 0.006062223 | 0.000000000 | 0.009072868 | 0.000000000 | 0.000000000 | 0.009180429 | 0.000000000 | 0.005769680 | 0.000000000 | 0.000000000 |
| C9H13NO2 | 0.008101190 | 0.006280392 | 0.004146676 | 0.000000000 | 0.010547624 | 0.000000000 | 0.000000000 | 0.006668554 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H17NO | 0.007793284 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O2S | 0.009023654 | 0.011650230 | 0.011035139 | 0.096352600 | 0.163047104 | 0.150622859 | 0.173430002 | 0.291051317 | 0.228231233 | 0.008634155 | 0.018700934 | 0.000000000 |
| C8H8O4 | 0.011569413 | 0.015227157 | 0.012858525 | 0.047909342 | 0.037563491 | 0.034270675 | 0.051935636 | 0.038562750 | 0.027959539 | 0.011126078 | 0.000000000 | 0.000000000 |
| C9H12OS | 0.000000000 | 0.006530640 | 0.007400900 | 0.016756873 | 0.016196733 | 0.021410862 | 0.024157858 | 0.019641922 | 0.017413778 | 0.007216474 | 0.000000000 | 0.009120450 |
| C9H12O3 | 0.034175045 | 0.037896779 | 0.033501611 | 0.084975222 | 0.083138047 | 0.083342627 | 0.145977492 | 0.111682106 | 0.121670361 | 0.034513053 | 0.039668775 | 0.015313659 |
| C13H12 | 0.000000000 | 0.000000000 | 0.000000000 | 0.024450873 | 0.018128627 | 0.019106834 | 0.038472889 | 0.045935159 | 0.044615417 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H16S | 0.000000000 | 0.006259234 | 0.004925216 | 0.015632046 | 0.011886215 | 0.013249283 | 0.012185476 | 0.007182364 | 0.007440029 | 0.005226749 | 0.000000000 | 0.000000000 |
| C10H16O2 | 0.085677266 | 0.090255601 | 0.074987762 | 0.367389233 | 0.334456565 | 0.340383284 | 0.505758962 | 0.385051029 | 0.432031309 | 0.067958606 | 0.091698998 | 0.120312608 |
| C11H20O | 0.021274470 | 0.024244524 | 0.021523914 | 0.039828955 | 0.034598622 | 0.034845547 | 0.037896537 | 0.043524051 | 0.062149296 | 0.020723370 | 0.028286229 | 0.017469538 |
| C7H7NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006326345 | 0.000000000 | 0.000000000 | 0.004041660 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H7NO4 | 0.000000000 | 0.000000000 | 0.004133873 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H11NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005166346 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H11NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007763020 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11N | 0.007966177 | 0.000000000 | 0.006613893 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006588948 | 0.000000000 | 0.000000000 |
| C9H15NO2 | 0.030960289 | 0.010180210 | 0.004987394 | 0.000000000 | 0.009293952 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006435739 | 0.017338147 | 0.000000000 |
| C10H19NO | 0.032141880 | 0.011204746 | 0.006685792 | 0.009698186 | 0.006358082 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004703203 | 0.020973691 | 0.000000000 |
| C6H3O2SP | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H6O3S | 0.004233094 | 0.005027075 | 0.004276899 | 0.000000000 | 0.014997286 | 0.008668138 | 0.011258265 | 0.015852491 | 0.010948875 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O2S | 0.010558998 | 0.013562248 | 0.014895316 | 0.053408322 | 0.048655212 | 0.072383973 | 0.056185680 | 0.039911781 | 0.035353326 | 0.011857808 | 0.000000000 | 0.000000000 |
| C8H10O4 | 0.013998097 | 0.018552571 | 0.014825014 | 0.081898167 | 0.085990904 | 0.080392151 | 0.080682184 | 0.076037176 | 0.059930755 | 0.015040059 | 0.024148533 | 0.009010182 |
| C12H10O | 0.000000000 | 0.000000000 | 0.000000000 | 0.010140092 | 0.009909399 | 0.012232651 | 0.008730434 | 0.011954405 | 0.009374062 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H14OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006948678 | 0.008196249 | 0.000000000 | 0.005402673 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H14O3 | 0.047087494 | 0.043227793 | 0.035902464 | 0.152924553 | 0.126312228 | 0.141193823 | 0.305111267 | 0.182127290 | 0.219328241 | 0.035436738 | 0.046694832 | 0.023455437 |
| C13H14 | 0.011441634 | 0.018092657 | 0.016390612 | 0.021697602 | 0.016784608 | 0.016153951 | 0.011478595 | 0.014577492 | 0.013269586 | 0.024361193 | 0.039366729 | 0.051430148 |
| C10H18S | 0.008448321 | 0.011503394 | 0.008609620 | 0.039044552 | 0.025302393 | 0.028767787 | 0.025303676 | 0.016088799 | 0.011384666 | 0.007122365 | 0.000000000 | 0.000000000 |
| C10H18O2 | 0.145616271 | 0.123009652 | 0.097812945 | 0.197165743 | 0.159825525 | 0.152572849 | 0.321711277 | 0.245136543 | 0.342731075 | 0.089996221 | 0.136308491 | 0.394516099 |
| C11H22O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H9NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005694297 | 0.000000000 | 0.011358257 | 0.013790994 | 0.000000000 |
| C8H13NO3 | 0.012720436 | 0.006446558 | 0.006390634 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004126130 | 0.004378112 | 0.005190798 | 0.000000000 | 0.000000000 |
| C7H8O3S | 0.024595774 | 0.047603402 | 0.020541412 | 0.025680280 | 0.113668866 | 0.046217703 | 0.031332306 | 0.210867431 | 0.087805770 | 0.044374971 | 0.050944902 | 0.013210820 |
| C11H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006093722 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H8O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005706721 | 0.005075993 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O2 | 0.015477998 | 0.021250308 | 0.012280763 | 0.020229454 | 0.020482076 | 0.021883919 | 0.025687842 | 0.027019880 | 0.029897074 | 0.012592974 | 0.020442041 | 0.018999435 |
| C8H12O2S | 0.012454251 | 0.018672245 | 0.017613402 | 0.046162334 | 0.045795235 | 0.048448716 | 0.042337226 | 0.035382433 | 0.027481765 | 0.013391062 | 0.012359203 | 0.000000000 |
| C8H12O4 | 0.049100886 | 0.052372657 | 0.040072046 | 0.273307927 | 0.244168164 | 0.191173314 | 0.405964036 | 0.261536123 | 0.336099769 | 0.041499196 | 0.052259187 | 0.023018551 |
| C7H12N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O | 0.006278769 | 0.007351284 | 0.008726211 | 0.045858441 | 0.042468732 | 0.053855715 | 0.065195155 | 0.060779312 | 0.059474860 | 0.009961330 | 0.014349608 | 0.011714855 |
| C9H16OS | 0.000000000 | 0.000000000 | 0.004613457 | 0.011536199 | 0.012386600 | 0.010446499 | 0.010518570 | 0.008950261 | 0.007363713 | 0.005658569 | 0.000000000 | 0.009791161 |
| C9H16O3 | 0.075453535 | 0.080182621 | 0.069327355 | 0.197405567 | 0.172740722 | 0.188640347 | 0.251821405 | 0.223652766 | 0.236040628 | 0.058060345 | 0.096332752 | 0.033212594 |
| C13H16 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006035095 | 0.000000000 | 0.006181272 | 0.000000000 | 0.008370654 | 0.000000000 | 0.000000000 | 0.008662412 |
| C10H20O2 | 0.025097122 | 0.020488397 | 0.015535391 | 0.026641744 | 0.022385614 | 0.014920690 | 0.022427196 | 0.027860704 | 0.032260212 | 0.017051531 | 0.045031161 | 0.201118046 |
| C10H7NO2 | 0.004850717 | 0.000000000 | 0.006192410 | 0.000000000 | 0.006706105 | 0.007248143 | 0.000000000 | 0.006041973 | 0.000000000 | 0.011253275 | 0.000000000 | 0.000000000 |
| C7H11NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005549498 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C6H11N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H11NO | 0.005533723 | 0.009325941 | 0.009662626 | 0.013966990 | 0.013004725 | 0.010058824 | 0.007039308 | 0.010350950 | 0.005930566 | 0.010498986 | 0.017486592 | 0.011440816 |
| C6H6O4S | 0.007388995 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007054403 | 0.005535323 | 0.006099925 | 0.000000000 | 0.000000000 |
| C6H7O4P | 0.000000000 | 0.008041467 | 0.006030418 | 0.009404117 | 0.000000000 | 0.006092951 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004700334 | 0.000000000 | 0.000000000 |
| C10H6OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.009096891 | 0.000000000 | 0.007714134 | 0.010716497 | 0.006991875 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H6O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012278530 | 0.000000000 | 0.006895879 | 0.007420088 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H10O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.010221775 | 0.012838981 | 0.012710730 | 0.014636979 | 0.010674607 | 0.009183605 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10S | 0.021113161 | 0.031627039 | 0.033710781 | 0.037456267 | 0.058813844 | 0.047125392 | 0.063228567 | 0.066255874 | 0.076644225 | 0.026077366 | 0.025935153 | 0.020658071 |
| C7H10O5 | 0.007174198 | 0.005543379 | 0.004955477 | 0.014863283 | 0.018252361 | 0.012523205 | 0.016150011 | 0.013598208 | 0.010112204 | 0.006522572 | 0.000000000 | 0.000000000 |
| C11H10O2 | 0.007182264 | 0.010501130 | 0.008063196 | 0.222937469 | 0.062078410 | 0.088549630 | 0.233905328 | 0.069257647 | 0.066264929 | 0.011925658 | 0.014331121 | 0.010907646 |
| C8H14O2S | 0.006250436 | 0.007874210 | 0.008655366 | 0.030353654 | 0.022596498 | 0.028434819 | 0.036195979 | 0.024120026 | 0.026392716 | 0.007595959 | 0.000000000 | 0.000000000 |
| C8H14O4 | 0.190905032 | 0.199983005 | 0.190086906 | 0.363853775 | 0.348924703 | 0.376824080 | 0.127652315 | 0.106654627 | 0.093903933 | 0.149050014 | 0.174369052 | 0.033017472 |
| C7H14N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H14O | 0.016279493 | 0.019652694 | 0.017180102 | 0.056141211 | 0.044505670 | 0.040188924 | 0.054994487 | 0.046591578 | 0.044598957 | 0.016261274 | 0.024487706 | 0.016928381 |
| C9H18OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007266201 | 0.000000000 | 0.006001502 | 0.005288673 | 0.005865040 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H18O3 | 0.032395427 | 0.020852909 | 0.014214587 | 0.041817035 | 0.043307312 | 0.036170246 | 0.030987939 | 0.021264213 | 0.029519594 | 0.013398953 | 0.030677836 | 0.012120749 |
| C13H18 | 0.004600755 | 0.005810917 | 0.004025867 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005248304 | 0.006045392 | 0.004596440 | 0.000000000 | 0.011278153 |
| C10H9NO2 | 0.000000000 | 0.005264740 | 0.000000000 | 0.008668573 | 0.010869307 | 0.006816296 | 0.000000000 | 0.012756301 | 0.006496341 | 0.007742176 | 0.013620794 | 0.000000000 |
| C6H13N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H13NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004049227 | 0.004343596 | 0.000000000 | 0.000000000 |
| C6H8O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006863112 | 0.005814881 | 0.009138036 | 0.006375527 | 0.004703363 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8OS | 0.000000000 | 0.000000000 | 0.003872997 | 0.036137029 | 0.043680973 | 0.047984407 | 0.068384569 | 0.069606254 | 0.064137975 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O3 | 0.007213070 | 0.007398348 | 0.006166681 | 0.022599095 | 0.045840135 | 0.029902727 | 0.035159926 | 0.034231319 | 0.027829986 | 0.008981142 | 0.000000000 | 0.000000000 |
| C7H12O3S | 0.038104009 | 0.047692954 | 0.038367967 | 0.097378285 | 0.091957039 | 0.093480928 | 0.102210332 | 0.067049210 | 0.052844776 | 0.032523843 | 0.036656675 | 0.011609293 |
| C11H12S | 0.046425148 | 0.061771648 | 0.054192453 | 0.132977369 | 0.118362692 | 0.111854906 | 0.128839475 | 0.191580698 | 0.231499463 | 0.055664986 | 0.076606650 | 0.109369718 |
| C7H12O5 | 0.006612451 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007274593 | 0.000000000 | 0.000000000 | 0.005761027 | 0.000000000 | 0.000000000 |
| C11H12O2 | 0.038383310 | 0.044313461 | 0.037536763 | 0.149891571 | 0.126400111 | 0.141237673 | 0.226759587 | 0.151696173 | 0.142824923 | 0.038228328 | 0.048960738 | 0.048905216 |
| C8H16O2S | 0.008145821 | 0.009308236 | 0.009292382 | 0.042909373 | 0.037244908 | 0.038505205 | 0.035316403 | 0.028946989 | 0.020401295 | 0.006377282 | 0.000000000 | 0.000000000 |
| C8H16O4 | 0.024225949 | 0.009372405 | 0.011061083 | 0.028165645 | 0.019116872 | 0.014027713 | 0.011882124 | 0.000000000 | 0.000000000 | 0.013792423 | 0.021457681 | 0.013394736 |
| C12H16O | 0.013140669 | 0.016870715 | 0.017246825 | 0.027878252 | 0.025793195 | 0.023589784 | 0.025324329 | 0.023666130 | 0.026025072 | 0.016818088 | 0.024005171 | 0.016037053 |
| C9H7NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006571583 | 0.004862674 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H7NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006624577 | 0.004736616 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011873332 | 0.011683910 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NO2 | 0.004937438 | 0.000000000 | 0.005581346 | 0.000000000 | 0.009348693 | 0.000000000 | 0.000000000 | 0.006922517 | 0.000000000 | 0.004897890 | 0.000000000 | 0.000000000 |
| C11H15NO | 0.004795136 | 0.000000000 | 0.005068493 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O2S | 0.000000000 | 0.000000000 | 0.004665507 | 0.040803927 | 0.089179920 | 0.052750160 | 0.115040580 | 0.112479901 | 0.119090757 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O4 | 0.000000000 | 0.000000000 | 0.005649079 | 0.009506106 | 0.007483605 | 0.000000000 | 0.005693599 | 0.005003374 | 0.000000000 | 0.005800115 | 0.000000000 | 0.000000000 |
| C6H10O4S | 0.000000000 | 0.000000000 | 0.005133473 | 0.008311875 | 0.012181561 | 0.011506186 | 0.021023466 | 0.021089430 | 0.014951699 | 0.004114288 | 0.000000000 | 0.000000000 |
| C10H10OS | 0.005198576 | 0.009554423 | 0.007988856 | 0.140115324 | 0.153510139 | 0.176876738 | 0.275540001 | 0.252812344 | 0.241945250 | 0.007233821 | 0.017003985 | 0.012063038 |
| C10H10O3 | 0.017535270 | 0.023706156 | 0.021785288 | 0.133349677 | 0.093239996 | 0.111096800 | 0.191519092 | 0.116287734 | 0.097627163 | 0.022314967 | 0.026589147 | 0.015501868 |
| C7H14O3S | 0.016650884 | 0.027843695 | 0.022810256 | 0.009692802 | 0.012300401 | 0.010673252 | 0.008873028 | 0.005457876 | 0.000000000 | 0.016128958 | 0.021889440 | 0.000000000 |
| C14H10 | 0.000000000 | 0.000000000 | 0.004450711 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004188822 | 0.000000000 | 0.000000000 |
| C11H14S | 0.005553967 | 0.000000000 | 0.008857599 | 0.015710239 | 0.011486862 | 0.011231012 | 0.025959858 | 0.028604294 | 0.033242817 | 0.000000000 | 0.000000000 | 0.009336518 |
| C11H14O2 | 0.089478688 | 0.080186731 | 0.061430877 | 0.171115913 | 0.124273894 | 0.119514169 | 0.207954419 | 0.162815084 | 0.166222018 | 0.066159219 | 0.101027547 | 0.213054535 |
| C12H18O | 0.010109322 | 0.012677382 | 0.013254361 | 0.026162738 | 0.023439705 | 0.025052939 | 0.022905043 | 0.019748433 | 0.024208280 | 0.013899749 | 0.000000000 | 0.009260267 |
| C8H5NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008026835 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H5N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007742220 |
| C9H9NOS | 0.000000000 | 0.000000000 | 0.004014575 | 0.020689835 | 0.016888266 | 0.016039722 | 0.007895996 | 0.018692846 | 0.013578212 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H9NO3 | 0.000000000 | 0.000000000 | 0.005830150 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005529744 | 0.000000000 | 0.006266322 | 0.000000000 | 0.000000000 |
| C10H13NO2 | 0.009452962 | 0.011375245 | 0.011972159 | 0.000000000 | 0.010578754 | 0.008136337 | 0.000000000 | 0.007206968 | 0.000000000 | 0.008222835 | 0.000000000 | 0.000000000 |
| C11H17NO | 0.022004501 | 0.009312425 | 0.006698916 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005853856 | 0.000000000 | 0.000000000 |
| C5H8O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012482150 | 0.009969614 | 0.007511174 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O2S | 0.000000000 | 0.000000000 | 0.003554246 | 0.059907491 | 0.042145597 | 0.059747009 | 0.071780144 | 0.050055671 | 0.044256552 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O4 | 0.011646702 | 0.015110802 | 0.012724269 | 0.073967424 | 0.067487183 | 0.057477072 | 0.106841025 | 0.076265524 | 0.061999305 | 0.012225668 | 0.020316716 | 0.000000000 |
| C6H12O4S | 0.006519399 | 0.006131006 | 0.006096363 | 0.000000000 | 0.007059483 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004930927 | 0.000000000 | 0.000000000 |
| C10H12OS | 0.009775893 | 0.011150940 | 0.009288455 | 0.034694830 | 0.043881219 | 0.044958245 | 0.085646427 | 0.077627445 | 0.081073747 | 0.009760705 | 0.016490791 | 0.009989866 |
| C10H12O3 | 0.059031331 | 0.072750123 | 0.074256643 | 0.617573424 | 0.450172770 | 0.467004103 | 0.352085965 | 0.235692526 | 0.198575379 | 0.056967347 | 0.098250139 | 0.034340560 |
| C7H16O3S | 0.014382247 | 0.019901769 | 0.019592816 | 0.000000000 | 0.000000000 | 0.006319725 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014660362 | 0.019814436 | 0.000000000 |
| C14H12 | 0.004576107 | 0.000000000 | 0.005008928 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007704897 | 0.000000000 | 0.007917560 |
| C11H16S | 0.004204183 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009254450 | 0.004801708 | 0.007894744 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H16O2 | 0.049349629 | 0.035291224 | 0.029789377 | 0.097303801 | 0.095370208 | 0.081988750 | 0.151634675 | 0.125072014 | 0.137709561 | 0.028404642 | 0.042548825 | 0.045800120 |
| C12H20O | 0.020197062 | 0.020557196 | 0.017649172 | 0.029257296 | 0.026825083 | 0.025161994 | 0.033475146 | 0.029918928 | 0.048062380 | 0.016426637 | 0.023440527 | 0.018210206 |
| C8H7NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009991145 | 0.005177302 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H7NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005730843 | 0.004571853 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014555557 | 0.005531540 | 0.000000000 | 0.013253503 | 0.005794209 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO3 | 0.008931623 | 0.010713492 | 0.008496917 | 0.010034255 | 0.017055640 | 0.010885555 | 0.000000000 | 0.011193277 | 0.007123458 | 0.009677191 | 0.011726197 | 0.000000000 |
| C10H15NO2 | 0.010301198 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H19NO | 0.009524252 | 0.000000000 | 0.003856490 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004506820 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.093936546 | 0.074906779 | 0.131754213 | 0.220440514 | 0.082854067 | 0.095971612 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O5 | 0.004291967 | 0.005190697 | 0.004290620 | 0.000000000 | 0.010694129 | 0.009461676 | 0.005964461 | 0.007021342 | 0.006359508 | 0.005812838 | 0.000000000 | 0.000000000 |
| C9H10O2S | 0.014587766 | 0.021004801 | 0.019665907 | 0.287855050 | 0.333808163 | 0.395926261 | 0.334433645 | 0.284277956 | 0.267589276 | 0.015272866 | 0.030105384 | 0.009748232 |
| C9H10O4 | 0.056268613 | 0.063244811 | 0.052971073 | 0.373535980 | 0.390090625 | 0.339031274 | 0.187339417 | 0.136802463 | 0.115202749 | 0.045256674 | 0.049770887 | 0.020950217 |
| C13H10O | 0.004563230 | 0.000000000 | 0.005185936 | 0.016755768 | 0.010698057 | 0.010416471 | 0.006665434 | 0.008511837 | 0.007288948 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H14OS | 0.000000000 | 0.007442353 | 0.005961694 | 0.011032371 | 0.008821722 | 0.012557344 | 0.012965564 | 0.007401813 | 0.007649615 | 0.004917133 | 0.000000000 | 0.000000000 |
| C10H14O3 | 0.026815283 | 0.031486870 | 0.027328191 | 0.068605032 | 0.064441724 | 0.064483778 | 0.117003629 | 0.094124640 | 0.107082107 | 0.028001873 | 0.036057502 | 0.015993162 |
| C14H14 | 0.000000000 | 0.005229507 | 0.005241426 | 0.018751160 | 0.013761193 | 0.014118579 | 0.026115475 | 0.020359099 | 0.023682080 | 0.007888090 | 0.000000000 | 0.013576636 |
| C11H18S | 0.006087666 | 0.008912037 | 0.006196866 | 0.018242418 | 0.011259840 | 0.012440472 | 0.013037645 | 0.008744640 | 0.007954816 | 0.008495918 | 0.000000000 | 0.017296848 |
| C11H18O2 | 0.141470728 | 0.139220800 | 0.111619186 | 0.335214877 | 0.311865536 | 0.288527307 | 0.379886045 | 0.315963302 | 0.356420549 | 0.101883805 | 0.140670261 | 0.371126876 |
| C12H22O | 0.018372470 | 0.018924289 | 0.014456785 | 0.017135798 | 0.018619334 | 0.014220929 | 0.014336622 | 0.019983918 | 0.030575545 | 0.013036965 | 0.018687258 | 0.012896259 |
| C8H9NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008013524 | 0.000000000 | 0.006194312 | 0.000000000 | 0.005568554 | 0.000000000 | 0.000000000 |
| C8H9NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007616644 | 0.007788250 | 0.000000000 | 0.004491067 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008208105 | 0.000000000 | 0.000000000 | 0.007027292 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H13NO3 | 0.006712306 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009805531 | 0.000000000 | 0.000000000 | 0.004798565 | 0.004304357 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H17NO2 | 0.131016358 | 0.036249027 | 0.020029091 | 0.028560716 | 0.025071978 | 0.008511690 | 0.000000000 | 0.000000000 | 0.000000000 | 0.018139317 | 0.061343566 | 0.000000000 |
| C11H21NO | 0.010129072 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010820143 | 0.011986336 | 0.012797973 | 0.036986139 | 0.019516196 | 0.025491584 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O3S | 0.014420982 | 0.018606003 | 0.020573406 | 0.030940446 | 0.067016191 | 0.038571225 | 0.031222273 | 0.074795208 | 0.034160605 | 0.018877416 | 0.017238383 | 0.009593332 |
| C12H8S | 0.000000000 | 0.000000000 | 0.005877025 | 0.011044830 | 0.000000000 | 0.011414602 | 0.007270274 | 0.007130473 | 0.007801086 | 0.005513693 | 0.000000000 | 0.010459016 |
| C8H8O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008683087 | 0.000000000 | 0.008709188 | 0.009897725 | 0.004108763 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010146288 | 0.000000000 | 0.000000000 | 0.007954750 | 0.007467490 | 0.007188295 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O2S | 0.033082679 | 0.038642296 | 0.039460309 | 0.122310112 | 0.181368371 | 0.200809659 | 0.062199049 | 0.066707151 | 0.054573272 | 0.025208253 | 0.028190169 | 0.000000000 |
| C9H12O4 | 0.026637759 | 0.026821902 | 0.023138983 | 0.106347382 | 0.100560510 | 0.108803465 | 0.162572934 | 0.128576833 | 0.121862544 | 0.024689677 | 0.032689926 | 0.000000000 |
| C13H12O | 0.008864964 | 0.013755903 | 0.012420595 | 0.027105115 | 0.022836403 | 0.030728750 | 0.018319475 | 0.017601940 | 0.015288587 | 0.014607536 | 0.017757529 | 0.011971810 |
| C10H16OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007327769 | 0.008523968 | 0.005077225 | 0.004900305 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H16O3 | 0.066710968 | 0.056787496 | 0.051284956 | 0.179051979 | 0.140313643 | 0.160593529 | 0.315595773 | 0.231137109 | 0.293023251 | 0.048416772 | 0.066887916 | 0.033347140 |
| C9H16N2O2 | 0.005092911 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H16 | 0.009644649 | 0.013290065 | 0.011748767 | 0.010375980 | 0.008971156 | 0.006571557 | 0.000000000 | 0.005856352 | 0.006275259 | 0.018961677 | 0.029314038 | 0.040571359 |
| C11H20S | 0.005112609 | 0.006321790 | 0.006179420 | 0.020385745 | 0.010593103 | 0.009663520 | 0.011913368 | 0.007088850 | 0.005414400 | 0.005389163 | 0.000000000 | 0.010820823 |
| C11H20O2 | 0.168340476 | 0.146581567 | 0.111470497 | 0.174057061 | 0.127689389 | 0.112739423 | 0.194422558 | 0.168266867 | 0.256414995 | 0.108862570 | 0.174119560 | 0.652618856 |
| C12H11NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007616803 | 0.000000000 | 0.005487911 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H15NO3 | 0.047154943 | 0.021058636 | 0.010411962 | 0.017175998 | 0.017008354 | 0.007804669 | 0.000000000 | 0.004910330 | 0.000000000 | 0.009176562 | 0.022944851 | 0.000000000 |
| C7H6O4S | 0.000000000 | 0.000000000 | 0.005646316 | 0.000000000 | 0.013680246 | 0.009317187 | 0.004923242 | 0.020841357 | 0.009964823 | 0.006541338 | 0.000000000 | 0.000000000 |
| C8H10O3S | 0.011721062 | 0.019136733 | 0.018146711 | 0.019056982 | 0.059859172 | 0.029045367 | 0.024941439 | 0.129745631 | 0.055984685 | 0.016447567 | 0.021282455 | 0.012095175 |
| C12H10S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006996140 | 0.008004906 | 0.009702909 | 0.007082806 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O5 | 0.009159214 | 0.006666888 | 0.007710347 | 0.021369494 | 0.019964047 | 0.022552147 | 0.032743281 | 0.019489909 | 0.018423345 | 0.007411022 | 0.000000000 | 0.000000000 |
| C12H10O2 | 0.011563546 | 0.011692747 | 0.010128247 | 0.035971209 | 0.032647760 | 0.035679902 | 0.050664848 | 0.048892609 | 0.042556882 | 0.011719689 | 0.022065806 | 0.017680302 |
| C9H14O2S | 0.027734967 | 0.033227290 | 0.032443141 | 0.076221682 | 0.057700065 | 0.062091260 | 0.054674864 | 0.039018757 | 0.031002559 | 0.026186266 | 0.031098595 | 0.011276460 |
| C9H14O4 | 0.337600348 | 0.367325577 | 0.332089541 | 1.005444584 | 0.858454320 | 0.906192706 | 1.745567053 | 1.270471244 | 1.384484110 | 0.271067422 | 0.288440138 | 0.086043141 |
| C13H14O | 0.007630372 | 0.010928834 | 0.008015842 | 0.018948060 | 0.019977018 | 0.021529262 | 0.026559507 | 0.022602887 | 0.026478770 | 0.009982110 | 0.013990175 | 0.011887000 |
| C10H18OS | 0.000000000 | 0.000000000 | 0.004797200 | 0.014714564 | 0.010152387 | 0.010250128 | 0.010360945 | 0.007858119 | 0.007166077 | 0.007063373 | 0.012842631 | 0.013483196 |
| C10H18O3 | 0.117298140 | 0.138939842 | 0.140220882 | 0.250543556 | 0.263397613 | 0.251939358 | 0.346294358 | 0.317856192 | 0.372716873 | 0.110157099 | 0.122545530 | 0.054513623 |
| C14H18 | 0.004852366 | 0.006224784 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005077442 | 0.000000000 | 0.013012649 |
| C11H22O2 | 0.023220003 | 0.021612258 | 0.016968711 | 0.018234570 | 0.013512557 | 0.011224415 | 0.011388201 | 0.017103173 | 0.019291630 | 0.018734160 | 0.053702159 | 0.289223871 |
| C7H9NO3S | 0.000000000 | 0.008021906 | 0.008057102 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.042094819 | 0.041742680 | 0.010314303 |
| C11H9NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006267795 | 0.007028888 | 0.000000000 | 0.005275724 | 0.004847741 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H13NO4 | 0.006471969 | 0.004633060 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H13NO | 0.006591034 | 0.007895629 | 0.008129023 | 0.013037728 | 0.009688638 | 0.007895990 | 0.000000000 | 0.008773466 | 0.005580520 | 0.012469709 | 0.021558326 | 0.021551332 |
| C7H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006010376 | 0.004362913 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H8O4S | 0.005181952 | 0.006029996 | 0.005186008 | 0.000000000 | 0.015472396 | 0.010520096 | 0.010165082 | 0.026978435 | 0.016126959 | 0.004667167 | 0.014567707 | 0.013581151 |
| C11H8OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.012505508 | 0.019638328 | 0.022003839 | 0.023337622 | 0.023886353 | 0.025494460 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O3 | 0.005403077 | 0.006482076 | 0.004909478 | 0.020513340 | 0.017603172 | 0.020932207 | 0.019665223 | 0.028389011 | 0.025866561 | 0.006905284 | 0.012256010 | 0.000000000 |
| C8H12O3S | 0.000000000 | 0.006444572 | 0.005505555 | 0.013817046 | 0.014870666 | 0.019729037 | 0.021316167 | 0.013804058 | 0.011609703 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8N2O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005218109 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12S | 0.017675325 | 0.025917267 | 0.026957204 | 0.079078721 | 0.065502162 | 0.080379695 | 0.075311394 | 0.083094771 | 0.105571836 | 0.022045786 | 0.022522093 | 0.018287128 |
| C8H12O5 | 0.045617706 | 0.050624055 | 0.045675338 | 0.363078408 | 0.352327789 | 0.276920698 | 0.426463510 | 0.266660918 | 0.222211780 | 0.039078361 | 0.044811218 | 0.000000000 |
| C12H12O2 | 0.010449850 | 0.014878585 | 0.014460751 | 0.069590948 | 0.051596863 | 0.054699030 | 0.110438148 | 0.074770451 | 0.072854180 | 0.017233710 | 0.021915022 | 0.012579651 |
| C9H16O2S | 0.005369095 | 0.006798940 | 0.007548481 | 0.020850360 | 0.018008703 | 0.017369007 | 0.025095660 | 0.018890407 | 0.018914412 | 0.005695137 | 0.000000000 | 0.000000000 |
| C8H16N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005725466 | 0.000000000 | 0.000000000 |
| C13H16O | 0.014979238 | 0.016055131 | 0.014917012 | 0.035769243 | 0.030387678 | 0.027406040 | 0.038735502 | 0.031092043 | 0.036076200 | 0.015395109 | 0.024879200 | 0.019495474 |
| C10H20O3 | 0.021431352 | 0.017152702 | 0.013567072 | 0.019195357 | 0.021751116 | 0.020206509 | 0.017310355 | 0.019071111 | 0.026055939 | 0.015176240 | 0.036935652 | 0.041753161 |
| C14H20 | 0.000000000 | 0.004958231 | 0.004056458 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004417242 | 0.000000000 | 0.016414427 |
| C10H7NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005528266 | 0.004149901 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H11NO5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H11NO2 | 0.000000000 | 0.006492863 | 0.006719525 | 0.010901472 | 0.010313397 | 0.008620305 | 0.000000000 | 0.010973332 | 0.005818615 | 0.006654776 | 0.000000000 | 0.000000000 |
| C8H15NO4 | 0.030036139 | 0.008329704 | 0.004541487 | 0.000000000 | 0.007010134 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005218573 | 0.015831723 | 0.000000000 |
| C10H6O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006400412 | 0.005533038 | 0.005085492 | 0.005416113 | 0.004310561 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H6O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008130850 | 0.007477863 | 0.007126541 | 0.008064384 | 0.006834411 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H10O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.017136644 | 0.014390057 | 0.017604980 | 0.021083370 | 0.016279282 | 0.015273314 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10OS | 0.005889910 | 0.007287289 | 0.008374853 | 0.054608848 | 0.061113911 | 0.066411446 | 0.071426769 | 0.083026833 | 0.083274123 | 0.007744053 | 0.012475526 | 0.008897136 |
| C11H10O3 | 0.010562504 | 0.014197349 | 0.013702816 | 0.042775554 | 0.043313884 | 0.053571124 | 0.047103207 | 0.052105908 | 0.044759718 | 0.016181218 | 0.021759521 | 0.000000000 |
| C8H14O3S | 0.080866019 | 0.092056494 | 0.072950869 | 0.226763536 | 0.179598417 | 0.192476726 | 0.189388731 | 0.118519921 | 0.090219790 | 0.065143978 | 0.073946832 | 0.033984727 |
| C12H14S | 0.039897722 | 0.047238446 | 0.041976898 | 0.059696369 | 0.047704515 | 0.041217919 | 0.063357370 | 0.068963047 | 0.103562761 | 0.044568856 | 0.058385907 | 0.096821298 |
| C8H14O5 | 0.013505710 | 0.010032194 | 0.006785871 | 0.017827167 | 0.012081177 | 0.013194219 | 0.019918295 | 0.012120631 | 0.015723779 | 0.009193772 | 0.015821830 | 0.000000000 |
| C7H14N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H14O2 | 0.053324686 | 0.059445777 | 0.048651694 | 0.117244258 | 0.095092128 | 0.092910543 | 0.156287618 | 0.112683186 | 0.136280449 | 0.051377858 | 0.064233206 | 0.092357075 |
| C9H18O2S | 0.006500438 | 0.010391482 | 0.007243683 | 0.032964065 | 0.037136085 | 0.036337053 | 0.018283841 | 0.027410878 | 0.014640167 | 0.005620077 | 0.000000000 | 0.000000000 |
| C9H18O4 | 0.012286573 | 0.007191617 | 0.000000000 | 0.011419981 | 0.007987623 | 0.008118524 | 0.011352792 | 0.005332820 | 0.007857726 | 0.004486101 | 0.000000000 | 0.000000000 |
| C13H18O | 0.015460717 | 0.014606035 | 0.016965262 | 0.014949847 | 0.012069618 | 0.015344888 | 0.014146230 | 0.012165838 | 0.012179186 | 0.015386556 | 0.022931029 | 0.019116710 |
| C10H9NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.009544910 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009175221 | 0.005673225 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H9NO3 | 0.005470066 | 0.006979282 | 0.006667837 | 0.000000000 | 0.006310001 | 0.006554732 | 0.000000000 | 0.007055500 | 0.000000000 | 0.007371061 | 0.000000000 | 0.000000000 |
| C11H13NO2 | 0.000000000 | 0.007551781 | 0.007003791 | 0.000000000 | 0.008259994 | 0.006661939 | 0.000000000 | 0.006475763 | 0.000000000 | 0.007531043 | 0.000000000 | 0.008354899 |
| C12H17NO | 0.000000000 | 0.000000000 | 0.004821858 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O2S | 0.027195711 | 0.033556357 | 0.028010039 | 0.109714991 | 0.137533606 | 0.106883183 | 0.255592936 | 0.204405275 | 0.205921219 | 0.025914707 | 0.037267431 | 0.016407144 |
| C10H8O4 | 0.015222467 | 0.018277488 | 0.013266787 | 0.072622747 | 0.050341282 | 0.051225491 | 0.070144189 | 0.035354604 | 0.026985855 | 0.014547885 | 0.013583192 | 0.000000000 |
| C7H12O4S | 0.013865452 | 0.018241960 | 0.019275966 | 0.052193593 | 0.085507486 | 0.066949553 | 0.106950694 | 0.118882835 | 0.079424217 | 0.013010646 | 0.012423746 | 0.000000000 |
| C11H12OS | 0.006992658 | 0.009094385 | 0.008054472 | 0.051810402 | 0.060982076 | 0.071713553 | 0.117951489 | 0.124525055 | 0.120902304 | 0.008484803 | 0.016359253 | 0.009803032 |
| C11H12O3 | 0.025598846 | 0.032206180 | 0.031578711 | 0.131914942 | 0.113690078 | 0.125491027 | 0.153358203 | 0.142174325 | 0.131738577 | 0.031639419 | 0.039810247 | 0.016648876 |
| C8H16O3S | 0.034077522 | 0.050035498 | 0.047290698 | 0.013208438 | 0.011078949 | 0.014131760 | 0.008319402 | 0.005368272 | 0.000000000 | 0.034138072 | 0.037105657 | 0.008012911 |
| C15H12 | 0.023536480 | 0.033516943 | 0.036878548 | 0.010008967 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.040846047 | 0.046790808 | 0.041160940 |
| C12H16S | 0.005700122 | 0.007781697 | 0.008184183 | 0.008824648 | 0.009153556 | 0.007700646 | 0.012165779 | 0.010221830 | 0.013440573 | 0.005600609 | 0.000000000 | 0.000000000 |
| C12H16O2 | 0.113980435 | 0.102023216 | 0.074539824 | 0.169575477 | 0.129372348 | 0.113839284 | 0.189687154 | 0.133085680 | 0.163150701 | 0.081659586 | 0.125757486 | 0.393270776 |
| C13H20O | 0.010177610 | 0.011386301 | 0.010327903 | 0.016284148 | 0.013041897 | 0.012599864 | 0.012052613 | 0.010690900 | 0.014377364 | 0.007989860 | 0.014521460 | 0.009978042 |
| C9H7NO2S | 0.000000000 | 0.000000000 | 0.004075636 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004865093 | 0.012265454 | 0.005898345 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H7NO4 | 0.000000000 | 0.000000000 | 0.003894795 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005822448 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NOS | 0.013135916 | 0.016497880 | 0.019323598 | 0.164529064 | 0.101976119 | 0.104039637 | 0.050572705 | 0.040156868 | 0.030087386 | 0.011231763 | 0.000000000 | 0.000000000 |
| C10H11NO3 | 0.005405588 | 0.005776028 | 0.007989610 | 0.000000000 | 0.008301190 | 0.007709089 | 0.000000000 | 0.007665575 | 0.000000000 | 0.008731444 | 0.000000000 | 0.000000000 |
| C9H6O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.024067235 | 0.014231432 | 0.011486311 | 0.021688473 | 0.015952040 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O5 | 0.000000000 | 0.005051480 | 0.004552164 | 0.000000000 | 0.000000000 | 0.006267128 | 0.000000000 | 0.009865571 | 0.011346644 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006138271 | 0.007586455 | 0.007181866 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O2S | 0.005148653 | 0.007116318 | 0.008323148 | 0.033861893 | 0.038401333 | 0.041962909 | 0.074032689 | 0.065742158 | 0.065012257 | 0.006350604 | 0.000000000 | 0.000000000 |
| C7H6N4O3 | 0.000000000 | 0.005268150 | 0.004418592 | 0.017245037 | 0.012016356 | 0.012441333 | 0.000000000 | 0.005820679 | 0.005057877 | 0.004905129 | 0.000000000 | 0.000000000 |
| C10H10O4 | 0.015872327 | 0.018765004 | 0.018902501 | 0.080356102 | 0.071769990 | 0.082218082 | 0.132544340 | 0.099623184 | 0.093460720 | 0.016177687 | 0.021287035 | 0.008805943 |
| C7H14O4S | 0.031293631 | 0.045757703 | 0.044442288 | 0.024869659 | 0.024563189 | 0.025444878 | 0.011177589 | 0.010054952 | 0.005599705 | 0.033216998 | 0.033662481 | 0.009130273 |
| C14H10O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005843953 | 0.006530323 | 0.007002390 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H14OS | 0.009097999 | 0.010961737 | 0.011293390 | 0.023065945 | 0.026402100 | 0.026526290 | 0.039021268 | 0.036030292 | 0.039024847 | 0.011399287 | 0.013887524 | 0.009646992 |
| C11H14O3 | 0.047728246 | 0.054348653 | 0.055554447 | 0.397285649 | 0.316466465 | 0.376221010 | 0.327330611 | 0.269445187 | 0.250260121 | 0.050586344 | 0.073707740 | 0.025529448 |
| C8H18O3S | 0.036385162 | 0.042015005 | 0.042842368 | 0.000000000 | 0.007735579 | 0.006768947 | 0.000000000 | 0.000000000 | 0.000000000 | 0.032072094 | 0.029800890 | 0.000000000 |
| C15H14 | 0.000000000 | 0.005453276 | 0.006679505 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005758560 | 0.000000000 | 0.004779680 | 0.006619216 | 0.000000000 | 0.012244827 |
| C12H18S | 0.005965972 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006701720 | 0.000000000 | 0.010807624 |
| C12H18O2 | 0.075083451 | 0.069840766 | 0.052129589 | 0.095499691 | 0.070551041 | 0.071696492 | 0.106837499 | 0.084892370 | 0.107117073 | 0.056284106 | 0.077498065 | 0.215568576 |
| C13H22O | 0.029589397 | 0.041730812 | 0.049817192 | 0.028754797 | 0.016722212 | 0.022005973 | 0.014594855 | 0.016310450 | 0.023612624 | 0.035345316 | 0.027148821 | 0.018235402 |
| C9H9NO2S | 0.000000000 | 0.005828246 | 0.005995867 | 0.011807263 | 0.023510689 | 0.013346113 | 0.000000000 | 0.016894858 | 0.008243457 | 0.006896113 | 0.000000000 | 0.000000000 |
| C9H9NO4 | 0.007715010 | 0.011106782 | 0.009669197 | 0.000000000 | 0.007756171 | 0.008382436 | 0.000000000 | 0.006747420 | 0.000000000 | 0.008131983 | 0.000000000 | 0.000000000 |
| C13H9NO | 0.000000000 | 0.000000000 | 0.004454536 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007453455 | 0.000000000 | 0.009937815 |
| C10H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007443688 | 0.000000000 | 0.000000000 | 0.006360923 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H13NO3 | 0.024069068 | 0.021474349 | 0.023631265 | 0.000000000 | 0.014936157 | 0.008833061 | 0.006166117 | 0.011000817 | 0.006931399 | 0.012713433 | 0.014853960 | 0.000000000 |
| C11H17NO2 | 0.019915698 | 0.007637519 | 0.004388177 | 0.000000000 | 0.006449412 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006466839 | 0.000000000 | 0.000000000 |
| C9H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007266311 | 0.006825529 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O3S | 0.006565651 | 0.008224674 | 0.007112223 | 0.198494119 | 0.224359119 | 0.332967554 | 0.610059187 | 0.376287364 | 0.446045493 | 0.006435598 | 0.015117899 | 0.000000000 |
| C9H8O5 | 0.006272065 | 0.006184546 | 0.005928292 | 0.008710090 | 0.014382101 | 0.012326815 | 0.015239030 | 0.015801318 | 0.011710568 | 0.005264581 | 0.000000000 | 0.000000000 |
| C13H8O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006082081 | 0.004411608 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O2S | 0.007833189 | 0.011589421 | 0.008305962 | 0.093652683 | 0.136608955 | 0.161074588 | 0.220453798 | 0.212357754 | 0.211042280 | 0.008611003 | 0.015201307 | 0.000000000 |
| C10H12O4 | 0.016225049 | 0.021139728 | 0.021288361 | 0.076989596 | 0.072785005 | 0.099191572 | 0.092528596 | 0.078890489 | 0.074309585 | 0.020126022 | 0.022962780 | 0.000000000 |
| C7H16O4S | 0.019934471 | 0.031230901 | 0.036869101 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.020408891 | 0.018408301 | 0.008279546 |
| C14H12O | 0.000000000 | 0.006753113 | 0.005870131 | 0.008675484 | 0.010779284 | 0.008388556 | 0.012089534 | 0.010893965 | 0.009935030 | 0.007868508 | 0.000000000 | 0.000000000 |
| C11H16OS | 0.000000000 | 0.000000000 | 0.005352963 | 0.000000000 | 0.006581737 | 0.006610592 | 0.006043638 | 0.004027956 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H16O3 | 0.026562045 | 0.027693497 | 0.025025767 | 0.062282241 | 0.050997296 | 0.055400011 | 0.100631002 | 0.077125598 | 0.099703015 | 0.027204438 | 0.032695603 | 0.017567399 |
| C15H16 | 0.005605275 | 0.008363947 | 0.006115464 | 0.013815866 | 0.009193547 | 0.008999929 | 0.021105928 | 0.012733619 | 0.015082283 | 0.008594225 | 0.011673103 | 0.016559470 |
| C12H20S | 0.007868167 | 0.008182341 | 0.007043561 | 0.014010782 | 0.000000000 | 0.005703384 | 0.006591245 | 0.000000000 | 0.000000000 | 0.009015158 | 0.000000000 | 0.019014177 |
| C12H20O2 | 0.341791067 | 0.324253918 | 0.242949883 | 0.328997813 | 0.235475272 | 0.218320411 | 0.292222448 | 0.230201657 | 0.250470670 | 0.230665938 | 0.332115583 | 1.041012770 |
| C13H24O | 0.006361712 | 0.008127122 | 0.006948294 | 0.000000000 | 0.007106790 | 0.007076505 | 0.005928455 | 0.007364195 | 0.011932635 | 0.005768980 | 0.000000000 | 0.010324231 |
| C8H7NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005822339 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO2S | 0.005634775 | 0.009063663 | 0.006894295 | 0.010839172 | 0.014065751 | 0.013260877 | 0.004950528 | 0.006890706 | 0.000000000 | 0.009154008 | 0.000000000 | 0.000000000 |
| C9H11NO4 | 0.007664947 | 0.007352208 | 0.007083366 | 0.000000000 | 0.012746011 | 0.010245658 | 0.005191395 | 0.009423459 | 0.004718437 | 0.007295189 | 0.000000000 | 0.000000000 |
| C13H11NO | 0.009075686 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H15NO3 | 0.010425561 | 0.005337761 | 0.000000000 | 0.000000000 | 0.010245993 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011215690 | 0.007998769 | 0.010271793 | 0.021577240 | 0.012067955 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.020770309 | 0.011640865 | 0.014313558 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O3S | 0.019571080 | 0.024134285 | 0.027502216 | 0.052427488 | 0.090267375 | 0.073123602 | 0.075881265 | 0.090246080 | 0.063226885 | 0.020164738 | 0.020295910 | 0.012948699 |
| C6H14O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004140719 | 0.000000000 | 0.000000000 |
| C13H10S | 0.013598787 | 0.017517399 | 0.018480651 | 0.014515960 | 0.011574756 | 0.015188646 | 0.013841337 | 0.016237344 | 0.020577074 | 0.025865848 | 0.026466999 | 0.027452767 |
| C9H10O5 | 0.006555907 | 0.007170595 | 0.005300618 | 0.014005565 | 0.018710792 | 0.016876501 | 0.016743864 | 0.021664144 | 0.019917761 | 0.006986229 | 0.000000000 | 0.000000000 |
| C13H10O2 | 0.007645294 | 0.005657527 | 0.004862363 | 0.057528225 | 0.032791756 | 0.046312857 | 0.065144012 | 0.050625614 | 0.061072714 | 0.008760889 | 0.000000000 | 0.000000000 |
| C10H14O2S | 0.007506552 | 0.009520681 | 0.007424782 | 0.029494294 | 0.025859762 | 0.026750336 | 0.029556168 | 0.023561108 | 0.020032014 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H14O4 | 0.036446121 | 0.036807521 | 0.031308385 | 0.154494095 | 0.139276982 | 0.153517067 | 0.311195877 | 0.199018356 | 0.227546406 | 0.031253806 | 0.041347133 | 0.019122104 |
| C14H14O | 0.016291389 | 0.022211663 | 0.023996138 | 0.024241702 | 0.019279057 | 0.022030236 | 0.017962568 | 0.015035295 | 0.013050488 | 0.024161964 | 0.028752695 | 0.024724698 |
| C11H18OS | 0.000000000 | 0.005472996 | 0.006460780 | 0.009618538 | 0.006396495 | 0.000000000 | 0.007360118 | 0.006474715 | 0.005695215 | 0.005317703 | 0.000000000 | 0.000000000 |
| C11H18O3 | 0.066207443 | 0.055015884 | 0.049270323 | 0.138108539 | 0.132334703 | 0.137344904 | 0.214165105 | 0.210580730 | 0.263528050 | 0.044407106 | 0.062545927 | 0.035217627 |
| C15H18 | 0.006543458 | 0.008492289 | 0.006824856 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010830251 | 0.012877552 | 0.023758135 |
| C12H22S | 0.005419178 | 0.007136141 | 0.000000000 | 0.009554177 | 0.000000000 | 0.000000000 | 0.007459996 | 0.000000000 | 0.000000000 | 0.005028134 | 0.000000000 | 0.009521187 |
| C12H22O2 | 0.151366565 | 0.138824748 | 0.098156247 | 0.121722983 | 0.084771534 | 0.063771159 | 0.082501626 | 0.079587154 | 0.112003220 | 0.100549304 | 0.196585495 | 0.766496219 |
| C8H9NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006555274 | 0.000000000 | 0.000000000 | 0.004543837 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H9NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005445437 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H13NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006679293 | 0.000000000 | 0.000000000 | 0.006062122 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H13NO4 | 0.013832500 | 0.007650336 | 0.007361541 | 0.000000000 | 0.008656382 | 0.000000000 | 0.000000000 | 0.006208057 | 0.000000000 | 0.005225105 | 0.000000000 | 0.000000000 |
| C13H13NO | 0.000000000 | 0.000000000 | 0.004271811 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004285065 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008108434 | 0.005729721 | 0.008402865 | 0.007008909 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009193569 | 0.010870416 | 0.012982984 | 0.014675676 | 0.011622508 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007420563 | 0.000000000 | 0.006090019 | 0.009233258 | 0.005690323 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O3S | 0.076564136 | 0.029181915 | 0.025660165 | 0.042559731 | 0.031296444 | 0.029095836 | 0.023012159 | 0.041121783 | 0.023787206 | 0.020203540 | 0.024490742 | 0.000000000 |
| C13H12S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007897099 | 0.007555647 | 0.010099024 | 0.010407576 | 0.011586635 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O5 | 0.015351582 | 0.016844333 | 0.012085628 | 0.064138560 | 0.065279789 | 0.052287384 | 0.070432449 | 0.093430303 | 0.087042258 | 0.015708006 | 0.020924332 | 0.000000000 |
| C13H12O2 | 0.013110192 | 0.013950442 | 0.012104389 | 0.048783676 | 0.038915489 | 0.039885464 | 0.052679714 | 0.055616439 | 0.044976692 | 0.016600395 | 0.021133880 | 0.025745279 |
| C10H16O2S | 0.028291600 | 0.033556374 | 0.031978738 | 0.081792763 | 0.050682328 | 0.057119585 | 0.057208481 | 0.035708916 | 0.030804695 | 0.024830451 | 0.026962104 | 0.013058418 |
| C10H16O4 | 0.415983178 | 0.434929135 | 0.377148655 | 0.854506620 | 0.754171648 | 0.816424105 | 1.728454052 | 1.244689879 | 1.623049518 | 0.318815792 | 0.333724469 | 0.121535916 |
| C14H16O | 0.007352750 | 0.009775436 | 0.009382634 | 0.011192627 | 0.013482287 | 0.012570560 | 0.011052182 | 0.012184710 | 0.012311275 | 0.009121315 | 0.000000000 | 0.011236522 |
| C11H20OS | 0.006651867 | 0.008225836 | 0.000000000 | 0.011605577 | 0.000000000 | 0.000000000 | 0.007019527 | 0.005244005 | 0.004597785 | 0.010345388 | 0.024124265 | 0.028804179 |
| C11H20O3 | 0.088981467 | 0.110179835 | 0.111407420 | 0.156823105 | 0.204364079 | 0.173004224 | 0.163280417 | 0.215474277 | 0.251466259 | 0.084468081 | 0.107833509 | 0.046635771 |
| C15H20 | 0.005659199 | 0.005966608 | 0.005317172 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005101451 | 0.000000000 | 0.014858219 |
| C12H24O2 | 0.022727559 | 0.018289425 | 0.012885691 | 0.015583140 | 0.011275437 | 0.008422851 | 0.006509071 | 0.007023744 | 0.007312609 | 0.012940057 | 0.053779730 | 0.249765587 |
| C7H7NO4S | 0.007524580 | 0.000000000 | 0.006578773 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H11NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.003926350 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H11NO5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11NO2 | 0.000000000 | 0.000000000 | 0.004417183 | 0.000000000 | 0.010899589 | 0.008097631 | 0.006137453 | 0.012508678 | 0.005976799 | 0.006598261 | 0.000000000 | 0.000000000 |
| C9H15NO4 | 0.068186733 | 0.021030311 | 0.010177168 | 0.015772955 | 0.015264402 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013425789 | 0.030345204 | 0.000000000 |
| C13H15NO | 0.000000000 | 0.006496634 | 0.005141408 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009490935 | 0.013051051 | 0.016122064 |
| C7H6O5S | 0.000000000 | 0.000000000 | 0.004514037 | 0.000000000 | 0.016495000 | 0.009681925 | 0.000000000 | 0.016188751 | 0.006406796 | 0.004623228 | 0.000000000 | 0.000000000 |
| C11H6O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.014908927 | 0.006072487 | 0.016713445 | 0.037654549 | 0.010735909 | 0.015250437 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007748047 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O4S | 0.008616740 | 0.011794859 | 0.011709144 | 0.015771189 | 0.022466279 | 0.020398493 | 0.018345570 | 0.024252548 | 0.014055856 | 0.012810379 | 0.055764887 | 0.049335131 |
| C8H11O4P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10OS | 0.004435603 | 0.007071055 | 0.005814038 | 0.023157955 | 0.039651664 | 0.040453022 | 0.036765305 | 0.042033840 | 0.046845348 | 0.004958336 | 0.000000000 | 0.000000000 |
| C8H10O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006391712 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O3 | 0.009041065 | 0.009155634 | 0.009724862 | 0.037924857 | 0.028654502 | 0.033234006 | 0.028193608 | 0.028602356 | 0.025094509 | 0.011790071 | 0.015615021 | 0.000000000 |
| C9H14O3S | 0.008856671 | 0.010728929 | 0.011346686 | 0.038116469 | 0.029522297 | 0.030642561 | 0.034945585 | 0.025378243 | 0.020152916 | 0.009468216 | 0.000000000 | 0.000000000 |
| C11H10N2O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010267993 | 0.013836585 | 0.000000000 |
| C13H14S | 0.013269677 | 0.019219187 | 0.018558961 | 0.049883744 | 0.036325181 | 0.042898383 | 0.060273743 | 0.044055895 | 0.079328049 | 0.016211552 | 0.019374361 | 0.019726169 |
| C9H14O5 | 0.060181655 | 0.058399460 | 0.053960924 | 0.358290066 | 0.382346545 | 0.460794000 | 0.421800846 | 0.354224193 | 0.330272334 | 0.047414368 | 0.060259977 | 0.013831073 |
| C8H14N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H14O2 | 0.019413867 | 0.023040901 | 0.022211982 | 0.053649820 | 0.044300619 | 0.047613674 | 0.060586660 | 0.049281202 | 0.053425483 | 0.024293454 | 0.031947451 | 0.026301745 |
| C10H18O2S | 0.000000000 | 0.006382183 | 0.006931237 | 0.015417830 | 0.011017218 | 0.012017781 | 0.017147585 | 0.011828651 | 0.012208533 | 0.004209129 | 0.000000000 | 0.009306439 |
| C9H18N2O3 | 0.015038503 | 0.008632592 | 0.005285222 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007811487 | 0.000000000 | 0.000000000 |
| C14H18O | 0.012861551 | 0.017261020 | 0.013434175 | 0.023647031 | 0.018421898 | 0.014158691 | 0.015920739 | 0.015945682 | 0.018638511 | 0.014133883 | 0.024209909 | 0.023847102 |
| C11H22O3 | 0.015196070 | 0.016534605 | 0.016105980 | 0.011774102 | 0.017264874 | 0.013949259 | 0.012406853 | 0.016011713 | 0.024076243 | 0.016359788 | 0.027190732 | 0.026435382 |
| C15H22 | 0.005956554 | 0.006043711 | 0.005596964 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005247209 | 0.000000000 | 0.015640443 |
| C11H9NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004353877 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H9NO3 | 0.006299368 | 0.007622869 | 0.008038256 | 0.000000000 | 0.000000000 | 0.007102812 | 0.000000000 | 0.006418361 | 0.004304117 | 0.005149935 | 0.000000000 | 0.000000000 |
| C12H13NO2 | 0.006430092 | 0.009480457 | 0.009442928 | 0.010193267 | 0.008872362 | 0.008343783 | 0.000000000 | 0.005650582 | 0.004772524 | 0.009169443 | 0.012574792 | 0.008422499 |
| C13H17NO | 0.011532370 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010955162 |
| C11H8O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.056084460 | 0.047660826 | 0.063817606 | 0.098860961 | 0.058941421 | 0.072893271 | 0.006494852 | 0.000000000 | 0.000000000 |
| C8H12O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O4 | 0.000000000 | 0.005161329 | 0.005393868 | 0.011598870 | 0.014064938 | 0.012753406 | 0.025618522 | 0.018334253 | 0.020334160 | 0.007740826 | 0.000000000 | 0.000000000 |
| C8H12O4S | 0.004903948 | 0.008301006 | 0.008056283 | 0.016306437 | 0.017716897 | 0.020444951 | 0.031629430 | 0.025908150 | 0.024795961 | 0.006427522 | 0.000000000 | 0.000000000 |
| C12H12OS | 0.007220559 | 0.009905896 | 0.009329693 | 0.043425313 | 0.055378018 | 0.054153302 | 0.064343590 | 0.074575638 | 0.077149472 | 0.009013739 | 0.019662380 | 0.014683241 |
| C8H12O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010964625 | 0.014689984 | 0.010495658 | 0.019220638 | 0.014637657 | 0.012663935 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O3 | 0.013597485 | 0.018127692 | 0.019391877 | 0.066457701 | 0.053218897 | 0.058430192 | 0.061445201 | 0.061957135 | 0.049497439 | 0.021069235 | 0.027719076 | 0.010508368 |
| C9H16O3S | 0.126480545 | 0.135482947 | 0.110960743 | 0.369710494 | 0.271685312 | 0.276316552 | 0.253102486 | 0.169339654 | 0.118248942 | 0.096082608 | 0.100871781 | 0.057643738 |
| C11H12N2O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.003873350 | 0.000000000 | 0.000000000 |
| C13H16S | 0.024235228 | 0.027133174 | 0.024557347 | 0.028433860 | 0.022655115 | 0.019310041 | 0.024371116 | 0.023698567 | 0.028771477 | 0.027480882 | 0.035313897 | 0.068747155 |
| C9H16O5 | 0.031138474 | 0.020559702 | 0.014410808 | 0.039698973 | 0.040894227 | 0.038156508 | 0.052387696 | 0.027867684 | 0.035292819 | 0.016280737 | 0.021000487 | 0.000000000 |
| C13H16O2 | 0.070767687 | 0.070087780 | 0.054850115 | 0.104792174 | 0.080213449 | 0.073326204 | 0.110981684 | 0.082774953 | 0.102973764 | 0.057262647 | 0.079711240 | 0.176156286 |
| C10H20O2S | 0.000000000 | 0.005954965 | 0.006070474 | 0.000000000 | 0.010619708 | 0.000000000 | 0.000000000 | 0.008106094 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H20O4 | 0.012498322 | 0.007345677 | 0.000000000 | 0.000000000 | 0.006594576 | 0.000000000 | 0.007324480 | 0.000000000 | 0.000000000 | 0.004347361 | 0.000000000 | 0.000000000 |
| C14H20O | 0.012917258 | 0.012983485 | 0.014676469 | 0.010687274 | 0.008520010 | 0.008727547 | 0.005928816 | 0.006574843 | 0.007959052 | 0.012438522 | 0.018695988 | 0.018060193 |
| C11H11NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008074477 | 0.000000000 | 0.006629730 | 0.009578318 | 0.008172009 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H11NO3 | 0.006291538 | 0.008059302 | 0.007914985 | 0.000000000 | 0.007747789 | 0.000000000 | 0.005805309 | 0.008204264 | 0.005556798 | 0.006775318 | 0.000000000 | 0.000000000 |
| C12H15NO2 | 0.005856541 | 0.004817020 | 0.004432318 | 0.000000000 | 0.007182227 | 0.000000000 | 0.005201172 | 0.000000000 | 0.000000000 | 0.004754880 | 0.000000000 | 0.000000000 |
| C9H19NO4 | 0.004336632 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H6O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011451428 | 0.008027330 | 0.013693614 | 0.022866526 | 0.033642961 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H10O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H10O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006393218 | 0.008080940 | 0.008983724 | 0.008517840 | 0.005943607 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O2S | 0.019464356 | 0.023822865 | 0.019421694 | 0.117005377 | 0.119163469 | 0.131042084 | 0.217401555 | 0.192243828 | 0.214602014 | 0.020081021 | 0.030923617 | 0.026130110 |
| C11H10O4 | 0.017903267 | 0.024715138 | 0.022134120 | 0.106989038 | 0.076889668 | 0.083714052 | 0.132227886 | 0.065183100 | 0.058063763 | 0.021148519 | 0.025862064 | 0.000000000 |
| C8H14O4S | 0.033653980 | 0.042058848 | 0.041614732 | 0.138491706 | 0.166024214 | 0.140511620 | 0.187198850 | 0.166117391 | 0.115587338 | 0.031510175 | 0.033899681 | 0.000000000 |
| C15H10O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H14OS | 0.008264526 | 0.007349739 | 0.007169004 | 0.026157781 | 0.025648697 | 0.026361203 | 0.035608795 | 0.036464858 | 0.042553567 | 0.006927786 | 0.015193709 | 0.011891629 |
| C12H14O3 | 0.029608025 | 0.034557623 | 0.034277501 | 0.120626166 | 0.109948430 | 0.114343866 | 0.119448578 | 0.121313323 | 0.119399638 | 0.036217903 | 0.037632866 | 0.020266896 |
| C9H18O3S | 0.046107064 | 0.066126090 | 0.062889063 | 0.012920489 | 0.012980528 | 0.014039668 | 0.000000000 | 0.006253557 | 0.000000000 | 0.051391646 | 0.054022354 | 0.016877379 |
| C16H14 | 0.021254687 | 0.032402013 | 0.034015025 | 0.009988606 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.038191245 | 0.044956268 | 0.049112847 |
| C13H18S | 0.007449995 | 0.007861049 | 0.007712768 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005241940 | 0.006192032 | 0.000000000 | 0.013376592 |
| C9H18O5 | 0.004784748 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H18O2 | 0.118376314 | 0.103585056 | 0.074926198 | 0.116344821 | 0.084265998 | 0.073660104 | 0.094351042 | 0.082735144 | 0.107806177 | 0.086251545 | 0.134855622 | 0.515493493 |
| C14H22O | 0.029414750 | 0.022685968 | 0.021546734 | 0.017866024 | 0.013734778 | 0.010023500 | 0.007008726 | 0.007367993 | 0.006798885 | 0.018447925 | 0.024029109 | 0.013445045 |
| C10H9NO2S | 0.006548648 | 0.010033472 | 0.010147870 | 0.000000000 | 0.015192672 | 0.008860455 | 0.004981036 | 0.012927635 | 0.007596066 | 0.007799172 | 0.000000000 | 0.000000000 |
| C10H9NO4 | 0.004340380 | 0.007136621 | 0.005161331 | 0.000000000 | 0.008375630 | 0.000000000 | 0.000000000 | 0.007691938 | 0.005478604 | 0.006628999 | 0.000000000 | 0.000000000 |
| C11H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.014854744 | 0.012981923 | 0.011563990 | 0.006468363 | 0.008774189 | 0.006523896 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H13NO3 | 0.006657909 | 0.009109691 | 0.006949585 | 0.000000000 | 0.009905939 | 0.007517309 | 0.004868907 | 0.007490465 | 0.000000000 | 0.006820978 | 0.000000000 | 0.000000000 |
| C12H17NO2 | 0.015236873 | 0.007872022 | 0.006373074 | 0.016199384 | 0.008940058 | 0.008741232 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006999487 | 0.000000000 | 0.000000000 |
| C10H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008454882 | 0.006031276 | 0.006851132 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O3S | 0.032968529 | 0.025345020 | 0.028104396 | 0.042612826 | 0.054081979 | 0.048352159 | 0.068712158 | 0.068881575 | 0.061812528 | 0.025558363 | 0.033095007 | 0.015710468 |
| C7H12O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O5 | 0.000000000 | 0.006596822 | 0.004647371 | 0.010650999 | 0.013747799 | 0.009597346 | 0.009716800 | 0.011486772 | 0.009114703 | 0.007023923 | 0.000000000 | 0.000000000 |
| C7H12O5S | 0.004531166 | 0.007713131 | 0.007087919 | 0.000000000 | 0.000000000 | 0.006266704 | 0.007769436 | 0.008818541 | 0.000000000 | 0.005554032 | 0.000000000 | 0.000000000 |
| C11H12O2S | 0.005335008 | 0.006899854 | 0.007661352 | 0.032048133 | 0.035641471 | 0.038950897 | 0.063837606 | 0.062683527 | 0.066564847 | 0.007761412 | 0.012703477 | 0.000000000 |
| C11H12O4 | 0.039671319 | 0.038168287 | 0.038816591 | 0.159241492 | 0.102616374 | 0.141020917 | 0.257652245 | 0.147191513 | 0.153085220 | 0.034475429 | 0.042246965 | 0.014985596 |
| C8H16O4S | 0.074910803 | 0.102229061 | 0.103089483 | 0.030858890 | 0.029494647 | 0.032959416 | 0.014235318 | 0.014356551 | 0.007774893 | 0.078777636 | 0.076692501 | 0.021033325 |
| C10H12N2O3 | 0.004473028 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H12O | 0.008425927 | 0.010196498 | 0.010145675 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006047533 | 0.006214627 | 0.004473436 | 0.010670922 | 0.013991577 | 0.010263818 |
| C12H16OS | 0.010024633 | 0.014207702 | 0.013029957 | 0.017882569 | 0.019370441 | 0.019651465 | 0.027978073 | 0.022201450 | 0.022508305 | 0.011667691 | 0.014774870 | 0.012966540 |
| C8H16O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.018503640 | 0.014378064 | 0.009560890 | 0.005575106 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H16O3 | 0.038661650 | 0.044793126 | 0.041066551 | 0.287366486 | 0.262847858 | 0.307029623 | 0.288283195 | 0.275072231 | 0.280509227 | 0.039513172 | 0.046951529 | 0.027844224 |
| C9H20O3S | 0.036814105 | 0.049751858 | 0.051416214 | 0.000000000 | 0.006511150 | 0.007276347 | 0.000000000 | 0.000000000 | 0.000000000 | 0.039903800 | 0.042818456 | 0.016114444 |
| C16H16 | 0.007196056 | 0.006963099 | 0.005957563 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008758244 | 0.000000000 | 0.013224148 |
| C13H20S | 0.006111162 | 0.006911778 | 0.006520828 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009827413 | 0.000000000 | 0.019259160 |
| C13H20O2 | 0.291962003 | 0.274552851 | 0.206511140 | 0.191325710 | 0.116728416 | 0.113898475 | 0.101401748 | 0.081263974 | 0.090496093 | 0.203306091 | 0.270890404 | 0.929514766 |
| C14H24O | 0.006419143 | 0.008386428 | 0.008455188 | 0.000000000 | 0.007938199 | 0.007870721 | 0.000000000 | 0.006470944 | 0.009175217 | 0.006712572 | 0.015458385 | 0.013968286 |
| C9H7NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.010178648 | 0.009433507 | 0.007496770 | 0.000000000 | 0.009618557 | 0.006626845 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NO2S | 0.006876561 | 0.009441514 | 0.011940222 | 0.044107833 | 0.068897913 | 0.047486491 | 0.012025582 | 0.033326962 | 0.015716933 | 0.013012219 | 0.000000000 | 0.000000000 |
| C10H11NO4 | 0.019488963 | 0.023462969 | 0.021461799 | 0.012159222 | 0.025580699 | 0.014737802 | 0.000000000 | 0.007745113 | 0.000000000 | 0.015584970 | 0.000000000 | 0.000000000 |
| C14H11NO | 0.000000000 | 0.008312412 | 0.009118468 | 0.009017572 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014729652 | 0.014865420 | 0.009050864 |
| C11H15NO3 | 0.027548751 | 0.015337960 | 0.015112040 | 0.009735304 | 0.012272039 | 0.007629631 | 0.006104286 | 0.007044216 | 0.004352781 | 0.011995300 | 0.000000000 | 0.000000000 |
| C12H19NO2 | 0.046840632 | 0.017268588 | 0.012177794 | 0.013431217 | 0.010314397 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011274701 | 0.020669971 | 0.000000000 |
| C9H6O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004528827 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008455452 | 0.006363134 | 0.010001091 | 0.010204922 | 0.009003891 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O6 | 0.005892034 | 0.000000000 | 0.004342898 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O3S | 0.009586257 | 0.009403130 | 0.008347472 | 0.136384356 | 0.167476288 | 0.265257291 | 0.555531892 | 0.310317000 | 0.395714806 | 0.010356246 | 0.016267709 | 0.000000000 |
| C7H14O3S2 | 0.006153437 | 0.000000000 | 0.004103082 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O5 | 0.007574022 | 0.009460396 | 0.008305301 | 0.038665344 | 0.031904616 | 0.037414328 | 0.035267539 | 0.028832235 | 0.024912355 | 0.010075081 | 0.000000000 | 0.000000000 |
| C7H14O5S | 0.013077285 | 0.016077302 | 0.014316044 | 0.008852453 | 0.010398382 | 0.007600484 | 0.000000000 | 0.008618977 | 0.004419750 | 0.011457423 | 0.013905998 | 0.000000000 |
| C14H10O2 | 0.005178671 | 0.005241941 | 0.006735835 | 0.008625354 | 0.011403074 | 0.009892374 | 0.008362583 | 0.013298820 | 0.009924385 | 0.005818635 | 0.000000000 | 0.000000000 |
| C11H14O2S | 0.007878386 | 0.011310070 | 0.010631804 | 0.033452372 | 0.043371882 | 0.050147531 | 0.076125240 | 0.078013920 | 0.081463290 | 0.009618809 | 0.018767647 | 0.010903104 |
| C7H14O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H14O4 | 0.024570790 | 0.031198302 | 0.025593827 | 0.113021736 | 0.088961936 | 0.110569251 | 0.184041590 | 0.116619943 | 0.134861262 | 0.027627960 | 0.031519298 | 0.012706006 |
| C8H18O4S | 0.089879482 | 0.120613339 | 0.119615743 | 0.012445129 | 0.012934657 | 0.013173125 | 0.000000000 | 0.000000000 | 0.000000000 | 0.084719752 | 0.082640010 | 0.023249781 |
| C8H19O4P | 0.457240854 | 0.135963296 | 0.022900178 | 0.087148349 | 0.073197082 | 0.081615178 | 0.021286068 | 0.077930565 | 0.009684518 | 0.016333538 | 0.013737077 | 0.000000000 |
| C15H14O | 0.009548734 | 0.010676448 | 0.012009913 | 0.012166000 | 0.009724365 | 0.008172909 | 0.009628621 | 0.007922434 | 0.007967690 | 0.014383785 | 0.012160987 | 0.017500968 |
| C12H18OS | 0.004648796 | 0.004607339 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006916158 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004845480 | 0.000000000 | 0.000000000 |
| C12H18O3 | 0.035183490 | 0.036354471 | 0.034337323 | 0.063957461 | 0.055830964 | 0.053469726 | 0.088937589 | 0.076596475 | 0.109794283 | 0.036066831 | 0.042956790 | 0.029532856 |
| C16H18 | 0.009597110 | 0.011732588 | 0.008700680 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007417803 | 0.000000000 | 0.000000000 | 0.012289265 | 0.013063406 | 0.023046367 |
| C13H22S | 0.006523237 | 0.008986735 | 0.007428850 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009829344 | 0.014829973 | 0.024086122 |
| C13H22O2 | 0.674821971 | 0.655019067 | 0.474354125 | 0.369509584 | 0.245081789 | 0.209024951 | 0.149623066 | 0.148277498 | 0.153870483 | 0.467855079 | 0.727020098 | 2.584368781 |
| C14H26O | 0.000000000 | 0.005355592 | 0.005191471 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004134286 | 0.004161974 | 0.000000000 | 0.008882644 |
| C9H9NO3S | 0.000000000 | 0.000000000 | 0.004033668 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006987021 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H9NO2 | 0.000000000 | 0.005002228 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005482854 | 0.000000000 | 0.000000000 |
| C10H13NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015908794 | 0.013727337 | 0.000000000 | 0.008960439 | 0.004783796 | 0.004339607 | 0.000000000 | 0.000000000 |
| C10H13NO4 | 0.011542329 | 0.012862783 | 0.013098263 | 0.007891289 | 0.013452661 | 0.007974537 | 0.000000000 | 0.008540070 | 0.005590821 | 0.010636760 | 0.000000000 | 0.000000000 |
| C11H17NO3 | 0.031467961 | 0.012825318 | 0.007389109 | 0.000000000 | 0.011895339 | 0.000000000 | 0.000000000 | 0.004880838 | 0.000000000 | 0.006801267 | 0.000000000 | 0.000000000 |
| C12H21NO2 | 0.042145110 | 0.012209466 | 0.006576668 | 0.000000000 | 0.009510259 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006168222 | 0.018422779 | 0.000000000 |
| C9H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009591729 | 0.004430042 | 0.004571689 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O4S | 0.000000000 | 0.007407654 | 0.004895473 | 0.022739106 | 0.024185204 | 0.034923001 | 0.025273623 | 0.040966278 | 0.026363359 | 0.005881140 | 0.000000000 | 0.000000000 |
| C10H12OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007582648 | 0.000000000 | 0.006166155 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O3 | 0.004641004 | 0.004699341 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009119368 | 0.010448137 | 0.008692144 | 0.012051041 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O3S | 0.015353028 | 0.019565660 | 0.018514589 | 0.035993016 | 0.037424238 | 0.039979301 | 0.041074936 | 0.039423739 | 0.032780288 | 0.015503671 | 0.019463071 | 0.009547188 |
| C14H12S | 0.014944865 | 0.020844840 | 0.018748970 | 0.011688819 | 0.007847047 | 0.011251739 | 0.012276133 | 0.011518476 | 0.012263214 | 0.031394693 | 0.040409455 | 0.039901890 |
| C10H12O5 | 0.009466673 | 0.011069516 | 0.010139881 | 0.020136003 | 0.024112969 | 0.023027737 | 0.027826262 | 0.037450376 | 0.044843803 | 0.013095960 | 0.014032493 | 0.000000000 |
| C14H12O2 | 0.008689716 | 0.009962110 | 0.009586788 | 0.043148568 | 0.031742322 | 0.031980925 | 0.057238543 | 0.048804283 | 0.044569649 | 0.010263948 | 0.012768321 | 0.013723735 |
| C11H16O2S | 0.009667202 | 0.010319411 | 0.010014902 | 0.025005471 | 0.022816475 | 0.023242093 | 0.027711007 | 0.020725293 | 0.021696002 | 0.005951929 | 0.000000000 | 0.010375553 |
| C11H16O4 | 0.075788684 | 0.080835234 | 0.064256886 | 0.266125104 | 0.235249698 | 0.245074106 | 0.447897959 | 0.282246978 | 0.349551639 | 0.062173247 | 0.074874127 | 0.038426594 |
| C15H16O | 0.024744807 | 0.027702633 | 0.028620570 | 0.023941787 | 0.019464165 | 0.018083596 | 0.013527783 | 0.014409115 | 0.011809579 | 0.034748730 | 0.038295435 | 0.036556977 |
| C12H20OS | 0.008390785 | 0.011245266 | 0.009249336 | 0.009221170 | 0.006648755 | 0.009293618 | 0.007634218 | 0.006007482 | 0.005039366 | 0.009314365 | 0.000000000 | 0.013424916 |
| C12H20O3 | 0.095094887 | 0.100938652 | 0.099818247 | 0.130283136 | 0.139916702 | 0.144338857 | 0.196329295 | 0.239166151 | 0.313413402 | 0.086876911 | 0.100682176 | 0.063126298 |
| C16H20 | 0.000000000 | 0.000000000 | 0.004480772 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007341070 | 0.013854155 | 0.016750902 |
| C13H24S | 0.000000000 | 0.006513590 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004306157 | 0.000000000 | 0.011940074 |
| C13H24O2 | 0.155763255 | 0.151473503 | 0.112342869 | 0.081205647 | 0.061856877 | 0.047412846 | 0.036776876 | 0.045663641 | 0.063983614 | 0.113816570 | 0.240197597 | 0.938475585 |
| C8H7NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004709417 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007157505 | 0.004873769 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H11NO2 | 0.008101786 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008024181 | 0.005829124 | 0.005320533 | 0.007081104 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H15NO4 | 0.050067294 | 0.015484590 | 0.009490848 | 0.014762975 | 0.015723277 | 0.007281972 | 0.000000000 | 0.008575058 | 0.005080263 | 0.008707499 | 0.021551326 | 0.000000000 |
| C14H15NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006451321 | 0.000000000 | 0.011550627 |
| C12H23NO2 | 0.012769095 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006797566 | 0.006187371 | 0.004460939 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H6O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008106919 | 0.005239405 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005664808 | 0.007115652 | 0.005265859 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O4S | 0.026329447 | 0.030839551 | 0.030972249 | 0.029772684 | 0.040371486 | 0.034964776 | 0.033715985 | 0.082186927 | 0.053736598 | 0.044745210 | 0.060479912 | 0.040007041 |
| C13H10OS | 0.000000000 | 0.000000000 | 0.005748875 | 0.020595446 | 0.029710074 | 0.028008801 | 0.032802015 | 0.042496962 | 0.043318135 | 0.004670016 | 0.000000000 | 0.000000000 |
| C9H10O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007625787 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H14OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O3 | 0.012662639 | 0.009269516 | 0.007251184 | 0.018897453 | 0.018165381 | 0.015129517 | 0.019030478 | 0.032331286 | 0.023656216 | 0.011198682 | 0.014930381 | 0.000000000 |
| C10H14O3S | 0.012555227 | 0.015987096 | 0.016525882 | 0.026363486 | 0.024451706 | 0.026825142 | 0.028734387 | 0.024757397 | 0.019915751 | 0.012798226 | 0.017596895 | 0.000000000 |
| C14H14S | 0.000000000 | 0.000000000 | 0.000000000 | 0.015550990 | 0.011845514 | 0.013039821 | 0.011047525 | 0.013299293 | 0.009818787 | 0.000000000 | 0.000000000 | 0.008992675 |
| C10H14O5 | 0.023429286 | 0.035735174 | 0.024066276 | 0.063105613 | 0.079091581 | 0.102664042 | 0.157960623 | 0.150782829 | 0.181604523 | 0.030514410 | 0.033053148 | 0.010123049 |
| C14H14O2 | 0.015745506 | 0.019244261 | 0.017841495 | 0.035877773 | 0.030495301 | 0.031194607 | 0.036696816 | 0.038842092 | 0.032494982 | 0.023691966 | 0.028686783 | 0.040350568 |
| C11H18O2S | 0.024567911 | 0.030776467 | 0.028947383 | 0.069025612 | 0.043935736 | 0.046363359 | 0.049945513 | 0.032324378 | 0.026991993 | 0.023220527 | 0.025844106 | 0.018843316 |
| C11H18O4 | 0.343699680 | 0.337664921 | 0.299363506 | 0.548066991 | 0.512863231 | 0.522303580 | 1.026528138 | 0.809336340 | 1.211963178 | 0.252395885 | 0.241040608 | 0.106271432 |
| C10H18N2O3 | 0.010231540 | 0.004989927 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H18O | 0.007270454 | 0.008325032 | 0.010685514 | 0.011201961 | 0.010489672 | 0.008490246 | 0.007187848 | 0.007942033 | 0.008193400 | 0.009336554 | 0.000000000 | 0.016989629 |
| C12H22OS | 0.005820347 | 0.005183389 | 0.006176291 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008471122 | 0.016735228 | 0.021790930 |
| C12H22O3 | 0.064691278 | 0.083553820 | 0.080595732 | 0.079068504 | 0.091158118 | 0.082283264 | 0.084957037 | 0.112899537 | 0.149644148 | 0.066000696 | 0.081736089 | 0.060586059 |
| C16H22 | 0.006663595 | 0.007050847 | 0.005327130 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006917916 | 0.000000000 | 0.020887961 |
| C13H26O2 | 0.012412143 | 0.010707736 | 0.008821567 | 0.011970142 | 0.000000000 | 0.007874127 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009065530 | 0.033729576 | 0.144376671 |
| C8H9NO4S | 0.005822204 | 0.005631525 | 0.006367733 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007352296 | 0.000000000 | 0.032623372 | 0.026375019 | 0.000000000 |
| C12H9NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008446704 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H9NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005240846 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H13NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004557288 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NO2 | 0.007366379 | 0.008601513 | 0.008558350 | 0.011737224 | 0.013466400 | 0.013301850 | 0.006120619 | 0.012570709 | 0.007761835 | 0.009886403 | 0.015961542 | 0.000000000 |
| C14H17NO | 0.000000000 | 0.005148013 | 0.004355007 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008690993 | 0.000000000 | 0.012199610 |
| C8H8O5S | 0.009252520 | 0.013498133 | 0.014315266 | 0.012391342 | 0.055912065 | 0.032278689 | 0.011383319 | 0.080243321 | 0.034526961 | 0.012052591 | 0.019625592 | 0.000000000 |
| C12H8O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.014299170 | 0.015676025 | 0.018844091 | 0.029362529 | 0.022049431 | 0.021425545 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O4 | 0.000000000 | 0.006802308 | 0.005078101 | 0.009020127 | 0.011504973 | 0.008242065 | 0.016389701 | 0.014941106 | 0.012759818 | 0.004984762 | 0.000000000 | 0.000000000 |
| C9H12O4S | 0.013201874 | 0.017537010 | 0.015718378 | 0.019138913 | 0.024836935 | 0.019852446 | 0.022898773 | 0.025211031 | 0.016226119 | 0.017410243 | 0.075703229 | 0.063819903 |
| C13H12OS | 0.007923308 | 0.009599511 | 0.011624778 | 0.034090811 | 0.053370757 | 0.046979880 | 0.063814112 | 0.070237495 | 0.072669341 | 0.008665827 | 0.014340331 | 0.009519192 |
| C9H12O6 | 0.010088631 | 0.009757435 | 0.008143645 | 0.014487543 | 0.018085755 | 0.015794808 | 0.014685265 | 0.017442597 | 0.012616225 | 0.010399226 | 0.000000000 | 0.000000000 |
| C13H12O3 | 0.012091950 | 0.012941541 | 0.013999717 | 0.034546733 | 0.035942646 | 0.039819322 | 0.036098100 | 0.043152158 | 0.036935811 | 0.016413511 | 0.016240262 | 0.010140848 |
| C10H16O3S | 0.023904087 | 0.029088996 | 0.028942977 | 0.083538406 | 0.065912435 | 0.077375863 | 0.079689515 | 0.054422670 | 0.044468973 | 0.021282851 | 0.022001826 | 0.000000000 |
| C14H16S | 0.013814199 | 0.016798789 | 0.016755893 | 0.036284437 | 0.021515646 | 0.027466121 | 0.028374523 | 0.021896636 | 0.033893841 | 0.017208248 | 0.023996983 | 0.023768929 |
| C10H16O5 | 0.090917123 | 0.099553495 | 0.091422188 | 0.226383996 | 0.230544835 | 0.296363136 | 0.426296400 | 0.293313007 | 0.382142527 | 0.077707901 | 0.081283987 | 0.017082095 |
| C14H16O2 | 0.038784766 | 0.041193700 | 0.037211487 | 0.057083626 | 0.038752691 | 0.043365566 | 0.044743966 | 0.032013708 | 0.035728191 | 0.036638466 | 0.048266981 | 0.095158811 |
| C11H20O2S | 0.007663784 | 0.006841877 | 0.008079635 | 0.013546133 | 0.000000000 | 0.007288646 | 0.009532833 | 0.006728026 | 0.008392748 | 0.007388778 | 0.000000000 | 0.009958088 |
| C11H20O4 | 0.182836274 | 0.174850410 | 0.156120097 | 0.258468143 | 0.244429553 | 0.257004323 | 0.424978989 | 0.376973286 | 0.570771827 | 0.138173912 | 0.155451004 | 0.046840649 |
| C15H20O | 0.010530922 | 0.014836681 | 0.012199844 | 0.013073785 | 0.011998437 | 0.008374958 | 0.008406858 | 0.006294644 | 0.008019058 | 0.013898097 | 0.016383299 | 0.025059968 |
| C12H24O3 | 0.015504287 | 0.018626816 | 0.015837244 | 0.022013233 | 0.022393883 | 0.017935830 | 0.015883460 | 0.013794732 | 0.017114030 | 0.027856209 | 0.076217814 | 0.138097111 |
| C16H24 | 0.000000000 | 0.006180662 | 0.005768058 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005471084 | 0.000000000 | 0.018576695 |
| C12H11NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006005211 | 0.000000000 | 0.008052665 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11NO3 | 0.006430449 | 0.007974102 | 0.010347648 | 0.000000000 | 0.010101548 | 0.008270319 | 0.006777617 | 0.011012756 | 0.006954266 | 0.008906778 | 0.000000000 | 0.000000000 |
| C9H15NO5 | 0.009658311 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H15NO2 | 0.006879844 | 0.007362199 | 0.009625831 | 0.000000000 | 0.008748261 | 0.008038992 | 0.000000000 | 0.005271573 | 0.000000000 | 0.008869773 | 0.000000000 | 0.000000000 |
| C9H19N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H23NO3 | 0.019537046 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004069528 | 0.000000000 | 0.000000000 |
| C11H6O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005478329 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004185038 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H6O5 | 0.004692257 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O5S | 0.007516397 | 0.008283162 | 0.007606450 | 0.025987498 | 0.018879053 | 0.012775048 | 0.043609972 | 0.024559870 | 0.018992565 | 0.008599619 | 0.016435793 | 0.000000000 |
| C12H10O2S | 0.016183062 | 0.017555133 | 0.016163995 | 0.072468493 | 0.064882337 | 0.071552753 | 0.116004334 | 0.097839041 | 0.124998623 | 0.017644612 | 0.017945264 | 0.016726221 |
| C12H10O4 | 0.011499762 | 0.010653994 | 0.011776657 | 0.026132916 | 0.025284228 | 0.028560043 | 0.043124199 | 0.037553648 | 0.033184182 | 0.012879686 | 0.012719440 | 0.000000000 |
| C9H14O4S | 0.010740695 | 0.017539366 | 0.014529694 | 0.025881853 | 0.028440307 | 0.026114733 | 0.046689575 | 0.037379938 | 0.032981821 | 0.014216567 | 0.015995439 | 0.000000000 |
| C11H10N2O3 | 0.000000000 | 0.005336995 | 0.004994077 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H10O | 0.000000000 | 0.008281244 | 0.010195473 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005750804 | 0.000000000 | 0.009570442 |
| C13H14OS | 0.005747676 | 0.009603840 | 0.009554872 | 0.037966272 | 0.049169175 | 0.044615367 | 0.054347319 | 0.059121891 | 0.057839957 | 0.010500599 | 0.015788348 | 0.024300248 |
| C9H14O6 | 0.009970903 | 0.009007690 | 0.007483068 | 0.030698464 | 0.044158717 | 0.028901055 | 0.042720752 | 0.042514917 | 0.032041824 | 0.008475079 | 0.000000000 | 0.000000000 |
| C13H14O3 | 0.034347101 | 0.039711553 | 0.038950797 | 0.118295452 | 0.089614469 | 0.104715594 | 0.126115892 | 0.094559391 | 0.085674797 | 0.039374837 | 0.040044064 | 0.021254161 |
| C10H18O3S | 0.144369327 | 0.166956636 | 0.144872316 | 0.453037682 | 0.311624365 | 0.317876952 | 0.263987930 | 0.170576268 | 0.121343069 | 0.123736262 | 0.134581187 | 0.073362526 |
| C14H18S | 0.023827554 | 0.027377923 | 0.025426260 | 0.018686813 | 0.013881641 | 0.011123856 | 0.013674950 | 0.012122100 | 0.010914414 | 0.029319643 | 0.044777159 | 0.068504022 |
| C10H18O5 | 0.051863030 | 0.039198334 | 0.029794868 | 0.061884054 | 0.062051801 | 0.070286362 | 0.110504037 | 0.067487958 | 0.094683277 | 0.027703270 | 0.037844254 | 0.010130138 |
| C9H18N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005752542 | 0.000000000 | 0.000000000 |
| C14H18O2 | 0.139356634 | 0.126307732 | 0.096298947 | 0.127069755 | 0.088994668 | 0.082133013 | 0.094628682 | 0.074992380 | 0.099748918 | 0.104986317 | 0.133819417 | 0.386597800 |
| C11H22O4 | 0.022782084 | 0.009661175 | 0.007275331 | 0.010983003 | 0.011265414 | 0.007879728 | 0.007734083 | 0.006629329 | 0.006868805 | 0.007540685 | 0.000000000 | 0.008338460 |
| C15H22O | 0.012028009 | 0.014941685 | 0.013076718 | 0.010817854 | 0.006851583 | 0.008537354 | 0.000000000 | 0.000000000 | 0.005329060 | 0.011906603 | 0.017021843 | 0.020268593 |
| C6H5NO6S | 0.004623506 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011874297 | 0.000000000 |
| C11H9NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009649992 | 0.000000000 | 0.000000000 | 0.007766313 | 0.005774607 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H9NO4 | 0.000000000 | 0.000000000 | 0.004179416 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004803653 | 0.000000000 | 0.005048846 | 0.000000000 | 0.000000000 |
| C12H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006018391 | 0.005237087 | 0.006659168 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H13NO6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H13NO3 | 0.008937254 | 0.011042117 | 0.011568270 | 0.008442653 | 0.012653769 | 0.010818370 | 0.008167517 | 0.008259714 | 0.005774659 | 0.010823222 | 0.013919688 | 0.000000000 |
| C9H17NO5 | 0.029185119 | 0.008337739 | 0.008074655 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007039911 | 0.016295792 | 0.000000000 |
| C13H17NO2 | 0.005927868 | 0.005516889 | 0.004695874 | 0.000000000 | 0.008025605 | 0.000000000 | 0.000000000 | 0.005458626 | 0.000000000 | 0.006485981 | 0.000000000 | 0.000000000 |
| C11H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006726698 | 0.000000000 | 0.006203883 | 0.004189678 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.024828341 | 0.022043357 | 0.021226908 | 0.037683841 | 0.043503587 | 0.052593424 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007037740 | 0.007608273 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O5 | 0.004501153 | 0.000000000 | 0.005556874 | 0.000000000 | 0.014584513 | 0.007590160 | 0.008481571 | 0.010927180 | 0.012065177 | 0.006146801 | 0.000000000 | 0.000000000 |
| C12H12S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005725203 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H12O5S | 0.005891293 | 0.009373225 | 0.009317691 | 0.018003243 | 0.029300809 | 0.025450222 | 0.029705009 | 0.029988727 | 0.020841897 | 0.007663842 | 0.000000000 | 0.000000000 |
| C12H12O2S | 0.047396700 | 0.048991744 | 0.040090132 | 0.119039080 | 0.114142910 | 0.132113731 | 0.221238798 | 0.200651483 | 0.308825318 | 0.043539012 | 0.057067228 | 0.092927313 |
| C12H12O4 | 0.025827667 | 0.029780642 | 0.029852984 | 0.159950297 | 0.126457304 | 0.156157737 | 0.236718951 | 0.134279184 | 0.127402836 | 0.029900848 | 0.029302297 | 0.014678957 |
| C9H16O4S | 0.077716567 | 0.107864827 | 0.105200510 | 0.231465574 | 0.214724062 | 0.255918809 | 0.209974543 | 0.151622712 | 0.100899700 | 0.077348257 | 0.082475265 | 0.023769627 |
| C13H16OS | 0.008070098 | 0.010867616 | 0.011053621 | 0.019912790 | 0.022999072 | 0.017948732 | 0.025110437 | 0.024054738 | 0.024288661 | 0.011501107 | 0.020407647 | 0.017969945 |
| C9H16O6 | 0.009688495 | 0.004762974 | 0.003946826 | 0.010458032 | 0.000000000 | 0.012726866 | 0.005901277 | 0.004232333 | 0.005687506 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H16O3 | 0.043988104 | 0.053476772 | 0.049889861 | 0.148004720 | 0.143771863 | 0.137920213 | 0.137481436 | 0.140254957 | 0.148448719 | 0.050449079 | 0.050343973 | 0.032838092 |
| C10H20O3S | 0.061776133 | 0.088235254 | 0.088401096 | 0.018218107 | 0.016072274 | 0.020715573 | 0.006937768 | 0.006200523 | 0.000000000 | 0.069468455 | 0.074952010 | 0.026923919 |
| C17H16 | 0.011122528 | 0.018043203 | 0.018544031 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.023421923 | 0.032745082 | 0.039585369 |
| C14H20S | 0.005442037 | 0.010103715 | 0.007506897 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008187572 | 0.000000000 | 0.017267303 |
| C10H20O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.078372015 | 0.081085020 | 0.062186443 |
| C14H20O2 | 0.201058401 | 0.171601936 | 0.126149885 | 0.132517737 | 0.094824368 | 0.079135272 | 0.076400810 | 0.072312305 | 0.092361319 | 0.140144575 | 0.208067824 | 0.825547875 |
| C15H24O | 0.013528702 | 0.011177643 | 0.010419354 | 0.008999678 | 0.007850318 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004649659 | 0.010950622 | 0.014667759 | 0.013067061 |
| C10H7NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005520494 | 0.004330603 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H11NO2S | 0.014535802 | 0.019828815 | 0.018573046 | 0.015831385 | 0.021264973 | 0.017185344 | 0.007055226 | 0.012510748 | 0.008732052 | 0.013778491 | 0.000000000 | 0.000000000 |
| C11H11NO4 | 0.009888307 | 0.007903805 | 0.008281214 | 0.000000000 | 0.011210504 | 0.000000000 | 0.000000000 | 0.012420436 | 0.006807981 | 0.009673586 | 0.000000000 | 0.000000000 |
| C12H15NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004578174 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H15NO6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO3 | 0.011571192 | 0.010513498 | 0.009945257 | 0.000000000 | 0.011822664 | 0.009299036 | 0.000000000 | 0.007921302 | 0.000000000 | 0.012172273 | 0.000000000 | 0.000000000 |
| C13H19NO2 | 0.011768163 | 0.004908322 | 0.004872802 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006235493 | 0.000000000 | 0.000000000 |
| C10H6O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008584037 | 0.006586490 | 0.017471521 | 0.015027091 | 0.017485214 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007354696 | 0.006550593 | 0.009027459 | 0.007748530 | 0.007375197 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O3S | 0.010600130 | 0.015893801 | 0.015020988 | 0.042228597 | 0.050662923 | 0.054119794 | 0.078017021 | 0.074732336 | 0.068040321 | 0.015298230 | 0.017931991 | 0.013146695 |
| C8H14O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O5 | 0.010163326 | 0.011466105 | 0.011702365 | 0.022394111 | 0.033482753 | 0.023460827 | 0.026010366 | 0.035827560 | 0.031549557 | 0.012415709 | 0.017429685 | 0.000000000 |
| C8H14O5S | 0.021168058 | 0.025613881 | 0.026729998 | 0.016322190 | 0.022464910 | 0.018204866 | 0.019921241 | 0.024980914 | 0.015256003 | 0.021767128 | 0.019750982 | 0.000000000 |
| C15H10O2 | 0.007238058 | 0.008591956 | 0.010514918 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009635894 | 0.000000000 | 0.000000000 |
| C12H14O2S | 0.010696844 | 0.012340617 | 0.010774288 | 0.036143523 | 0.038317618 | 0.044796475 | 0.063739108 | 0.055623929 | 0.071865686 | 0.011008134 | 0.014751327 | 0.012914645 |
| C12H14O4 | 0.056966136 | 0.063317630 | 0.052641677 | 0.280626171 | 0.192247257 | 0.229110923 | 0.488224268 | 0.244735021 | 0.255351004 | 0.055529241 | 0.061719950 | 0.028167533 |
| C9H18O4S | 0.141738533 | 0.192134024 | 0.199374351 | 0.045360473 | 0.034939464 | 0.038688086 | 0.015590142 | 0.014519946 | 0.010369930 | 0.153212303 | 0.134858375 | 0.043531683 |
| C11H14N2O3 | 0.000000000 | 0.005583594 | 0.003921417 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007177686 | 0.000000000 | 0.000000000 |
| C16H14O | 0.000000000 | 0.009843526 | 0.006172909 | 0.000000000 | 0.009472655 | 0.006422851 | 0.006181650 | 0.008794372 | 0.005239038 | 0.007938735 | 0.000000000 | 0.011776385 |
| C13H18OS | 0.010845478 | 0.011965597 | 0.011861788 | 0.012364631 | 0.010429555 | 0.010121274 | 0.017504592 | 0.012480570 | 0.012243444 | 0.013190281 | 0.016641784 | 0.018530001 |
| C13H18O3 | 0.045666055 | 0.052610609 | 0.051041766 | 0.192725345 | 0.171544301 | 0.199494411 | 0.207012787 | 0.181475689 | 0.217280518 | 0.048592327 | 0.057872662 | 0.033356813 |
| C10H22O3S | 0.038977647 | 0.056432308 | 0.057816546 | 0.000000000 | 0.008225243 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.049602566 | 0.054996653 | 0.026329758 |
| C17H18 | 0.000000000 | 0.005954757 | 0.006049511 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007842800 | 0.000000000 | 0.017255014 |
| C14H22S | 0.008110000 | 0.012601274 | 0.008846297 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012085794 | 0.017713245 | 0.024014988 |
| C15H26O | 0.006706499 | 0.006424642 | 0.004828513 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006165869 | 0.000000000 | 0.013134270 |
| C10H9NO3S | 0.005549142 | 0.005118842 | 0.006547233 | 0.011147348 | 0.011185141 | 0.008895083 | 0.005443782 | 0.010226728 | 0.006997571 | 0.006687004 | 0.000000000 | 0.000000000 |
| C10H9NO5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005225549 | 0.000000000 | 0.000000000 |
| C11H13NO2S | 0.007615143 | 0.013131416 | 0.014971991 | 0.161700160 | 0.248985789 | 0.159903096 | 0.040413086 | 0.091729499 | 0.047178263 | 0.024078250 | 0.000000000 | 0.000000000 |
| C11H13NO4 | 0.010932516 | 0.009082730 | 0.011662743 | 0.000000000 | 0.013277224 | 0.000000000 | 0.000000000 | 0.007463008 | 0.004046212 | 0.011027707 | 0.000000000 | 0.000000000 |
| C15H13NO | 0.005030940 | 0.007199538 | 0.007878508 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009621812 | 0.000000000 | 0.000000000 |
| C12H17NO3 | 0.024012196 | 0.011546347 | 0.008505070 | 0.000000000 | 0.009111365 | 0.000000000 | 0.005963672 | 0.004210266 | 0.000000000 | 0.008018926 | 0.018158675 | 0.000000000 |
| C9H21NO5 | 0.000000000 | 0.004674821 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H21NO2 | 0.021004601 | 0.008366250 | 0.000000000 | 0.008481623 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004806414 | 0.000000000 | 0.000000000 |
| C14H25NO | 0.007398666 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006144880 | 0.005477110 | 0.005040158 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.024558314 | 0.022220021 | 0.027112165 | 0.035654943 | 0.034328712 | 0.030624522 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004288739 | 0.000000000 | 0.000000000 |
| C7H12O6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H13O6P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005109499 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H12O3S | 0.012301373 | 0.015075033 | 0.014429219 | 0.054627305 | 0.069147947 | 0.078653816 | 0.175791408 | 0.123082272 | 0.160359394 | 0.013828752 | 0.000000000 | 0.010120110 |
| C8H16O3S2 | 0.005271025 | 0.005667863 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004527851 | 0.000000000 | 0.000000000 |
| C15H12S | 0.006065914 | 0.005709332 | 0.005281098 | 0.020270400 | 0.023671586 | 0.020092920 | 0.029701740 | 0.019910573 | 0.020871937 | 0.005331001 | 0.000000000 | 0.000000000 |
| C11H12O5 | 0.014915172 | 0.017724183 | 0.018044743 | 0.058988026 | 0.048279667 | 0.073841147 | 0.104319299 | 0.064867539 | 0.088161201 | 0.017970736 | 0.021708608 | 0.000000000 |
| C8H16O5S | 0.037039210 | 0.049786157 | 0.054456046 | 0.019860772 | 0.020582672 | 0.023794998 | 0.014814467 | 0.017506390 | 0.010694998 | 0.038222597 | 0.038879003 | 0.010263232 |
| C15H12O2 | 0.006252122 | 0.009222114 | 0.008052898 | 0.017647416 | 0.015019531 | 0.016152189 | 0.014042534 | 0.014515063 | 0.011899401 | 0.014519114 | 0.013106789 | 0.000000000 |
| C12H16O2S | 0.006862604 | 0.010945434 | 0.010276266 | 0.024010062 | 0.019921523 | 0.021130505 | 0.027816155 | 0.021171753 | 0.024997570 | 0.010407458 | 0.018756455 | 0.013423849 |
| C12H16O4 | 0.035950770 | 0.037152494 | 0.035956688 | 0.101868186 | 0.084623638 | 0.103516226 | 0.191996212 | 0.121553651 | 0.164067280 | 0.039219399 | 0.041917002 | 0.019986710 |
| C9H20O4S | 0.058658432 | 0.083265514 | 0.089479930 | 0.009244878 | 0.009918714 | 0.012347859 | 0.000000000 | 0.000000000 | 0.000000000 | 0.061309890 | 0.053782955 | 0.019156824 |
| C16H16O | 0.014890167 | 0.020487869 | 0.018763519 | 0.014082952 | 0.010760695 | 0.009413011 | 0.011417954 | 0.008141565 | 0.007891326 | 0.021014967 | 0.030603443 | 0.027090111 |
| C13H20OS | 0.007510720 | 0.006273970 | 0.006559237 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004441351 | 0.007452556 | 0.000000000 | 0.011668739 |
| C13H20O3 | 0.071290547 | 0.080596683 | 0.076455389 | 0.070154165 | 0.064106638 | 0.061371123 | 0.082960095 | 0.078611798 | 0.110277683 | 0.072745795 | 0.083762175 | 0.066378096 |
| C17H20 | 0.009702036 | 0.010225002 | 0.008445145 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010801522 | 0.013842654 | 0.023389045 |
| C14H24S | 0.007713061 | 0.011464689 | 0.010263838 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010966531 | 0.015616365 | 0.026473327 |
| C14H24O2 | 0.584092682 | 0.619282035 | 0.447068254 | 0.248176000 | 0.160596802 | 0.131768978 | 0.055902835 | 0.071163019 | 0.070509952 | 0.489959721 | 1.023267137 | 3.655610035 |
| C15H28O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H7NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005698348 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NO3S | 0.000000000 | 0.000000000 | 0.004713326 | 0.000000000 | 0.016451859 | 0.010554210 | 0.006680371 | 0.010802078 | 0.006270061 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H11NO5 | 0.004601725 | 0.006268197 | 0.005439882 | 0.000000000 | 0.008928448 | 0.000000000 | 0.000000000 | 0.006217807 | 0.000000000 | 0.005542512 | 0.000000000 | 0.000000000 |
| C14H11NO2 | 0.008926117 | 0.004961417 | 0.004722733 | 0.000000000 | 0.010878418 | 0.007889740 | 0.000000000 | 0.007710019 | 0.000000000 | 0.010974229 | 0.000000000 | 0.000000000 |
| C11H15NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.008941136 | 0.010067453 | 0.007823985 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H15NO4 | 0.008673714 | 0.005980035 | 0.005515697 | 0.000000000 | 0.010736403 | 0.000000000 | 0.000000000 | 0.009888404 | 0.000000000 | 0.005955063 | 0.000000000 | 0.000000000 |
| C12H19NO3 | 0.076476273 | 0.026257173 | 0.019039506 | 0.019975098 | 0.015449910 | 0.006784075 | 0.005102622 | 0.000000000 | 0.000000000 | 0.020497444 | 0.031034713 | 0.000000000 |
| C13H23NO2 | 0.041057812 | 0.016304228 | 0.011330421 | 0.010814420 | 0.011043859 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004680651 | 0.009081819 | 0.018454620 | 0.000000000 |
| C14H27NO | 0.008111697 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.011843376 | 0.000000000 | 0.000000000 | 0.006077372 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O4S | 0.009786531 | 0.012657285 | 0.013318698 | 0.074293776 | 0.075680147 | 0.096738398 | 0.083176530 | 0.058768780 | 0.057717155 | 0.010146835 | 0.015123791 | 0.009635621 |
| C14H10OS | 0.004282394 | 0.005750221 | 0.005901770 | 0.000000000 | 0.007576647 | 0.009125989 | 0.009337118 | 0.020308706 | 0.013618160 | 0.004556881 | 0.000000000 | 0.000000000 |
| C10H10O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009583418 | 0.008892179 | 0.012577246 | 0.009078154 | 0.009131887 | 0.005752329 | 0.000000000 | 0.000000000 |
| C7H14O6S | 0.000000000 | 0.000000000 | 0.005323669 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005735504 | 0.000000000 | 0.000000000 |
| C14H10O3 | 0.000000000 | 0.005379127 | 0.005258840 | 0.018490252 | 0.015657979 | 0.017104953 | 0.026385876 | 0.025985670 | 0.023654774 | 0.006414049 | 0.000000000 | 0.000000000 |
| C11H14O3S | 0.019962411 | 0.026266195 | 0.025696452 | 0.029510905 | 0.025059055 | 0.029380246 | 0.039478126 | 0.022608690 | 0.022401428 | 0.020592711 | 0.018637961 | 0.000000000 |
| C11H14O5 | 0.014996250 | 0.018058259 | 0.016024912 | 0.026702922 | 0.030007558 | 0.030013522 | 0.060121075 | 0.068204935 | 0.096362185 | 0.024283458 | 0.024251954 | 0.000000000 |
| C8H18O5S | 0.009267422 | 0.011591387 | 0.013518749 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010305166 | 0.016504813 | 0.000000000 |
| C10H14N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004308584 | 0.000000000 | 0.000000000 |
| C15H14O2 | 0.013875564 | 0.016743583 | 0.013568758 | 0.060590778 | 0.048530788 | 0.047598380 | 0.094770254 | 0.075000611 | 0.069402108 | 0.023711007 | 0.024699586 | 0.026381455 |
| C12H18O2S | 0.014631059 | 0.015681566 | 0.015778064 | 0.026214029 | 0.016985556 | 0.021596207 | 0.026855270 | 0.017161084 | 0.015984570 | 0.014588582 | 0.020409380 | 0.024181133 |
| C12H18O4 | 0.148417210 | 0.143972889 | 0.127155669 | 0.377256011 | 0.365687813 | 0.347115436 | 0.595470377 | 0.438130588 | 0.544147817 | 0.116066778 | 0.117651137 | 0.073605889 |
| C11H18N2O3 | 0.005685161 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H18O | 0.024309242 | 0.028256088 | 0.031658825 | 0.017641378 | 0.015787230 | 0.014801007 | 0.009380460 | 0.009420461 | 0.010390220 | 0.032318255 | 0.043350932 | 0.042254411 |
| C13H22OS | 0.013299146 | 0.017193707 | 0.016840565 | 0.011946062 | 0.000000000 | 0.007467501 | 0.005959189 | 0.004696336 | 0.000000000 | 0.019528673 | 0.025413935 | 0.031920504 |
| C13H22O3 | 0.129712615 | 0.142298970 | 0.144730127 | 0.106787744 | 0.113821831 | 0.104727268 | 0.102345713 | 0.129921814 | 0.176863915 | 0.122370688 | 0.163667497 | 0.111482130 |
| C17H22 | 0.000000000 | 0.005748401 | 0.005339413 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005720470 | 0.013702830 | 0.014925252 |
| C14H26S | 0.000000000 | 0.006326793 | 0.005875336 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006161609 | 0.000000000 | 0.015478520 |
| C14H26O2 | 0.080673856 | 0.099439179 | 0.070607602 | 0.036792172 | 0.030369309 | 0.021031287 | 0.010831795 | 0.018585626 | 0.025926602 | 0.078028114 | 0.230025465 | 0.814569856 |
| C9H9NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005537167 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H9NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007490769 | 0.000000000 | 0.004797184 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H13NO3S | 0.000000000 | 0.000000000 | 0.004068458 | 0.000000000 | 0.009476538 | 0.000000000 | 0.000000000 | 0.007241332 | 0.006015832 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H13NO5 | 0.000000000 | 0.000000000 | 0.004445027 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H13NO2 | 0.004555721 | 0.000000000 | 0.005570005 | 0.000000000 | 0.007358767 | 0.000000000 | 0.000000000 | 0.006814031 | 0.004635220 | 0.007757068 | 0.000000000 | 0.000000000 |
| C15H17NO | 0.000000000 | 0.000000000 | 0.004116963 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006857997 | 0.016807603 | 0.010593112 |
| C12H21NO3 | 0.058260904 | 0.020740272 | 0.012763575 | 0.013325561 | 0.012209190 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012212269 | 0.026607066 | 0.000000000 |
| C11H21N3O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H25NO2 | 0.010292717 | 0.005614419 | 0.000000000 | 0.000000000 | 0.015094135 | 0.000000000 | 0.000000000 | 0.012642206 | 0.008618945 | 0.000000000 | 0.019650444 | 0.000000000 |
| C14H29NO | 0.004831571 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011070110 | 0.000000000 |
| C12H5OSP | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006535003 | 0.008902337 | 0.015301050 | 0.016819114 | 0.014269609 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005815367 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O5S | 0.000000000 | 0.000000000 | 0.004635785 | 0.009133330 | 0.014235386 | 0.010826466 | 0.011556608 | 0.035013848 | 0.012193765 | 0.006455675 | 0.000000000 | 0.000000000 |
| C6H12O5S2 | 0.007891140 | 0.009594054 | 0.008230202 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.014708102 | 0.015919339 | 0.016036179 | 0.014947024 | 0.019956409 | 0.021202237 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008987636 | 0.000000000 | 0.004930225 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006780285 | 0.004724285 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O4S | 0.030770702 | 0.037086216 | 0.036835542 | 0.038156747 | 0.043843648 | 0.046071695 | 0.030283091 | 0.047430901 | 0.033546455 | 0.035896508 | 0.062307307 | 0.044839777 |
| C14H12OS | 0.000000000 | 0.005857300 | 0.007169347 | 0.032613417 | 0.069526158 | 0.045341047 | 0.059613030 | 0.083257519 | 0.063307021 | 0.007052610 | 0.000000000 | 0.011895290 |
| C10H12O6 | 0.007198368 | 0.007323998 | 0.006872484 | 0.013525505 | 0.027619083 | 0.022310273 | 0.030925373 | 0.041663645 | 0.030426153 | 0.006771431 | 0.014867380 | 0.000000000 |
| C11H8N4O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005389735 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12O3 | 0.009090691 | 0.011064777 | 0.012608248 | 0.036795749 | 0.032231831 | 0.041736425 | 0.026182542 | 0.031032417 | 0.022658004 | 0.013829627 | 0.015505476 | 0.000000000 |
| C11H16O3S | 0.025414285 | 0.034148925 | 0.033485689 | 0.042755360 | 0.038213396 | 0.042632723 | 0.052251757 | 0.039912636 | 0.034714980 | 0.026575438 | 0.023633563 | 0.012149702 |
| C15H16S | 0.000000000 | 0.000000000 | 0.004103078 | 0.033928300 | 0.017427756 | 0.025077132 | 0.025614411 | 0.021631080 | 0.017141975 | 0.000000000 | 0.000000000 | 0.008869905 |
| C11H16O5 | 0.046446280 | 0.058334591 | 0.041310450 | 0.081182300 | 0.095869877 | 0.099547217 | 0.241932867 | 0.243184835 | 0.335989140 | 0.052424022 | 0.055603097 | 0.015450228 |
| C10H16N2O4 | 0.023974949 | 0.008642698 | 0.006517856 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011098658 | 0.018319679 | 0.000000000 |
| C15H16O2 | 0.027118651 | 0.026663496 | 0.025017251 | 0.036716533 | 0.031374426 | 0.030376967 | 0.025540326 | 0.027335838 | 0.022253313 | 0.035081659 | 0.046194186 | 0.074041950 |
| C12H20O2S | 0.027720183 | 0.036588853 | 0.031648286 | 0.066527785 | 0.036798127 | 0.037975958 | 0.046553795 | 0.025251284 | 0.022449152 | 0.028542069 | 0.028795254 | 0.031625221 |
| C12H20O4 | 0.372588743 | 0.363959694 | 0.326676096 | 0.625158326 | 0.598011057 | 0.525129567 | 0.979907314 | 0.829584860 | 1.244981693 | 0.279349947 | 0.264390510 | 0.124916640 |
| C11H20N2O3 | 0.007875184 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005262901 | 0.000000000 | 0.000000000 |
| C16H20O | 0.009946519 | 0.013042829 | 0.012483324 | 0.012085323 | 0.009096014 | 0.009750152 | 0.005355467 | 0.007886953 | 0.007245782 | 0.011883317 | 0.015196168 | 0.020343826 |
| C13H24OS | 0.006772392 | 0.009009919 | 0.006786640 | 0.009511863 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011826074 | 0.025709825 | 0.029196022 |
| C13H24O3 | 0.056042159 | 0.071252643 | 0.069784585 | 0.052428330 | 0.056850386 | 0.046607709 | 0.046998505 | 0.055130003 | 0.087956357 | 0.058283465 | 0.082630227 | 0.068013410 |
| C17H24 | 0.006108243 | 0.008034796 | 0.006749175 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008071400 | 0.016762838 | 0.024350272 |
| C14H28O2 | 0.010800539 | 0.008046665 | 0.006935127 | 0.016601388 | 0.008988922 | 0.013013904 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005644330 | 0.030681098 | 0.113851540 |
| C12H7NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007064792 | 0.006660688 | 0.000000000 | 0.008454173 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007722862 | 0.003779551 | 0.006900433 | 0.000000000 | 0.000000000 |
| C13H11NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005905714 | 0.000000000 | 0.006501675 | 0.004352386 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H11NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010825121 | 0.008304578 | 0.008716392 | 0.000000000 | 0.006885600 | 0.004876265 | 0.005048369 | 0.000000000 | 0.000000000 |
| C10H15NO5 | 0.010065770 | 0.006300746 | 0.004364218 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004874126 | 0.000000000 | 0.000000000 |
| C9H15N3O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H15NO2 | 0.006370690 | 0.011630608 | 0.010728086 | 0.011766704 | 0.009585661 | 0.007557112 | 0.000000000 | 0.007104517 | 0.000000000 | 0.012349044 | 0.015684446 | 0.010355068 |
| C15H19NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004435570 | 0.000000000 | 0.000000000 |
| C12H6O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006200415 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007794678 | 0.000000000 | 0.000000000 | 0.005125134 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011783511 | 0.006832751 | 0.006211341 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O5S | 0.017918931 | 0.027826559 | 0.025694132 | 0.033740364 | 0.117319756 | 0.066640590 | 0.031537157 | 0.206109530 | 0.097697778 | 0.023405366 | 0.033800107 | 0.017695409 |
| C13H10O2S | 0.000000000 | 0.005053341 | 0.000000000 | 0.033284503 | 0.045086503 | 0.046133088 | 0.053884566 | 0.055562781 | 0.047694323 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O4 | 0.006561559 | 0.007555428 | 0.007290082 | 0.024576377 | 0.023231625 | 0.024865689 | 0.034896717 | 0.029033327 | 0.025297229 | 0.009103830 | 0.000000000 | 0.000000000 |
| C10H14O4S | 0.041894135 | 0.051767471 | 0.057636868 | 0.043353767 | 0.038040898 | 0.039995476 | 0.039845427 | 0.031034505 | 0.025597514 | 0.043441746 | 0.075302447 | 0.060665473 |
| C14H14OS | 0.008629331 | 0.013222852 | 0.014272683 | 0.149027789 | 0.085004954 | 0.135012072 | 0.125208523 | 0.091208756 | 0.074223614 | 0.013400720 | 0.018891626 | 0.024054835 |
| C10H14O6 | 0.015176314 | 0.016918212 | 0.016238247 | 0.026644441 | 0.034487115 | 0.036322657 | 0.035390791 | 0.040637388 | 0.039756476 | 0.022280695 | 0.020520108 | 0.000000000 |
| C14H14O3 | 0.021700039 | 0.025844732 | 0.026962909 | 0.048692370 | 0.047844924 | 0.051053024 | 0.037679895 | 0.046724314 | 0.044195440 | 0.029621757 | 0.027829227 | 0.013377550 |
| C11H18O3S | 0.054626506 | 0.068649301 | 0.067311583 | 0.173606249 | 0.136183998 | 0.143507385 | 0.169409285 | 0.115111706 | 0.087253260 | 0.054594789 | 0.051437327 | 0.030121675 |
| C15H18S | 0.012301197 | 0.013566375 | 0.012960263 | 0.016324211 | 0.013660184 | 0.014819033 | 0.014356786 | 0.012221428 | 0.013406773 | 0.016431465 | 0.017263254 | 0.032372906 |
| C11H18O5 | 0.100700664 | 0.114699168 | 0.105035361 | 0.298929806 | 0.283873804 | 0.357798868 | 0.541064373 | 0.359310731 | 0.511669100 | 0.092364152 | 0.098234534 | 0.022121668 |
| C10H18N2O4 | 0.011116060 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.019539343 | 0.000000000 |
| C15H18O2 | 0.122126514 | 0.125437838 | 0.093260766 | 0.105051019 | 0.060996148 | 0.057716807 | 0.049487663 | 0.036607298 | 0.040148199 | 0.105025789 | 0.145774546 | 0.406257101 |
| C12H22O2S | 0.006464974 | 0.011059401 | 0.010316622 | 0.000000000 | 0.000000000 | 0.006836474 | 0.007761285 | 0.000000000 | 0.005940545 | 0.008154290 | 0.000000000 | 0.013361723 |
| C12H22O4 | 0.200554247 | 0.218485088 | 0.200732259 | 0.375677985 | 0.354454208 | 0.370814608 | 0.476904160 | 0.558205350 | 0.863129516 | 0.181938422 | 0.183105668 | 0.057206164 |
| C11H22N2O3 | 0.007566018 | 0.009924376 | 0.007452682 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011558816 | 0.000000000 | 0.000000000 |
| C16H22O | 0.012623507 | 0.014699527 | 0.014841506 | 0.009588372 | 0.000000000 | 0.010172039 | 0.006454162 | 0.005299015 | 0.005488524 | 0.016387746 | 0.016439641 | 0.026655966 |
| C13H26O3 | 0.019100692 | 0.020779522 | 0.021269440 | 0.010652157 | 0.012895820 | 0.000000000 | 0.004960725 | 0.007797033 | 0.009819785 | 0.021034853 | 0.039171649 | 0.027781606 |
| C17H26 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016757735 |
| C12H9NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009485399 | 0.000000000 | 0.000000000 | 0.009415199 | 0.005223376 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H9NO4 | 0.004710694 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005071521 | 0.000000000 | 0.005676828 | 0.000000000 | 0.000000000 |
| C9H13NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004945148 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007744118 | 0.005461680 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NO3 | 0.011997991 | 0.013445187 | 0.014851803 | 0.011202265 | 0.015270759 | 0.014262728 | 0.006994655 | 0.014532845 | 0.007679541 | 0.014142642 | 0.013285191 | 0.000000000 |
| C10H17NO5 | 0.030781423 | 0.011090212 | 0.005898994 | 0.010990879 | 0.010167354 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008170489 | 0.015642247 | 0.000000000 |
| C14H17NO2 | 0.006840293 | 0.008014714 | 0.007909881 | 0.000000000 | 0.007494272 | 0.006760000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008241221 | 0.000000000 | 0.009934270 |
| C8H8O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004577427 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004249125 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O6S | 0.006073299 | 0.008663274 | 0.008387310 | 0.000000000 | 0.009164095 | 0.000000000 | 0.000000000 | 0.007887550 | 0.000000000 | 0.008482935 | 0.012575810 | 0.000000000 |
| C12H8O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.018983905 | 0.033374458 | 0.033227474 | 0.035788468 | 0.038276944 | 0.035802522 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004901230 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H8S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007695743 | 0.000000000 | 0.003936750 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O5 | 0.000000000 | 0.000000000 | 0.004678090 | 0.000000000 | 0.000000000 | 0.007657637 | 0.011773693 | 0.009694202 | 0.009547456 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O5S | 0.015035383 | 0.015546714 | 0.014555893 | 0.270179374 | 0.178047670 | 0.128429185 | 0.490476379 | 0.380102742 | 0.303197060 | 0.012614838 | 0.028158300 | 0.018652999 |
| C13H12O2S | 0.018286513 | 0.022925604 | 0.022027538 | 0.077992005 | 0.092363649 | 0.093610256 | 0.141745116 | 0.151246120 | 0.167104083 | 0.021232165 | 0.025920380 | 0.020802481 |
| C13H12O4 | 0.016840004 | 0.019921174 | 0.020552604 | 0.047189729 | 0.040699115 | 0.045551555 | 0.073714876 | 0.048380158 | 0.044432415 | 0.022087517 | 0.016611470 | 0.009065571 |
| C10H16O4S | 0.028039874 | 0.040841801 | 0.038252026 | 0.042683691 | 0.042692973 | 0.046769346 | 0.064163304 | 0.048366265 | 0.046077442 | 0.030937185 | 0.032662886 | 0.013075931 |
| C12H12N2O3 | 0.012224726 | 0.022404499 | 0.024208745 | 0.000000000 | 0.010517565 | 0.011930921 | 0.006051042 | 0.006202618 | 0.004699744 | 0.014992308 | 0.000000000 | 0.000000000 |
| C17H12O | 0.000000000 | 0.005291760 | 0.005918726 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004970773 | 0.000000000 | 0.000000000 |
| C14H16OS | 0.008946769 | 0.011725082 | 0.010296710 | 0.043014076 | 0.055151996 | 0.049584892 | 0.065546655 | 0.058705688 | 0.054302570 | 0.010129714 | 0.022687341 | 0.022112570 |
| C10H16O6 | 0.019833343 | 0.021524101 | 0.014455951 | 0.034986449 | 0.044707515 | 0.049808965 | 0.048666720 | 0.073367079 | 0.064120486 | 0.020821378 | 0.021977869 | 0.000000000 |
| C14H16O3 | 0.052194102 | 0.070910055 | 0.074688361 | 0.138618886 | 0.082384137 | 0.106333771 | 0.097807943 | 0.079982093 | 0.083886882 | 0.047740808 | 0.050357138 | 0.029584815 |
| C11H20O3S | 0.193853807 | 0.232574080 | 0.220483568 | 0.457821224 | 0.299827799 | 0.303478805 | 0.283042607 | 0.179373808 | 0.130913643 | 0.180000874 | 0.173016362 | 0.111314943 |
| C18H16 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005364805 | 0.000000000 | 0.000000000 |
| C15H20S | 0.029149896 | 0.036388484 | 0.034227210 | 0.013196292 | 0.008913770 | 0.007528686 | 0.000000000 | 0.006167921 | 0.000000000 | 0.033759166 | 0.048071611 | 0.064955450 |
| C11H20O5 | 0.049888272 | 0.044000292 | 0.036552135 | 0.075137882 | 0.072466560 | 0.085894470 | 0.124651184 | 0.081205054 | 0.139060441 | 0.032095648 | 0.039148353 | 0.000000000 |
| C10H20N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005465846 | 0.000000000 | 0.000000000 |
| C15H20O2 | 0.201931503 | 0.189872203 | 0.146886026 | 0.143746062 | 0.092095194 | 0.081978092 | 0.074241948 | 0.067474784 | 0.083181910 | 0.153330690 | 0.216632854 | 0.708964940 |
| C12H24O4 | 0.005026635 | 0.000000000 | 0.003893871 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005818533 | 0.000000000 | 0.005815276 | 0.004487629 | 0.000000000 | 0.000000000 |
| C16H24O | 0.010524094 | 0.011417248 | 0.011909249 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.003985857 | 0.011567714 | 0.017359342 | 0.016596016 |
| C11H7NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004272783 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11NO2S | 0.426101756 | 0.183745975 | 0.277482646 | 0.025189947 | 0.037084869 | 0.023730265 | 0.017608838 | 0.021163819 | 0.015482298 | 0.316370233 | 0.246576358 | 0.049707465 |
| C12H11NO4 | 0.006366358 | 0.005725280 | 0.009003986 | 0.000000000 | 0.008775794 | 0.000000000 | 0.000000000 | 0.007447448 | 0.004847603 | 0.007377871 | 0.000000000 | 0.000000000 |
| C8H15N3O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H15NO3 | 0.007959731 | 0.011769762 | 0.011922677 | 0.000000000 | 0.012471713 | 0.010254319 | 0.007802076 | 0.008541880 | 0.005624455 | 0.012400466 | 0.000000000 | 0.000000000 |
| C10H19NO5 | 0.136452091 | 0.047696882 | 0.022509850 | 0.032213441 | 0.032208828 | 0.009180264 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015818452 | 0.057959438 | 0.000000000 |
| C14H19NO2 | 0.006386137 | 0.005547708 | 0.005144811 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005007264 | 0.000000000 | 0.008810771 |
| C15H23NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005031716 | 0.000000000 | 0.013758399 |
| C12H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008247866 | 0.009227279 | 0.007382178 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H10O6S | 0.000000000 | 0.000000000 | 0.003837928 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006184194 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O3S | 0.005986166 | 0.007809064 | 0.008720596 | 0.029043769 | 0.038160839 | 0.038608200 | 0.039858659 | 0.057457015 | 0.054931183 | 0.006616184 | 0.012988453 | 0.000000000 |
| C9H14O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O5 | 0.006943976 | 0.007270179 | 0.007448781 | 0.012747386 | 0.015055930 | 0.016123017 | 0.018482917 | 0.019969737 | 0.021443240 | 0.008978472 | 0.013693221 | 0.000000000 |
| C13H14S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004608284 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H14O5S | 0.025707696 | 0.031890110 | 0.031129254 | 0.073688000 | 0.081230172 | 0.078532147 | 0.094253253 | 0.075036809 | 0.054173971 | 0.035983758 | 0.031749276 | 0.000000000 |
| C13H14O2S | 0.096895616 | 0.097016872 | 0.076465277 | 0.123426299 | 0.118669188 | 0.114481224 | 0.190888852 | 0.160475900 | 0.276669833 | 0.087627024 | 0.115501375 | 0.263204792 |
| C9H14O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004448428 | 0.000000000 | 0.000000000 |
| C13H14O4 | 0.039664602 | 0.045424007 | 0.044778839 | 0.151308304 | 0.121603168 | 0.138720075 | 0.260253067 | 0.176096200 | 0.184078572 | 0.043998331 | 0.043010586 | 0.023693345 |
| C10H18O4S | 0.148884789 | 0.207624961 | 0.215785713 | 0.288788897 | 0.239250853 | 0.280957546 | 0.201823790 | 0.162087979 | 0.108851427 | 0.159690532 | 0.151499245 | 0.055559958 |
| C12H14N2O3 | 0.000000000 | 0.005339650 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H14O | 0.005155567 | 0.008201979 | 0.009361270 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010155451 | 0.000000000 | 0.009124145 |
| C14H18OS | 0.012005107 | 0.015873009 | 0.014373608 | 0.015723991 | 0.017597405 | 0.014885828 | 0.018911161 | 0.018288252 | 0.017147958 | 0.016691680 | 0.020050126 | 0.022815791 |
| C10H18O6 | 0.033749609 | 0.007037316 | 0.000000000 | 0.000000000 | 0.010833287 | 0.009649349 | 0.008239750 | 0.006546983 | 0.006853513 | 0.006073264 | 0.000000000 | 0.000000000 |
| C14H18O3 | 0.043560251 | 0.053714921 | 0.052978604 | 0.130377074 | 0.119578383 | 0.121768539 | 0.111446176 | 0.116311124 | 0.142195806 | 0.050167543 | 0.060247734 | 0.040564717 |
| C11H22O3S | 0.071144582 | 0.102133591 | 0.104239424 | 0.023916840 | 0.018759660 | 0.018656127 | 0.007465766 | 0.005608952 | 0.005241149 | 0.087222992 | 0.089274554 | 0.037715743 |
| C18H18 | 0.000000000 | 0.006940627 | 0.006470776 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009781704 | 0.013033974 | 0.016634582 |
| C15H22S | 0.006337186 | 0.009323269 | 0.006441093 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008894383 | 0.013357773 | 0.017028867 |
| C15H22O2 | 0.336962428 | 0.340089429 | 0.306482803 | 0.168381192 | 0.113379936 | 0.096009976 | 0.055091934 | 0.063391191 | 0.071538206 | 0.281565442 | 0.389123095 | 1.206726208 |
| C16H26O | 0.005955924 | 0.006618935 | 0.005313060 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012303981 |
| C7H9NO6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H9NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010723692 | 0.006698796 | 0.000000000 | 0.012577545 | 0.007647567 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H9NO5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004936918 | 0.000000000 | 0.000000000 |
| C8H13NO5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H13NO2S | 0.004649160 | 0.000000000 | 0.006770141 | 0.009574616 | 0.023291224 | 0.014604721 | 0.007501943 | 0.021652359 | 0.012073498 | 0.006228356 | 0.000000000 | 0.000000000 |
| C8H13NO7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H13NO4 | 0.008114230 | 0.009618563 | 0.012121546 | 0.010321251 | 0.012301815 | 0.008791034 | 0.000000000 | 0.009753027 | 0.005607663 | 0.011658393 | 0.000000000 | 0.000000000 |
| C13H17NO3 | 0.012990942 | 0.010643123 | 0.010181021 | 0.000000000 | 0.011496067 | 0.008637647 | 0.000000000 | 0.007169952 | 0.000000000 | 0.010870449 | 0.000000000 | 0.008219803 |
| C14H21NO2 | 0.023933053 | 0.013173858 | 0.009643575 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009223803 | 0.000000000 | 0.000000000 |
| C11H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007649268 | 0.000000000 | 0.004243434 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O4S | 0.006308954 | 0.006678434 | 0.008675726 | 0.016731922 | 0.019547799 | 0.017494714 | 0.039095379 | 0.034341376 | 0.033391195 | 0.007611721 | 0.000000000 | 0.000000000 |
| C12H12OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006576158 | 0.000000000 | 0.000000000 | 0.007877935 | 0.005331176 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H12O6S | 0.000000000 | 0.006854148 | 0.005249297 | 0.020868007 | 0.032843631 | 0.025171671 | 0.050417316 | 0.045229738 | 0.026275842 | 0.006269814 | 0.000000000 | 0.000000000 |
| C12H12O3S | 0.024850720 | 0.034474599 | 0.037293572 | 0.061217611 | 0.073671160 | 0.077521900 | 0.085428794 | 0.101082008 | 0.098643796 | 0.032416414 | 0.042073126 | 0.024898856 |
| C16H12S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008065144 | 0.007210583 | 0.012639231 | 0.016070282 | 0.018781880 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O5 | 0.021406280 | 0.023325379 | 0.024125272 | 0.041581336 | 0.042193099 | 0.043102408 | 0.059935994 | 0.063143073 | 0.057244079 | 0.023041445 | 0.025017068 | 0.000000000 |
| C9H16O5S | 0.048217219 | 0.065845687 | 0.066042649 | 0.050593430 | 0.058278232 | 0.058816732 | 0.052426484 | 0.044937939 | 0.032731938 | 0.049186350 | 0.050634567 | 0.013585643 |
| C11H12N2O4 | 0.000000000 | 0.004874265 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004584451 | 0.000000000 | 0.000000000 |
| C16H12O2 | 0.017489209 | 0.019033887 | 0.020037922 | 0.011241551 | 0.000000000 | 0.008495374 | 0.000000000 | 0.007022452 | 0.005306748 | 0.021256712 | 0.022864860 | 0.030495126 |
| C13H16O2S | 0.017295865 | 0.021288217 | 0.019694187 | 0.034961055 | 0.036066937 | 0.037880568 | 0.045756871 | 0.037600313 | 0.051630132 | 0.015690317 | 0.021788744 | 0.021903677 |
| C9H16O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008945313 | 0.000000000 | 0.000000000 |
| C13H16O4 | 0.099132256 | 0.099325045 | 0.086342012 | 0.266698592 | 0.210988855 | 0.194215154 | 0.376389585 | 0.262482425 | 0.330252597 | 0.089838273 | 0.092613061 | 0.039716195 |
| C10H20O4S | 0.147913266 | 0.204405873 | 0.211137916 | 0.045479604 | 0.037978178 | 0.039566015 | 0.015142455 | 0.011890789 | 0.007438120 | 0.178712080 | 0.170817845 | 0.060549368 |
| C12H16N2O3 | 0.000000000 | 0.005900798 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006347352 | 0.000000000 | 0.000000000 |
| C17H16O | 0.005800645 | 0.008571647 | 0.008941450 | 0.000000000 | 0.000000000 | 0.007019471 | 0.000000000 | 0.007153643 | 0.005035877 | 0.009438678 | 0.000000000 | 0.013404492 |
| C14H20OS | 0.009365057 | 0.009935696 | 0.010064854 | 0.000000000 | 0.007969676 | 0.009181047 | 0.006397844 | 0.006437950 | 0.005469984 | 0.013211912 | 0.015813014 | 0.016332970 |
| C14H20O3 | 0.069628812 | 0.077800419 | 0.078417309 | 0.125253821 | 0.110077207 | 0.111210882 | 0.116850292 | 0.105223424 | 0.142720050 | 0.073970877 | 0.076061785 | 0.060714773 |
| C11H24O3S | 0.045610686 | 0.057460160 | 0.065292747 | 0.000000000 | 0.000000000 | 0.007789148 | 0.000000000 | 0.000000000 | 0.000000000 | 0.059410013 | 0.062043598 | 0.032848192 |
| C18H20 | 0.000000000 | 0.000000000 | 0.005016616 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006118409 | 0.000000000 | 0.014228092 |
| C15H24S | 0.008035831 | 0.010421349 | 0.008753996 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011332913 | 0.000000000 | 0.021986482 |
| C15H24O2 | 0.534724079 | 0.596556082 | 0.431680723 | 0.191166346 | 0.122474279 | 0.099792968 | 0.032401249 | 0.049510181 | 0.041316190 | 0.539002613 | 1.060478270 | 3.625514203 |
| C16H28O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004624164 | 0.000000000 | 0.000000000 |
| C10H7NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004753876 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H11NO3S | 0.006229610 | 0.007700283 | 0.007312756 | 0.013341150 | 0.017157846 | 0.015542912 | 0.006530751 | 0.013549011 | 0.007496176 | 0.007905806 | 0.000000000 | 0.000000000 |
| C11H11NO5 | 0.005174273 | 0.006103326 | 0.005169094 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005924760 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO2S | 0.000000000 | 0.000000000 | 0.004880060 | 0.033509399 | 0.036388775 | 0.027136293 | 0.010981337 | 0.018520720 | 0.009692839 | 0.005757410 | 0.000000000 | 0.000000000 |
| C8H15NO7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO4 | 0.015424450 | 0.015552986 | 0.014482887 | 0.000000000 | 0.015618637 | 0.014227782 | 0.005639477 | 0.011335964 | 0.006913618 | 0.013502571 | 0.016177556 | 0.000000000 |
| C9H19NO4S | 0.006178655 | 0.008594585 | 0.004222291 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H15NO | 0.000000000 | 0.000000000 | 0.006276923 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007628066 | 0.000000000 | 0.000000000 |
| C13H19NO3 | 0.017060789 | 0.009964592 | 0.006411316 | 0.000000000 | 0.007612288 | 0.006648333 | 0.000000000 | 0.005461023 | 0.000000000 | 0.007151596 | 0.000000000 | 0.000000000 |
| C14H23NO2 | 0.017880772 | 0.006802264 | 0.006089488 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007052295 | 0.000000000 | 0.000000000 |
| C15H27NO | 0.005458201 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H6S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006279674 | 0.000000000 | 0.000000000 | 0.015915991 | 0.007209893 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012168220 | 0.012386163 | 0.010924271 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6N2O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011689866 | 0.000000000 |
| C11H10O4S | 0.005357127 | 0.007407379 | 0.006340352 | 0.016950513 | 0.022614097 | 0.026738262 | 0.031695447 | 0.030890106 | 0.030240248 | 0.007930446 | 0.000000000 | 0.000000000 |
| C13H6N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H10OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008845796 | 0.005144097 | 0.006124690 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O6 | 0.007285258 | 0.007857478 | 0.008655919 | 0.000000000 | 0.011358667 | 0.009657614 | 0.006651408 | 0.012076991 | 0.006793798 | 0.008789166 | 0.000000000 | 0.000000000 |
| C12H14OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006236757 | 0.004918669 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H14O6S | 0.009900831 | 0.011673254 | 0.012605792 | 0.000000000 | 0.008551265 | 0.011496477 | 0.005568625 | 0.006686675 | 0.004294444 | 0.009668074 | 0.000000000 | 0.000000000 |
| C15H10O3 | 0.009530262 | 0.010828391 | 0.011158977 | 0.000000000 | 0.000000000 | 0.007382812 | 0.006363233 | 0.006354897 | 0.005254869 | 0.007294033 | 0.000000000 | 0.000000000 |
| C12H14O3S | 0.031749184 | 0.036522187 | 0.035433181 | 0.065080020 | 0.102311468 | 0.085474595 | 0.109606695 | 0.105670183 | 0.117863855 | 0.032566767 | 0.031488785 | 0.015497100 |
| C8H14O8 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009540720 | 0.016591274 | 0.018652218 | 0.009119610 | 0.005237926 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H18O3S2 | 0.005500394 | 0.000000000 | 0.006073213 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004349203 | 0.000000000 | 0.000000000 |
| C16H14S | 0.006862796 | 0.005976282 | 0.007863792 | 0.012753450 | 0.015630525 | 0.013649570 | 0.036454833 | 0.020439578 | 0.029574458 | 0.009183194 | 0.000000000 | 0.010587723 |
| C12H14O5 | 0.025719609 | 0.032092518 | 0.032733288 | 0.074647137 | 0.070161901 | 0.089332572 | 0.128215821 | 0.086464471 | 0.113607699 | 0.043921836 | 0.042611963 | 0.010253863 |
| C9H18O5S | 0.074386040 | 0.106433970 | 0.115118083 | 0.034865779 | 0.031286933 | 0.041040033 | 0.025561105 | 0.028284470 | 0.015004263 | 0.082566723 | 0.076581343 | 0.020139451 |
| C11H14N2O4 | 0.000000000 | 0.000000000 | 0.004820155 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005851115 | 0.000000000 | 0.000000000 |
| C16H14O2 | 0.010631315 | 0.011525264 | 0.011543376 | 0.025278898 | 0.017593416 | 0.024936040 | 0.025989293 | 0.014727909 | 0.016264153 | 0.014049182 | 0.016913568 | 0.019001152 |
| C13H18O2S | 0.012278358 | 0.017046591 | 0.015187010 | 0.025549794 | 0.018776303 | 0.016757392 | 0.018356271 | 0.012799697 | 0.014152391 | 0.015530865 | 0.020399080 | 0.025385927 |
| C13H18O4 | 0.043880050 | 0.050419330 | 0.046570369 | 0.110827697 | 0.102766111 | 0.103381009 | 0.160230111 | 0.111562587 | 0.150085461 | 0.053404622 | 0.055992205 | 0.032279473 |
| C10H22O4S | 0.046271841 | 0.058662825 | 0.060494916 | 0.008999044 | 0.007804977 | 0.008525186 | 0.000000000 | 0.000000000 | 0.000000000 | 0.136850095 | 0.122635786 | 0.033907468 |
| C10H23O4P | 0.017545339 | 0.007506210 | 0.005770163 | 0.105304189 | 0.228513189 | 0.160198081 | 0.045479488 | 0.034169921 | 0.019156032 | 0.000000000 | 0.028851031 | 0.000000000 |
| C17H18O | 0.015107008 | 0.022265930 | 0.021239969 | 0.010809413 | 0.011281326 | 0.009879382 | 0.010418626 | 0.006100484 | 0.006873853 | 0.021602417 | 0.031365171 | 0.034816874 |
| C14H22OS | 0.009258232 | 0.013371018 | 0.010852815 | 0.008957779 | 0.000000000 | 0.006608413 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015103238 | 0.021137228 | 0.022575168 |
| C10H22O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006828740 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H22O3 | 0.131703090 | 0.157347874 | 0.159291697 | 0.086434349 | 0.082951605 | 0.076765122 | 0.071614597 | 0.078960144 | 0.104390423 | 0.138412633 | 0.160462158 | 0.147523335 |
| C18H22 | 0.006039383 | 0.006698885 | 0.005838950 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005942119 | 0.000000000 | 0.017595872 |
| C15H26S | 0.008182329 | 0.011243074 | 0.009909132 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010085774 | 0.013537792 | 0.022416251 |
| C15H26O2 | 0.352091314 | 0.424108566 | 0.315186618 | 0.092460094 | 0.067021500 | 0.052039236 | 0.016845426 | 0.035879321 | 0.034176714 | 0.377474840 | 1.002277823 | 3.377249691 |
| C16H30O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H9NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015058663 | 0.000000000 | 0.000000000 | 0.011914743 | 0.005561006 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H9NO3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004135035 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H13NO3S | 0.006634803 | 0.008312765 | 0.009720979 | 0.033936044 | 0.037301032 | 0.034319292 | 0.015356143 | 0.023532717 | 0.013108890 | 0.008224535 | 0.000000000 | 0.000000000 |
| C15H13NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H13NO5 | 0.006018975 | 0.007858762 | 0.007761687 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006017239 | 0.004299550 | 0.008606760 | 0.000000000 | 0.000000000 |
| C8H17NO5S | 0.005567833 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H13NO2 | 0.006009147 | 0.007418576 | 0.007392964 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005972090 | 0.000000000 | 0.012656138 | 0.013554578 | 0.010055394 |
| C12H17NO4 | 0.016626309 | 0.007431433 | 0.007185180 | 0.000000000 | 0.009033339 | 0.000000000 | 0.000000000 | 0.005123523 | 0.000000000 | 0.007535950 | 0.014595049 | 0.000000000 |
| C13H21NO3 | 0.032001105 | 0.013364385 | 0.010275741 | 0.011572827 | 0.008994656 | 0.006865646 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009280330 | 0.000000000 | 0.000000000 |
| C14H25NO2 | 0.020765476 | 0.006767268 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008485930 | 0.007474589 | 0.007631675 | 0.009056473 | 0.009720239 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H12O5S2 | 0.008771710 | 0.008215250 | 0.006398621 | 0.000000000 | 0.007052530 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005226853 | 0.000000000 | 0.000000000 |
| C11H4N4O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H12O4S | 0.012355851 | 0.017807034 | 0.017210799 | 0.046121424 | 0.048470238 | 0.070825116 | 0.071896934 | 0.061048856 | 0.061138656 | 0.015472362 | 0.018771135 | 0.011815490 |
| C11H12O6 | 0.006712972 | 0.007893548 | 0.008731409 | 0.011054260 | 0.013329893 | 0.014353945 | 0.015320349 | 0.015146913 | 0.021018400 | 0.011946659 | 0.000000000 | 0.000000000 |
| C8H16O6S | 0.008152345 | 0.006590701 | 0.009695443 | 0.012735774 | 0.007276021 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012414738 | 0.000000000 | 0.000000000 |
| C10H12N2O5 | 0.005228859 | 0.000000000 | 0.003995638 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004728537 | 0.000000000 | 0.000000000 |
| C15H12O3 | 0.013469432 | 0.017455701 | 0.018317047 | 0.023029664 | 0.022198947 | 0.022537493 | 0.022673434 | 0.027689019 | 0.019869511 | 0.013414885 | 0.015302389 | 0.007759885 |
| C12H16O3S | 0.022298998 | 0.028865518 | 0.028785455 | 0.027337501 | 0.021057395 | 0.029264551 | 0.038277087 | 0.020386122 | 0.023995126 | 0.023591329 | 0.024728016 | 0.014979322 |
| C16H16S | 0.006523244 | 0.007822526 | 0.008292395 | 0.000000000 | 0.006968727 | 0.006530936 | 0.011042769 | 0.008351292 | 0.009472269 | 0.013354291 | 0.018066555 | 0.021205135 |
| C12H16O5 | 0.035260502 | 0.043046871 | 0.033847806 | 0.048526512 | 0.067396435 | 0.063557447 | 0.095808878 | 0.124794691 | 0.172543295 | 0.048624990 | 0.050778861 | 0.017974601 |
| C9H20O5S | 0.023767036 | 0.030476340 | 0.034010306 | 0.000000000 | 0.000000000 | 0.008462352 | 0.000000000 | 0.000000000 | 0.000000000 | 0.025894690 | 0.030732471 | 0.012763136 |
| C16H16O2 | 0.025464217 | 0.034369116 | 0.029297971 | 0.113738642 | 0.104380885 | 0.096681262 | 0.155720324 | 0.107478981 | 0.090239957 | 0.038024266 | 0.046283938 | 0.070502703 |
| C13H20O2S | 0.033957214 | 0.044104967 | 0.038660168 | 0.041708018 | 0.027829322 | 0.025489467 | 0.029063158 | 0.019197963 | 0.018139666 | 0.037997332 | 0.046226808 | 0.075742798 |
| C13H20O4 | 0.210763324 | 0.225003829 | 0.195092546 | 0.481727837 | 0.529433284 | 0.441909157 | 0.664259338 | 0.574336570 | 0.691848241 | 0.174944907 | 0.169647929 | 0.106878111 |
| C12H20N2O3 | 0.007507947 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H20O | 0.026946595 | 0.035087704 | 0.038285214 | 0.016706805 | 0.011648686 | 0.009244244 | 0.005535244 | 0.006537783 | 0.005287959 | 0.036192412 | 0.048388672 | 0.047621896 |
| C14H24OS | 0.018582504 | 0.028076002 | 0.024223180 | 0.013000227 | 0.000000000 | 0.007156962 | 0.000000000 | 0.000000000 | 0.000000000 | 0.027571737 | 0.040198700 | 0.037281630 |
| C14H24O3 | 0.146485869 | 0.181228094 | 0.186942850 | 0.105413803 | 0.100517245 | 0.099565066 | 0.070777255 | 0.091358462 | 0.128728324 | 0.156949281 | 0.204084035 | 0.170980244 |
| C18H24 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004523246 | 0.000000000 | 0.012887296 |
| C15H28S | 0.000000000 | 0.005449875 | 0.004486366 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012019254 |
| C15H28O2 | 0.029889852 | 0.044105079 | 0.032335469 | 0.017308161 | 0.015814691 | 0.013969340 | 0.006833217 | 0.010283101 | 0.010665347 | 0.035734501 | 0.178257125 | 0.632057276 |
| C10H11NO4S | 0.000000000 | 0.000000000 | 0.004429424 | 0.000000000 | 0.010154706 | 0.000000000 | 0.005037167 | 0.010051212 | 0.005496104 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H11NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008135172 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H11NO3 | 0.009462220 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006147556 | 0.000000000 | 0.005440899 | 0.000000000 | 0.005637153 | 0.000000000 | 0.000000000 |
| C11H15NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007930402 | 0.000000000 | 0.007301371 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H15NO5 | 0.009707510 | 0.005458899 | 0.005346637 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005195988 | 0.000000000 | 0.005721362 | 0.000000000 | 0.000000000 |
| C15H15NO2 | 0.005142366 | 0.004589363 | 0.007338774 | 0.000000000 | 0.000000000 | 0.008204451 | 0.000000000 | 0.005897804 | 0.000000000 | 0.008959184 | 0.015226628 | 0.008710902 |
| C16H19NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005004151 | 0.013938709 | 0.010761853 |
| C13H23NO3 | 0.040976278 | 0.017283345 | 0.010924653 | 0.011403246 | 0.009702932 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010738946 | 0.022183504 | 0.000000000 |
| C14H27NO2 | 0.009261866 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H6O6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005143340 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009252287 | 0.010053157 | 0.016343820 | 0.016424039 | 0.015497760 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10S2 | 0.000000000 | 0.006364155 | 0.006719416 | 0.020397143 | 0.021985079 | 0.021127730 | 0.030918223 | 0.019457086 | 0.014756862 | 0.004332457 | 0.000000000 | 0.000000000 |
| C10H10O5S | 0.019916677 | 0.028173087 | 0.026987500 | 0.021678926 | 0.025208307 | 0.026373958 | 0.023301670 | 0.072154708 | 0.043202047 | 0.031985137 | 0.030128209 | 0.014308781 |
| C7H14O5S2 | 0.016661989 | 0.021706214 | 0.019981484 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013470887 | 0.018414644 | 0.000000000 |
| C14H10O2S | 0.000000000 | 0.007742040 | 0.006547563 | 0.036571364 | 0.032026690 | 0.043198920 | 0.043969320 | 0.043276653 | 0.043306508 | 0.009345771 | 0.013705436 | 0.011043292 |
| C10H10O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.003974686 | 0.000000000 | 0.000000000 |
| C7H14O7S | 0.000000000 | 0.000000000 | 0.006814748 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H15O7P | 0.000000000 | 0.000000000 | 0.000000000 | 0.013426713 | 0.010311276 | 0.009809672 | 0.023260538 | 0.010531740 | 0.009436684 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10O4 | 0.017159716 | 0.016613290 | 0.017825335 | 0.051595948 | 0.027005927 | 0.041006930 | 0.069165736 | 0.043248877 | 0.036870049 | 0.015397101 | 0.000000000 | 0.000000000 |
| C11H14O4S | 0.038499621 | 0.048908196 | 0.048574327 | 0.029402696 | 0.028658868 | 0.027601541 | 0.028275121 | 0.031693482 | 0.024826136 | 0.042377134 | 0.080420491 | 0.064579362 |
| C15H14OS | 0.006976739 | 0.010253034 | 0.010513096 | 0.069342659 | 0.224056518 | 0.120611224 | 0.141922399 | 0.251037619 | 0.155520593 | 0.008123426 | 0.015619706 | 0.010941610 |
| C11H14O6 | 0.013726023 | 0.015357842 | 0.000000000 | 0.017595840 | 0.032254030 | 0.023305216 | 0.027748160 | 0.032193796 | 0.037679526 | 0.021344045 | 0.024195382 | 0.000000000 |
| C12H10N4O2 | 0.000000000 | 0.000000000 | 0.004212525 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005840296 | 0.000000000 | 0.000000000 |
| C8H18O6S | 0.013095856 | 0.015211770 | 0.018469090 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016137968 | 0.018162425 | 0.012959118 |
| C10H14N2O5 | 0.006141599 | 0.004818585 | 0.006742921 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009581547 | 0.000000000 | 0.000000000 |
| C15H14O3 | 0.013897905 | 0.018907142 | 0.017431636 | 0.039425735 | 0.038473224 | 0.043091835 | 0.027023577 | 0.030137046 | 0.023004895 | 0.021997348 | 0.021347978 | 0.014544205 |
| C12H18O3S | 0.053122508 | 0.071190939 | 0.065823799 | 0.069448412 | 0.061841605 | 0.062313383 | 0.080858229 | 0.061370677 | 0.051140006 | 0.055846985 | 0.057755298 | 0.035326502 |
| C16H18S | 0.000000000 | 0.000000000 | 0.004702386 | 0.014206461 | 0.009869723 | 0.014956123 | 0.014075453 | 0.013759393 | 0.012387337 | 0.005811708 | 0.000000000 | 0.010862183 |
| C12H18O5 | 0.093926138 | 0.090331019 | 0.072523597 | 0.143077996 | 0.149591843 | 0.178246681 | 0.341221001 | 0.324747623 | 0.472096096 | 0.075405165 | 0.092019933 | 0.022537921 |
| C11H18N2O4 | 0.018763870 | 0.011931010 | 0.008030416 | 0.000000000 | 0.000000000 | 0.007968483 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014885324 | 0.016834055 | 0.000000000 |
| C16H18O2 | 0.051418218 | 0.062789565 | 0.050511835 | 0.045517553 | 0.024991527 | 0.028955823 | 0.018435439 | 0.018018858 | 0.015954833 | 0.052964480 | 0.076535201 | 0.185330466 |
| C13H22O2S | 0.036838346 | 0.046113081 | 0.041837125 | 0.057132844 | 0.030456550 | 0.030933513 | 0.031461815 | 0.019554485 | 0.015788376 | 0.034605133 | 0.041651614 | 0.059784556 |
| C13H22O4 | 0.383948307 | 0.406299980 | 0.357589252 | 0.723921654 | 0.717871071 | 0.603400361 | 0.970966222 | 0.881185618 | 1.452216244 | 0.307974950 | 0.298712245 | 0.149311251 |
| C17H22O | 0.009157384 | 0.009976784 | 0.009919458 | 0.008461688 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005193680 | 0.012063444 | 0.013396275 | 0.020566623 |
| C14H26OS | 0.007472753 | 0.010411072 | 0.009631971 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012871635 | 0.016348486 | 0.017619080 |
| C14H26O3 | 0.070180212 | 0.083982672 | 0.085448245 | 0.046852297 | 0.047068636 | 0.041767021 | 0.030951368 | 0.038023725 | 0.054874037 | 0.073869686 | 0.101276713 | 0.100726027 |
| C18H26 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004949740 | 0.000000000 | 0.019555555 |
| C15H30O2 | 0.008410914 | 0.006909236 | 0.004299389 | 0.012257580 | 0.009485075 | 0.014172032 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.017020021 | 0.071091612 |
| C13H9NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012466806 | 0.008588459 | 0.000000000 | 0.013913242 | 0.006664946 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H13NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007492536 | 0.000000000 | 0.000000000 | 0.009518321 | 0.000000000 | 0.004367258 | 0.000000000 | 0.000000000 |
| C14H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008759211 | 0.006014643 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H13NO6 | 0.000000000 | 0.005731807 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006450889 | 0.000000000 | 0.000000000 |
| C14H13NO3 | 0.011704230 | 0.012307274 | 0.012145328 | 0.012047801 | 0.017115772 | 0.014114853 | 0.000000000 | 0.011682822 | 0.008917113 | 0.013855933 | 0.023788625 | 0.008854415 |
| C11H17NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004427576 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H17NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007146663 | 0.000000000 | 0.004938396 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H17NO5 | 0.022438654 | 0.009622639 | 0.006979896 | 0.009745265 | 0.000000000 | 0.008301171 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006849972 | 0.013884522 | 0.000000000 |
| C10H17N3O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H17NO2 | 0.006718398 | 0.008080951 | 0.008589233 | 0.000000000 | 0.000000000 | 0.007022518 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010320148 | 0.015160675 | 0.000000000 |
| C13H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006548747 | 0.006303896 | 0.005217534 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O6S | 0.000000000 | 0.000000000 | 0.004748071 | 0.000000000 | 0.015087205 | 0.010567569 | 0.000000000 | 0.032174998 | 0.008289714 | 0.004468894 | 0.000000000 | 0.000000000 |
| C13H8O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.014173756 | 0.018098671 | 0.021203739 | 0.020479864 | 0.030486523 | 0.023972931 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006029452 | 0.004095577 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004950709 | 0.005058452 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012155197 | 0.008117500 | 0.007418278 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O5S | 0.149870467 | 0.191971553 | 0.183646914 | 0.078226350 | 0.119635424 | 0.091231367 | 0.077369396 | 0.174161212 | 0.108678563 | 0.160240124 | 0.135146345 | 0.040404785 |
| C14H12O2S | 0.006221811 | 0.007738632 | 0.010196382 | 0.080869217 | 0.103271394 | 0.094816550 | 0.109745955 | 0.118906554 | 0.101184583 | 0.009546649 | 0.012708585 | 0.009565237 |
| C10H12O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005821033 | 0.000000000 | 0.005807515 | 0.000000000 | 0.000000000 |
| C9H12N2O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H17O7P | 0.009574987 | 0.006301567 | 0.008376145 | 0.045719463 | 0.024607186 | 0.020974871 | 0.072791268 | 0.027985107 | 0.034273958 | 0.004643233 | 0.000000000 | 0.000000000 |
| C14H12O4 | 0.009968846 | 0.011080664 | 0.013693161 | 0.031051701 | 0.027029772 | 0.034248746 | 0.042852023 | 0.030938234 | 0.028894995 | 0.015715840 | 0.017405965 | 0.010821237 |
| C11H16O4S | 0.044431356 | 0.054264243 | 0.056526132 | 0.060664740 | 0.045305045 | 0.046475329 | 0.051530785 | 0.036705513 | 0.035540368 | 0.046029649 | 0.074578693 | 0.055578216 |
| C15H16OS | 0.009410307 | 0.013236312 | 0.013371315 | 0.216658457 | 0.117032132 | 0.191109428 | 0.171468931 | 0.104370276 | 0.087293319 | 0.013446197 | 0.020901044 | 0.027705296 |
| C11H16O6 | 0.025268434 | 0.029541688 | 0.024852190 | 0.024821243 | 0.039426821 | 0.033664241 | 0.046458594 | 0.056592212 | 0.064158557 | 0.040143362 | 0.033209825 | 0.008932553 |
| C15H16O3 | 0.027932359 | 0.037303539 | 0.037414292 | 0.072623657 | 0.057485163 | 0.062861915 | 0.049735790 | 0.048003852 | 0.059562954 | 0.036829806 | 0.036771556 | 0.019234699 |
| C12H20O3S | 0.106274142 | 0.135467409 | 0.132848658 | 0.233044110 | 0.174843584 | 0.179262820 | 0.230161740 | 0.158318654 | 0.116982077 | 0.107007519 | 0.100177236 | 0.063718225 |
| C16H20S | 0.013073223 | 0.014282587 | 0.015511907 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006422307 | 0.007528708 | 0.006830859 | 0.018302103 | 0.023553362 | 0.029536848 |
| C12H20O5 | 0.137037995 | 0.136983484 | 0.127298853 | 0.272105331 | 0.262242576 | 0.340283463 | 0.446224970 | 0.360659749 | 0.532676696 | 0.111425636 | 0.107491129 | 0.023679909 |
| C11H20N2O4 | 0.013094722 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H20O2 | 0.279227618 | 0.287545655 | 0.222795736 | 0.159837479 | 0.086659534 | 0.080105826 | 0.049900519 | 0.044404555 | 0.040579952 | 0.249248738 | 0.347552778 | 1.037433659 |
| C13H24O2S | 0.000000000 | 0.000000000 | 0.010499594 | 0.008952740 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004523278 | 0.010886996 | 0.014365883 | 0.020360372 |
| C13H24O4 | 0.200169768 | 0.211680299 | 0.198096561 | 0.246522708 | 0.284805205 | 0.229143441 | 0.234772910 | 0.377558605 | 0.565681646 | 0.186102303 | 0.199218984 | 0.062955205 |
| C12H24N2O3 | 0.012052834 | 0.014657711 | 0.014608862 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015635136 | 0.000000000 | 0.000000000 |
| C17H24O | 0.009449800 | 0.012758713 | 0.012133948 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012132990 | 0.023986815 | 0.024284138 |
| C14H28O3 | 0.016080949 | 0.017141055 | 0.015993218 | 0.010005024 | 0.007877881 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005670604 | 0.016561212 | 0.033352971 | 0.032036202 |
| C18H28 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008489216 |
| C12H7NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004129215 | 0.004219774 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H11NO5S | 0.000000000 | 0.006513990 | 0.007238109 | 0.000000000 | 0.008846415 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004941042 | 0.000000000 | 0.000000000 |
| C13H11NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010328917 | 0.010089298 | 0.005466242 | 0.011545937 | 0.007562894 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H11NO4 | 0.005963427 | 0.004966403 | 0.006570977 | 0.012533886 | 0.011638380 | 0.009694762 | 0.007518617 | 0.012400624 | 0.004927285 | 0.006803279 | 0.000000000 | 0.000000000 |
| C14H15NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006638579 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H15NO3 | 0.010804334 | 0.014619387 | 0.013969208 | 0.012259759 | 0.017335899 | 0.011964769 | 0.006989620 | 0.010903256 | 0.007009711 | 0.014053443 | 0.015713622 | 0.000000000 |
| C11H19NO5 | 0.074423041 | 0.024892192 | 0.014097351 | 0.021975544 | 0.016958856 | 0.008854572 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011389813 | 0.029917580 | 0.000000000 |
| C10H19N3O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007520621 | 0.000000000 | 0.000000000 |
| C15H19NO2 | 0.000000000 | 0.007157650 | 0.006074975 | 0.000000000 | 0.006460158 | 0.006467734 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007136736 | 0.000000000 | 0.012044166 |
| C12H23NO4 | 0.074795457 | 0.025223873 | 0.016253567 | 0.020872227 | 0.022237976 | 0.012359417 | 0.000000000 | 0.006084514 | 0.005070990 | 0.014726996 | 0.042278831 | 0.000000000 |
| C11H23N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H23NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004417557 | 0.000000000 | 0.000000000 |
| C13H27NO3 | 0.006384293 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H6O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004341321 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012738618 | 0.007219489 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007090088 | 0.000000000 | 0.006816753 | 0.006119558 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O6S | 0.020293800 | 0.023898401 | 0.025904127 | 0.017821372 | 0.018628693 | 0.017572799 | 0.032726488 | 0.017453212 | 0.010840841 | 0.020883634 | 0.018644487 | 0.000000000 |
| C6H15O6SP | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009580405 | 0.000000000 | 0.008498982 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O3S | 0.000000000 | 0.006089834 | 0.004798588 | 0.037371817 | 0.062095752 | 0.062533497 | 0.071739750 | 0.077940146 | 0.084579648 | 0.004273692 | 0.000000000 | 0.000000000 |
| C10H14O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009423780 | 0.000000000 | 0.009796040 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O5 | 0.005953855 | 0.005319004 | 0.007096968 | 0.010252997 | 0.012895125 | 0.014630674 | 0.017015836 | 0.012877643 | 0.013239865 | 0.007865099 | 0.000000000 | 0.000000000 |
| C10H14O5S | 0.012269897 | 0.015252257 | 0.014442042 | 0.157621119 | 0.160300809 | 0.099106093 | 0.209348316 | 0.162156304 | 0.145079944 | 0.011831962 | 0.023891885 | 0.016643618 |
| C14H14O2S | 0.024003280 | 0.027854394 | 0.027741621 | 0.078732345 | 0.128936389 | 0.094273940 | 0.126677810 | 0.191395714 | 0.171295879 | 0.025948339 | 0.031081969 | 0.031371855 |
| C10H14O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.022234243 | 0.010592525 | 0.009718377 | 0.021455620 | 0.015808601 | 0.007506489 | 0.000000000 | 0.000000000 |
| C11H18O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H14O4 | 0.021181851 | 0.025651415 | 0.027735390 | 0.063800329 | 0.052922046 | 0.061617803 | 0.060524948 | 0.047602938 | 0.048624206 | 0.027544530 | 0.028529787 | 0.000000000 |
| C11H18O4S | 0.058942022 | 0.083987541 | 0.083077321 | 0.078494532 | 0.069162142 | 0.076016916 | 0.088372732 | 0.067114404 | 0.068181699 | 0.065280206 | 0.063651473 | 0.025050720 |
| C13H14N2O3 | 0.000000000 | 0.005827372 | 0.007272011 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005395125 | 0.000000000 | 0.000000000 |
| C18H14O | 0.000000000 | 0.000000000 | 0.003854941 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H18OS | 0.008320645 | 0.009440818 | 0.009364138 | 0.037186955 | 0.039915541 | 0.037758955 | 0.050133518 | 0.046644062 | 0.042892758 | 0.010532182 | 0.021149334 | 0.022068220 |
| C11H18O6 | 0.030133175 | 0.030941803 | 0.024435520 | 0.041521219 | 0.044843357 | 0.053336885 | 0.060739061 | 0.090225221 | 0.088078659 | 0.033504945 | 0.032958148 | 0.000000000 |
| C10H18N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H18O3 | 0.068695394 | 0.102432790 | 0.107226564 | 0.235267922 | 0.105588757 | 0.160482634 | 0.071558712 | 0.059401574 | 0.067555056 | 0.066250068 | 0.064546745 | 0.048090635 |
| C12H22O3S | 0.177829651 | 0.220968516 | 0.215797993 | 0.328877349 | 0.208442665 | 0.222443617 | 0.213103170 | 0.136919332 | 0.094945995 | 0.183841513 | 0.176368540 | 0.116962197 |
| C16H22S | 0.015825458 | 0.024174919 | 0.023854323 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.024042440 | 0.043824245 | 0.047734546 |
| C12H22O5 | 0.038003204 | 0.034613520 | 0.031979058 | 0.051550870 | 0.062757103 | 0.068749244 | 0.099966435 | 0.078301588 | 0.136776586 | 0.029356283 | 0.028987058 | 0.000000000 |
| C16H22O2 | 0.209109117 | 0.211619614 | 0.158399917 | 0.122339392 | 0.078583982 | 0.065885034 | 0.044896687 | 0.044198238 | 0.053246008 | 0.172634664 | 0.288590389 | 0.923274573 |
| C13H26O4 | 0.006777529 | 0.000000000 | 0.005439344 | 0.010259851 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005462039 | 0.006100697 | 0.000000000 | 0.000000000 |
| C17H26O | 0.005211071 | 0.008201248 | 0.008564257 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008663344 | 0.000000000 | 0.013925260 |
| C12H9NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007057147 | 0.000000000 | 0.000000000 | 0.006968957 | 0.006278043 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013170482 | 0.007012467 | 0.005450222 | 0.013726436 | 0.008583231 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NO4 | 0.012038385 | 0.012493863 | 0.013677497 | 0.011873691 | 0.013697383 | 0.010187262 | 0.005800194 | 0.010345997 | 0.005038617 | 0.013146389 | 0.013042935 | 0.000000000 |
| C10H17NO6 | 0.005244374 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H17NO3 | 0.018232728 | 0.014278419 | 0.015489974 | 0.010291357 | 0.013036266 | 0.012303828 | 0.005525424 | 0.008671441 | 0.005916651 | 0.014823420 | 0.017677275 | 0.007688422 |
| C15H21NO2 | 0.004884593 | 0.000000000 | 0.003641182 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009930151 |
| C16H25NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004423543 | 0.014750269 | 0.010337214 |
| C12H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007551072 | 0.005727930 | 0.004311657 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H8O7S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006040115 | 0.005917280 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.019846916 | 0.016689619 | 0.028886511 | 0.047945608 | 0.023465798 | 0.033638121 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O6 | 0.004524894 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H12OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010268376 | 0.011208618 | 0.009052557 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O6S | 0.006237282 | 0.007700161 | 0.009369238 | 0.031680275 | 0.015579085 | 0.016406666 | 0.029591790 | 0.010256673 | 0.006815133 | 0.008638407 | 0.000000000 | 0.000000000 |
| C13H12O3S | 0.014316744 | 0.015823255 | 0.015969037 | 0.036794202 | 0.053338352 | 0.050982083 | 0.050959338 | 0.065156992 | 0.066303605 | 0.017127771 | 0.022792561 | 0.020144844 |
| C10H16O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H12O5 | 0.012941845 | 0.015748265 | 0.016350292 | 0.022159504 | 0.030538203 | 0.025934675 | 0.027656814 | 0.036612467 | 0.032841773 | 0.017781076 | 0.013383658 | 0.000000000 |
| C10H16O5S | 0.062267095 | 0.078368011 | 0.074579630 | 0.143247871 | 0.128774228 | 0.142676569 | 0.135639009 | 0.095146850 | 0.078262681 | 0.059719332 | 0.061199811 | 0.014408766 |
| C12H12N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005374552 | 0.000000000 | 0.000000000 |
| C14H16O2S | 0.107195479 | 0.109604857 | 0.090229134 | 0.109683826 | 0.095798187 | 0.091237285 | 0.118742627 | 0.110127889 | 0.154899859 | 0.105853446 | 0.155117961 | 0.425927456 |
| C10H16O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010108987 | 0.009891588 | 0.000000000 | 0.008891344 | 0.006071009 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H12N2O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004862716 | 0.000000000 | 0.000000000 |
| C14H16O4 | 0.053931682 | 0.061265174 | 0.057317735 | 0.160532116 | 0.136336459 | 0.142403832 | 0.218441321 | 0.158044941 | 0.193127070 | 0.060015704 | 0.061523689 | 0.031610816 |
| C11H20O4S | 0.198054786 | 0.282054929 | 0.289297601 | 0.266721472 | 0.229190112 | 0.238501807 | 0.144202533 | 0.124358487 | 0.082806108 | 0.243972900 | 0.225589928 | 0.088018086 |
| C13H16N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005112772 | 0.000000000 | 0.000000000 |
| C18H16O | 0.004481137 | 0.008815585 | 0.009272454 | 0.000000000 | 0.000000000 | 0.005754810 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012342697 | 0.000000000 | 0.012739529 |
| C15H20OS | 0.014273864 | 0.020742594 | 0.017912797 | 0.010428697 | 0.010132284 | 0.009596932 | 0.008983966 | 0.008543954 | 0.008515728 | 0.022118415 | 0.022749902 | 0.023846107 |
| C11H20O6 | 0.017439047 | 0.010144105 | 0.005803823 | 0.008994962 | 0.010093547 | 0.008211095 | 0.007447276 | 0.009204066 | 0.011773137 | 0.008047518 | 0.000000000 | 0.000000000 |
| C15H20O3 | 0.053946048 | 0.061470516 | 0.061055148 | 0.110503207 | 0.089496456 | 0.090263136 | 0.081326870 | 0.076441493 | 0.110092633 | 0.060244730 | 0.070208973 | 0.058078417 |
| C12H24O3S | 0.063914218 | 0.090212192 | 0.091129159 | 0.021730187 | 0.014974901 | 0.015510534 | 0.000000000 | 0.006294391 | 0.000000000 | 0.081958066 | 0.085217593 | 0.039000430 |
| C19H20 | 0.000000000 | 0.005136063 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005659185 | 0.000000000 | 0.009842919 |
| C16H24S | 0.000000000 | 0.008089196 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006564192 | 0.015088560 | 0.012030535 |
| C16H24O2 | 0.180925654 | 0.211243109 | 0.155452077 | 0.084603433 | 0.066004169 | 0.049988553 | 0.022354178 | 0.033638611 | 0.035178857 | 0.185352361 | 0.404245931 | 1.231985571 |
| C17H28O | 0.007121883 | 0.005489484 | 0.005130498 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004995018 | 0.000000000 | 0.000000000 |
| C12H11NO3S | 0.000000000 | 0.005355297 | 0.006456307 | 0.000000000 | 0.011856392 | 0.009754150 | 0.006366655 | 0.020548506 | 0.012120016 | 0.005496832 | 0.000000000 | 0.000000000 |
| C16H11NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.014893561 | 0.013956160 | 0.026247872 | 0.034574696 | 0.009747039 | 0.009685137 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11NO5 | 0.000000000 | 0.000000000 | 0.006456325 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007269892 | 0.000000000 | 0.005863063 | 0.000000000 | 0.000000000 |
| C13H15NO2S | 0.000000000 | 0.000000000 | 0.004595468 | 0.000000000 | 0.012109554 | 0.008872525 | 0.000000000 | 0.013547904 | 0.007313910 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H15NO4 | 0.014113900 | 0.015177083 | 0.016526344 | 0.008352602 | 0.017605592 | 0.013909316 | 0.000000000 | 0.011046455 | 0.005546507 | 0.017930368 | 0.014210186 | 0.000000000 |
| C17H15NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005866487 | 0.000000000 | 0.000000000 |
| C10H19NO6 | 0.008607085 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H19NO3 | 0.013641315 | 0.013376825 | 0.012110901 | 0.008719364 | 0.009224750 | 0.008283196 | 0.006019391 | 0.009955573 | 0.004433541 | 0.011421123 | 0.014515025 | 0.009596662 |
| C15H23NO2 | 0.010669526 | 0.004971509 | 0.004001049 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H27NO | 0.006025635 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H6S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.021939206 | 0.010218068 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H6O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008742222 | 0.012202542 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007032750 | 0.007555781 | 0.005349116 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O4S | 0.048935561 | 0.065910450 | 0.069831791 | 0.045188945 | 0.051316588 | 0.046406079 | 0.056478636 | 0.057029302 | 0.055534562 | 1.606904193 | 1.277188361 | 0.337714305 |
| C14H6N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11O4P | 1.661831003 | 2.171996083 | 2.325132606 | 0.298439203 | 0.270351221 | 0.289164524 | 0.065717328 | 0.051387111 | 0.024559840 | 1.581042212 | 1.048326106 | 0.202896509 |
| C16H10OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013500551 | 0.010478965 | 0.017930642 | 0.016290112 | 0.013390664 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O6 | 0.000000000 | 0.004970621 | 0.005794074 | 0.009941737 | 0.000000000 | 0.006611277 | 0.010295563 | 0.012089731 | 0.013429834 | 0.007628679 | 0.000000000 | 0.000000000 |
| C13H14OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005726951 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H14O6S | 0.013918099 | 0.015813895 | 0.016852307 | 0.122637441 | 0.153240755 | 0.114816486 | 0.225689747 | 0.182561390 | 0.119964637 | 0.014183428 | 0.015462654 | 0.000000000 |
| C9H15O6P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006831448 | 0.004723303 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H14O3S | 0.038566417 | 0.049565641 | 0.050719958 | 0.147638742 | 0.134025401 | 0.169256429 | 0.154151766 | 0.165106720 | 0.206968075 | 0.041671959 | 0.055586447 | 0.034056313 |
| C10H18O3S2 | 0.000000000 | 0.000000000 | 0.003888690 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H14N2O7 | 0.000000000 | 0.004914401 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H14S | 0.005154813 | 0.000000000 | 0.004195724 | 0.000000000 | 0.006669336 | 0.006519993 | 0.017490162 | 0.017012797 | 0.025382393 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H14O5 | 0.027488310 | 0.031152040 | 0.036170456 | 0.059050746 | 0.073424686 | 0.068014562 | 0.095426072 | 0.093314564 | 0.098736043 | 0.034075006 | 0.028911925 | 0.008820928 |
| C10H18O5S | 0.073540964 | 0.105501386 | 0.109955533 | 0.057187549 | 0.051296017 | 0.060493517 | 0.047503520 | 0.039532977 | 0.028398273 | 0.079239282 | 0.072290253 | 0.022724022 |
| C12H14N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011158109 | 0.000000000 | 0.000000000 | 0.010710499 | 0.000000000 | 0.004958341 | 0.000000000 | 0.000000000 |
| C17H14O2 | 0.022217802 | 0.026145955 | 0.022139682 | 0.012374900 | 0.010450453 | 0.010742084 | 0.009099621 | 0.008424438 | 0.008615583 | 0.028208920 | 0.042111163 | 0.044320331 |
| C14H18O2S | 0.021802465 | 0.025103678 | 0.023202151 | 0.029338641 | 0.027607410 | 0.027681500 | 0.027832238 | 0.021077707 | 0.029658166 | 0.020928492 | 0.028150116 | 0.039347340 |
| C14H19O2P | 0.000000000 | 0.004988467 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H18O4 | 0.123725572 | 0.123441287 | 0.108255625 | 0.284590858 | 0.235804991 | 0.205848565 | 0.351507116 | 0.273837294 | 0.401080789 | 0.108145527 | 0.116992384 | 0.050323576 |
| C11H22O4S | 0.137847144 | 0.196464090 | 0.206002404 | 0.046642683 | 0.035469217 | 0.038066813 | 0.012446819 | 0.012680436 | 0.009219434 | 0.192628176 | 0.187959512 | 0.071894437 |
| C13H18N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009258868 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H18O | 0.000000000 | 0.006500592 | 0.006679291 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005323941 | 0.007325704 | 0.015789050 | 0.009131037 |
| C15H22OS | 0.010627706 | 0.014309805 | 0.012727532 | 0.008268661 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013799634 | 0.017074696 | 0.019054779 |
| C15H22O3 | 0.093305515 | 0.108028216 | 0.111155566 | 0.091557825 | 0.078920809 | 0.077211393 | 0.058570256 | 0.057654803 | 0.084557585 | 0.102003333 | 0.112421330 | 0.101885099 |
| C12H26O3S | 0.040843740 | 0.047923376 | 0.050345067 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.061472682 | 0.075147415 | 0.038978601 |
| C19H22 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013083428 |
| C16H26S | 0.005426149 | 0.008397672 | 0.007460556 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009751997 | 0.014403524 | 0.017506349 |
| C16H26O2 | 0.191984692 | 0.247125331 | 0.201602628 | 0.051188499 | 0.033062239 | 0.032484580 | 0.010201048 | 0.017805046 | 0.013194973 | 0.261108760 | 0.733831291 | 2.273495064 |
| C11H9NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007456091 | 0.004603478 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H13NO3S | 0.008154660 | 0.009604893 | 0.010475426 | 0.000000000 | 0.019256408 | 0.015154298 | 0.008512061 | 0.015679709 | 0.008724230 | 0.009094623 | 0.000000000 | 0.000000000 |
| C12H13NO5 | 0.008876156 | 0.008987048 | 0.010206703 | 0.000000000 | 0.008646656 | 0.000000000 | 0.000000000 | 0.007836580 | 0.000000000 | 0.009183880 | 0.000000000 | 0.000000000 |
| C16H13NO2 | 0.000000000 | 0.000000000 | 0.004575654 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H17NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007231358 | 0.006676120 | 0.000000000 | 0.000000000 | 0.005357518 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H17NO4 | 0.010424774 | 0.011634248 | 0.011047338 | 0.009109591 | 0.012799712 | 0.007243634 | 0.000000000 | 0.010676828 | 0.000000000 | 0.012608619 | 0.014196522 | 0.000000000 |
| C14H21NO3 | 0.044869419 | 0.049835451 | 0.042808829 | 0.013404275 | 0.010772341 | 0.007657734 | 0.006858144 | 0.004436222 | 0.004191530 | 0.027058395 | 0.026133990 | 0.011841922 |
| C15H25NO2 | 0.007517478 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009418951 | 0.007054090 | 0.006531771 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H8S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010698608 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H8O5S | 0.006721783 | 0.007699165 | 0.010029535 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007099526 | 0.009823096 | 0.008437925 | 0.010205228 | 0.020774689 | 0.015773510 |
| C12H12O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007751921 | 0.000000000 | 0.009694838 | 0.010656939 | 0.011166592 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O4S | 0.013462156 | 0.016732307 | 0.017416829 | 0.054270871 | 0.097581241 | 0.072167606 | 0.075205484 | 0.094261619 | 0.085238322 | 0.016842515 | 0.024431708 | 0.015477867 |
| C9H16O4S2 | 0.000000000 | 0.000000000 | 0.004893806 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H8N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H12OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.011063753 | 0.010975196 | 0.011692351 | 0.014375974 | 0.024262187 | 0.017955606 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O6 | 0.013079061 | 0.014174005 | 0.014929429 | 0.018704871 | 0.023932663 | 0.021790240 | 0.021140302 | 0.023449211 | 0.026833508 | 0.017037847 | 0.015689428 | 0.000000000 |
| C13H16OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007094120 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H16O6S | 0.033198006 | 0.038008278 | 0.039834864 | 0.016587302 | 0.018255869 | 0.023134681 | 0.011337591 | 0.013575359 | 0.009345355 | 0.031032983 | 0.032536036 | 0.000000000 |
| C16H12O3 | 0.009269405 | 0.007574888 | 0.006550033 | 0.012471098 | 0.013209269 | 0.013066041 | 0.009550803 | 0.011535981 | 0.007945139 | 0.007871658 | 0.000000000 | 0.000000000 |
| C13H16O3S | 0.046488917 | 0.054068892 | 0.053159442 | 0.094098553 | 0.118242990 | 0.098958965 | 0.136203858 | 0.116496939 | 0.122473314 | 0.046886965 | 0.043021150 | 0.028495481 |
| C10H12N4O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010474114 | 0.011202513 | 0.009261685 | 0.007523161 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H16S | 0.009636431 | 0.008867892 | 0.007271904 | 0.022484197 | 0.016380867 | 0.018029765 | 0.039535357 | 0.028278473 | 0.038472730 | 0.008939161 | 0.000000000 | 0.010082066 |
| C13H16O5 | 0.037150942 | 0.041451003 | 0.044672238 | 0.076735120 | 0.076506398 | 0.086099163 | 0.134886427 | 0.122083578 | 0.169787317 | 0.051897754 | 0.049077972 | 0.014237892 |
| C10H20O5S | 0.122238419 | 0.140372909 | 0.166655731 | 0.034674311 | 0.035978492 | 0.051708878 | 0.024425763 | 0.032225241 | 0.016676185 | 0.119893355 | 0.099970129 | 0.025932708 |
| C12H16N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008550235 | 0.000000000 | 0.000000000 |
| C17H16O2 | 0.014969636 | 0.015105804 | 0.017491897 | 0.021869770 | 0.015848857 | 0.018468193 | 0.016949201 | 0.015058920 | 0.013448167 | 0.020230248 | 0.028412602 | 0.036412908 |
| C14H20O2S | 0.020859596 | 0.027364448 | 0.023172964 | 0.018863545 | 0.016995586 | 0.015638062 | 0.011144154 | 0.009993448 | 0.011656270 | 0.025934717 | 0.028622122 | 0.042759526 |
| C10H20O7 | 0.005946733 | 0.005267315 | 0.005564171 | 0.047967834 | 0.047290797 | 0.034328653 | 0.013943755 | 0.007019482 | 0.004855866 | 0.004240750 | 0.000000000 | 0.000000000 |
| C14H20O4 | 0.068874389 | 0.071045494 | 0.069333965 | 0.128984157 | 0.138739470 | 0.126471274 | 0.158040801 | 0.153991243 | 0.174330745 | 0.071024922 | 0.071819543 | 0.045913786 |
| C11H24O4S | 0.026939344 | 0.036034353 | 0.036972531 | 0.010495689 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.031800841 | 0.030355406 | 0.009338099 |
| C18H20O | 0.011933399 | 0.018457728 | 0.018060665 | 0.010898744 | 0.000000000 | 0.006553422 | 0.000000000 | 0.004839414 | 0.000000000 | 0.019960891 | 0.032717200 | 0.028374777 |
| C15H24OS | 0.015385024 | 0.019894817 | 0.018629401 | 0.012524098 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.023247529 | 0.032164862 | 0.031427262 |
| C15H24O3 | 0.183279210 | 0.223502751 | 0.231103678 | 0.097270129 | 0.086692726 | 0.082611532 | 0.047950716 | 0.069386029 | 0.081870064 | 0.203514012 | 0.246628075 | 0.238817800 |
| C19H24 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004491696 | 0.000000000 | 0.008555986 |
| C16H28S | 0.000000000 | 0.008554138 | 0.005504870 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006379999 | 0.000000000 | 0.017824718 |
| C16H28O2 | 0.064033616 | 0.090785748 | 0.066909118 | 0.020773166 | 0.016830432 | 0.009166875 | 0.006084399 | 0.015885893 | 0.010859958 | 0.093492643 | 0.522954254 | 1.815219752 |
| C17H32O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H8NO2P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009068135 | 0.000000000 | 0.000000000 |
| C11H11NO4S | 0.000000000 | 0.006652237 | 0.004654203 | 0.000000000 | 0.027260700 | 0.013184328 | 0.007322587 | 0.021254498 | 0.010753054 | 0.005092871 | 0.000000000 | 0.000000000 |
| C15H11NO3 | 0.005597863 | 0.006342356 | 0.007126031 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004976743 | 0.000000000 | 0.006295086 | 0.000000000 | 0.000000000 |
| C12H15NO3S | 0.000000000 | 0.004873692 | 0.004259722 | 0.013275717 | 0.018500199 | 0.014090413 | 0.007137364 | 0.013482611 | 0.007577281 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO5 | 0.009166772 | 0.009828495 | 0.008576004 | 0.000000000 | 0.007190531 | 0.000000000 | 0.000000000 | 0.006832890 | 0.005088548 | 0.011257051 | 0.013042323 | 0.000000000 |
| C16H15NO2 | 0.006073220 | 0.009100101 | 0.011508736 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004604166 | 0.000000000 | 0.012755583 | 0.014030398 | 0.000000000 |
| C13H19NO4 | 0.023231097 | 0.010985313 | 0.011371262 | 0.000000000 | 0.007317141 | 0.006615717 | 0.000000000 | 0.006058167 | 0.000000000 | 0.010054910 | 0.000000000 | 0.000000000 |
| C14H23NO3 | 0.056157603 | 0.019477574 | 0.014574318 | 0.014736056 | 0.010256322 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014819894 | 0.020063516 | 0.000000000 |
| C15H27NO2 | 0.008035456 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006165045 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O5S | 0.000000000 | 0.000000000 | 0.005739547 | 0.062546635 | 0.024023488 | 0.017691544 | 0.069575753 | 0.024646404 | 0.027605693 | 0.008008466 | 0.000000000 | 0.000000000 |
| C8H14O5S2 | 0.020246003 | 0.028890743 | 0.024699864 | 0.000000000 | 0.008098495 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016864869 | 0.017418332 | 0.000000000 |
| C15H10O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.009349577 | 0.012623424 | 0.010811071 | 0.010273672 | 0.039523215 | 0.022735918 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O7 | 0.004778173 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H14O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006514725 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H14O7S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005376428 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H10O4 | 0.007513708 | 0.006570580 | 0.006441120 | 0.000000000 | 0.007500642 | 0.007476798 | 0.000000000 | 0.005080259 | 0.005946260 | 0.005338112 | 0.000000000 | 0.000000000 |
| C12H14O4S | 0.027435726 | 0.037379051 | 0.039124423 | 0.039897554 | 0.045144959 | 0.058804069 | 0.053947448 | 0.052753229 | 0.054950964 | 0.033634818 | 0.036026811 | 0.021688129 |
| C9H18O4S2 | 0.000000000 | 0.005988253 | 0.004503690 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005525014 | 0.000000000 | 0.000000000 |
| C16H14OS | 0.006763611 | 0.008408412 | 0.009462914 | 0.020234846 | 0.022530760 | 0.021695699 | 0.023736495 | 0.037786121 | 0.030425780 | 0.011029128 | 0.015766177 | 0.013344713 |
| C12H14O6 | 0.011541819 | 0.013532961 | 0.016840799 | 0.018794503 | 0.020418107 | 0.021778512 | 0.019145978 | 0.023298447 | 0.025725719 | 0.022427956 | 0.021322991 | 0.000000000 |
| C9H18O6S | 0.029884827 | 0.023087202 | 0.032562161 | 0.015431494 | 0.014539861 | 0.028564024 | 0.006461326 | 0.005207963 | 0.004681509 | 0.043885366 | 0.035817358 | 0.000000000 |
| C16H14O3 | 0.013095782 | 0.014527883 | 0.013919035 | 0.031447131 | 0.027365624 | 0.027901565 | 0.024724609 | 0.028760004 | 0.022350826 | 0.020158310 | 0.017394696 | 0.014982274 |
| C13H18O3S | 0.026504833 | 0.035105031 | 0.034837102 | 0.026220920 | 0.022339672 | 0.026518164 | 0.030834327 | 0.022103319 | 0.021639292 | 0.029708408 | 0.030322494 | 0.021669115 |
| C17H18S | 0.005419169 | 0.006558803 | 0.004530301 | 0.000000000 | 0.000000000 | 0.007043344 | 0.008857492 | 0.007991749 | 0.011511320 | 0.007131340 | 0.000000000 | 0.012848749 |
| C13H18O5 | 0.039301633 | 0.043127455 | 0.042974353 | 0.048381175 | 0.068513420 | 0.062856939 | 0.092367894 | 0.137483615 | 0.212925411 | 0.056250685 | 0.055882890 | 0.019150851 |
| C10H22O5S | 0.024929430 | 0.031709749 | 0.034437136 | 0.000000000 | 0.006200339 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.030267428 | 0.033750913 | 0.013719987 |
| C17H18O2 | 0.032992774 | 0.036865894 | 0.030424781 | 0.045421221 | 0.035919621 | 0.039787212 | 0.048628293 | 0.036674413 | 0.038644418 | 0.049583149 | 0.060187433 | 0.101688633 |
| C14H22O2S | 0.046477017 | 0.062978184 | 0.055198969 | 0.043505166 | 0.022639322 | 0.024482077 | 0.021406309 | 0.013414227 | 0.012608022 | 0.053422049 | 0.082186104 | 0.132035371 |
| C14H22O4 | 0.214961995 | 0.241066043 | 0.213356288 | 0.458708718 | 0.574580334 | 0.442864834 | 0.562568909 | 0.588581943 | 0.673688453 | 0.188753244 | 0.200845606 | 0.123183213 |
| C18H22O | 0.018828280 | 0.027114299 | 0.026618692 | 0.008104374 | 0.000000000 | 0.007739994 | 0.000000000 | 0.000000000 | 0.000000000 | 0.027331063 | 0.039312605 | 0.038069951 |
| C15H26OS | 0.019114726 | 0.027438042 | 0.026987433 | 0.015190498 | 0.000000000 | 0.008324537 | 0.000000000 | 0.000000000 | 0.000000000 | 0.029418886 | 0.038903116 | 0.035284570 |
| C15H26O3 | 0.159965247 | 0.207965787 | 0.212656336 | 0.095952448 | 0.087687579 | 0.084835657 | 0.043095036 | 0.066247399 | 0.082028683 | 0.186328718 | 0.242062253 | 0.227018434 |
| C16H30O2 | 0.014359860 | 0.013274543 | 0.010797396 | 0.022904390 | 0.015960569 | 0.020078689 | 0.000000000 | 0.005680612 | 0.004588624 | 0.010084718 | 0.106908649 | 0.387070142 |
| C14H9NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004322217 | 0.000000000 | 0.000000000 |
| C11H13NO4S | 0.004688959 | 0.005681526 | 0.004851564 | 0.000000000 | 0.011258721 | 0.010113508 | 0.000000000 | 0.006180031 | 0.004618798 | 0.005810635 | 0.000000000 | 0.000000000 |
| C15H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012390293 | 0.007174472 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H13NO3 | 0.000000000 | 0.006227382 | 0.004714884 | 0.000000000 | 0.010434885 | 0.009209957 | 0.000000000 | 0.006821066 | 0.000000000 | 0.006219817 | 0.000000000 | 0.000000000 |
| C12H17NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005256249 | 0.004714799 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H17NO5 | 0.011662981 | 0.006635041 | 0.006798431 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007391713 | 0.000000000 | 0.000000000 |
| C16H17NO2 | 0.000000000 | 0.006453451 | 0.007531235 | 0.009336715 | 0.008748430 | 0.006940055 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010430855 | 0.014504727 | 0.011839390 |
| C13H21NO4 | 0.080106459 | 0.028386770 | 0.018444959 | 0.019338255 | 0.016256405 | 0.008123773 | 0.000000000 | 0.005440107 | 0.000000000 | 0.017667533 | 0.032715582 | 0.000000000 |
| C17H21NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004591732 | 0.000000000 | 0.000000000 |
| C14H25NO3 | 0.021006434 | 0.010210074 | 0.006471954 | 0.000000000 | 0.006885092 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005623879 | 0.000000000 | 0.000000000 |
| C15H29NO2 | 0.006186704 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H8O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004971187 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H8O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.008154031 | 0.007165940 | 0.007550213 | 0.006965941 | 0.006370375 | 0.007155796 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H12O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006270325 | 0.000000000 | 0.007322326 | 0.006731487 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H8O5 | 0.004432315 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H12S2 | 0.014132841 | 0.014380244 | 0.016458432 | 0.049230422 | 0.043866947 | 0.042283948 | 0.054295661 | 0.033883082 | 0.026693720 | 0.011243396 | 0.000000000 | 0.000000000 |
| C11H12O5S | 0.032386334 | 0.031814756 | 0.028345543 | 0.028114126 | 0.035209700 | 0.024363004 | 0.020231126 | 0.040539773 | 0.026132326 | 0.036559906 | 0.038241395 | 0.021106528 |
| C8H16O5S2 | 0.010316013 | 0.014988248 | 0.013467911 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009980608 | 0.000000000 | 0.000000000 |
| C15H12O2S | 0.008525767 | 0.012726039 | 0.011727356 | 0.073016021 | 0.059797139 | 0.066893002 | 0.065444674 | 0.066138159 | 0.058216811 | 0.016665012 | 0.019461623 | 0.026505627 |
| C11H12O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011931865 | 0.000000000 | 0.014190982 | 0.014437668 | 0.006724296 | 0.000000000 | 0.000000000 |
| C10H12N2O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H17O7P | 0.000000000 | 0.000000000 | 0.000000000 | 0.011180180 | 0.009276739 | 0.000000000 | 0.026826689 | 0.013221676 | 0.015488667 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H12O4 | 0.012349784 | 0.011715365 | 0.014864770 | 0.053776173 | 0.038370990 | 0.044758538 | 0.116611491 | 0.070863174 | 0.061376314 | 0.015328153 | 0.016042832 | 0.000000000 |
| C12H16O4S | 0.052924241 | 0.071081929 | 0.070437945 | 0.036901640 | 0.032420427 | 0.033778981 | 0.033924503 | 0.029887720 | 0.028384475 | 0.064132644 | 0.105732628 | 0.095129203 |
| C16H16OS | 0.006436576 | 0.011427182 | 0.010343063 | 0.081023897 | 0.177796128 | 0.126243096 | 0.137065055 | 0.214920037 | 0.150416450 | 0.009108489 | 0.016052404 | 0.015456354 |
| C12H16O6 | 0.023556836 | 0.026192824 | 0.020583353 | 0.019604278 | 0.039145835 | 0.032035135 | 0.037391089 | 0.071029962 | 0.078218235 | 0.043564265 | 0.039822396 | 0.000000000 |
| C13H12N4O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005520472 | 0.000000000 | 0.000000000 |
| C11H16N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005823513 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H16O3 | 0.029607934 | 0.031088403 | 0.029801815 | 0.047327709 | 0.044094333 | 0.044446837 | 0.036164222 | 0.038886095 | 0.032875680 | 0.047349298 | 0.030375390 | 0.017736204 |
| C13H20O3S | 0.145588144 | 0.179100128 | 0.175109542 | 0.116200146 | 0.090934396 | 0.093703873 | 0.130411917 | 0.090430264 | 0.074588757 | 0.147968779 | 0.119027156 | 0.095205584 |
| C17H20S | 0.000000000 | 0.000000000 | 0.005038586 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007798589 | 0.000000000 | 0.000000000 |
| C13H20O5 | 0.112160429 | 0.120827200 | 0.112061628 | 0.168792716 | 0.208623434 | 0.224562366 | 0.384450881 | 0.459730528 | 0.647578870 | 0.109202683 | 0.098380837 | 0.033163977 |
| C12H20N2O4 | 0.019346201 | 0.000000000 | 0.006340120 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005675425 | 0.000000000 | 0.000000000 |
| C17H20O2 | 0.092596485 | 0.102571518 | 0.083412592 | 0.053036310 | 0.030395686 | 0.030476442 | 0.016196537 | 0.015226403 | 0.012417378 | 0.102386976 | 0.153272779 | 0.393992448 |
| C14H24O2S | 0.040707592 | 0.051689284 | 0.049963692 | 0.042385667 | 0.020328282 | 0.022025008 | 0.022528575 | 0.011536739 | 0.009750747 | 0.044763137 | 0.058345222 | 0.085361401 |
| C14H24O4 | 0.356581090 | 0.384208365 | 0.353703723 | 0.546137640 | 0.597063323 | 0.485110267 | 0.598933144 | 0.704207504 | 1.073300306 | 0.305835000 | 0.299587759 | 0.143587462 |
| C18H24O | 0.006416990 | 0.007479261 | 0.005801117 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007010663 | 0.000000000 | 0.017857159 |
| C15H28OS | 0.006254080 | 0.009524345 | 0.009511935 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010910177 | 0.015257458 | 0.011647278 |
| C15H28O3 | 0.053482951 | 0.070813617 | 0.065638231 | 0.031351906 | 0.028587875 | 0.025079293 | 0.011610203 | 0.017658446 | 0.025571085 | 0.059741624 | 0.096781125 | 0.101387012 |
| C19H28 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008939849 |
| C16H32O2 | 0.152892549 | 0.035565632 | 0.015286800 | 0.161009747 | 0.030364836 | 0.033068024 | 0.048980782 | 0.010722117 | 0.011960516 | 0.015825874 | 0.050907816 | 0.393636505 |
| C10H11NO5S | 0.000000000 | 0.007225655 | 0.004591866 | 0.000000000 | 0.008658348 | 0.000000000 | 0.000000000 | 0.007816717 | 0.000000000 | 0.006272426 | 0.000000000 | 0.000000000 |
| C14H11NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008405265 | 0.007973022 | 0.000000000 | 0.015977776 | 0.006725938 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H11NO4 | 0.007177100 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005178048 | 0.000000000 | 0.005225184 | 0.000000000 | 0.000000000 |
| C11H15NO4S | 0.000000000 | 0.000000000 | 0.005002046 | 0.000000000 | 0.007736374 | 0.007042662 | 0.000000000 | 0.007629144 | 0.004821453 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H15NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007090648 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H15NO6 | 0.000000000 | 0.005249730 | 0.004431770 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005101636 | 0.000000000 | 0.006644588 | 0.000000000 | 0.000000000 |
| C15H15NO3 | 0.007010648 | 0.010046608 | 0.011828418 | 0.000000000 | 0.008888314 | 0.007381254 | 0.000000000 | 0.007083719 | 0.004601168 | 0.011436489 | 0.015688398 | 0.000000000 |
| C12H19NO5 | 0.067705863 | 0.023556800 | 0.016509535 | 0.017597604 | 0.015768690 | 0.009438125 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015935428 | 0.026921107 | 0.000000000 |
| C16H19NO2 | 0.005172094 | 0.007138926 | 0.006178640 | 0.000000000 | 0.007757142 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008469802 | 0.015593261 | 0.010523331 |
| C13H23NO4 | 0.072689989 | 0.031721374 | 0.024009325 | 0.023867812 | 0.032959272 | 0.017695987 | 0.000000000 | 0.012719032 | 0.011974449 | 0.020572449 | 0.053357690 | 0.000000000 |
| C14H27NO3 | 0.020879903 | 0.010713940 | 0.005803711 | 0.000000000 | 0.009120899 | 0.000000000 | 0.000000000 | 0.004657911 | 0.004403789 | 0.008116281 | 0.018426574 | 0.000000000 |
| C10H10O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006055348 | 0.005983298 | 0.004961050 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015220669 | 0.019075900 | 0.014336095 | 0.029529801 | 0.026033285 | 0.017902562 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O6S | 0.008997118 | 0.015796057 | 0.010891876 | 0.010995430 | 0.031276634 | 0.029046958 | 0.024688143 | 0.073727969 | 0.030227179 | 0.010572036 | 0.000000000 | 0.009596383 |
| C14H10O3S | 0.028958535 | 0.050807224 | 0.059240303 | 0.053422965 | 0.057258737 | 0.071143424 | 0.064310726 | 0.066445930 | 0.064746559 | 0.041734457 | 0.025175950 | 0.010601184 |
| C9H10N2O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H10S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010566670 | 0.006389836 | 0.008959415 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10O5 | 0.007174672 | 0.005805602 | 0.000000000 | 0.008507915 | 0.000000000 | 0.008595498 | 0.012229966 | 0.012723420 | 0.012239671 | 0.008986002 | 0.000000000 | 0.000000000 |
| C15H14S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008308631 | 0.009011982 | 0.010089096 | 0.006466274 | 0.006999426 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H14O5S | 0.235017488 | 0.325842970 | 0.343905962 | 0.119797955 | 0.112177547 | 0.100448265 | 0.076661925 | 0.092711379 | 0.079708450 | 0.290427577 | 0.235139441 | 0.071577666 |
| C15H14O2S | 0.013651855 | 0.017509566 | 0.018060442 | 0.327419567 | 0.215486042 | 0.305932721 | 0.228993083 | 0.210308251 | 0.163891843 | 0.018041101 | 0.022680958 | 0.021288102 |
| C11H14O7 | 0.006705648 | 0.007280218 | 0.006303019 | 0.000000000 | 0.009457968 | 0.008622317 | 0.000000000 | 0.007640596 | 0.006380929 | 0.014613038 | 0.000000000 | 0.000000000 |
| C10H14N2O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005171555 | 0.000000000 | 0.000000000 |
| C8H19O7P | 0.011213539 | 0.010158349 | 0.008263905 | 0.040169211 | 0.025264181 | 0.023523172 | 0.060457220 | 0.032940191 | 0.041651010 | 0.007650844 | 0.000000000 | 0.000000000 |
| C15H14O4 | 0.017758731 | 0.020178457 | 0.022147825 | 0.046604534 | 0.043973349 | 0.044235289 | 0.052420727 | 0.041014380 | 0.036376494 | 0.024755820 | 0.024052350 | 0.010178381 |
| C12H18O4S | 0.059156710 | 0.075348263 | 0.076214800 | 0.055669483 | 0.051886782 | 0.055711714 | 0.062663971 | 0.045447543 | 0.050750862 | 0.060794299 | 0.061169151 | 0.040060883 |
| C19H14O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005031826 | 0.000000000 | 0.000000000 |
| C16H18OS | 0.006134595 | 0.008320566 | 0.008807659 | 0.083036127 | 0.081680964 | 0.090277388 | 0.101825444 | 0.086902465 | 0.072371172 | 0.009800985 | 0.013357808 | 0.017478926 |
| C12H18O6 | 0.045078124 | 0.053160344 | 0.036828614 | 0.040684607 | 0.051556221 | 0.040494278 | 0.072479059 | 0.096324666 | 0.121225739 | 0.062383756 | 0.056807557 | 0.011291300 |
| C16H18O3 | 0.031314622 | 0.043132359 | 0.044465878 | 0.105764592 | 0.051101689 | 0.063739411 | 0.041683484 | 0.035274935 | 0.047121399 | 0.039741022 | 0.042884633 | 0.035685721 |
| C13H22O3S | 0.178588582 | 0.219340939 | 0.216910212 | 0.223767448 | 0.159451612 | 0.161824811 | 0.224316178 | 0.143602457 | 0.109841151 | 0.187841586 | 0.159448994 | 0.120035897 |
| C15H18N2O2 | 0.000000000 | 0.000000000 | 0.005192182 | 0.007966285 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H22S | 0.007636666 | 0.010563092 | 0.009598294 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012434371 | 0.017576695 | 0.024162645 |
| C13H22O5 | 0.101564454 | 0.115713010 | 0.114863587 | 0.168267820 | 0.181931554 | 0.219733015 | 0.257516148 | 0.235712143 | 0.387197213 | 0.101392364 | 0.089053311 | 0.022674565 |
| C12H22N2O4 | 0.008055603 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H22O2 | 0.265151278 | 0.289205355 | 0.223060034 | 0.122308844 | 0.064159931 | 0.062180691 | 0.028780666 | 0.028250012 | 0.024521957 | 0.271677720 | 0.446631638 | 1.287354777 |
| C14H26O2S | 0.000000000 | 0.011157297 | 0.012007611 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008258753 | 0.015505446 | 0.017561697 |
| C14H26O4 | 0.172573371 | 0.189209619 | 0.173611691 | 0.175244984 | 0.200444491 | 0.154381776 | 0.122410821 | 0.236323641 | 0.387197239 | 0.167529172 | 0.196132611 | 0.073816368 |
| C18H26O | 0.006394289 | 0.004997419 | 0.006276583 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007147530 | 0.016738790 | 0.013014831 |
| C15H30O3 | 0.007710154 | 0.011228427 | 0.009688993 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009787634 | 0.022286128 | 0.025205704 |
| C13H9NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005413274 | 0.008831509 | 0.006403046 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H13NO5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008119004 | 0.000000000 | 0.000000000 | 0.006053856 | 0.000000000 | 0.005127130 | 0.000000000 | 0.000000000 |
| C14H13NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013178558 | 0.010460125 | 0.000000000 | 0.014708261 | 0.009126833 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H13NO4 | 0.006819615 | 0.008246738 | 0.011092946 | 0.011687800 | 0.017062983 | 0.016685475 | 0.006659776 | 0.013231717 | 0.005740518 | 0.007387567 | 0.000000000 | 0.000000000 |
| C15H17NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005979212 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H17NO6 | 0.005127843 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H17NO3 | 0.012786595 | 0.016393546 | 0.014724113 | 0.016986760 | 0.016360540 | 0.015311861 | 0.007805391 | 0.009034845 | 0.006319901 | 0.016459523 | 0.016807836 | 0.000000000 |
| C11H21N3O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010795503 | 0.000000000 | 0.000000000 |
| C16H21NO2 | 0.000000000 | 0.006474160 | 0.004683855 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H25NO4 | 0.040840035 | 0.023472438 | 0.018086560 | 0.021076662 | 0.035916918 | 0.024708382 | 0.000000000 | 0.020635467 | 0.017237813 | 0.017389001 | 0.046906154 | 0.000000000 |
| C12H25N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H8O5S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007637603 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006520657 | 0.006021676 | 0.006289331 | 0.005160392 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010462957 | 0.007723856 | 0.010910703 | 0.011801267 | 0.010041623 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008504196 | 0.005209371 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009255667 | 0.012982535 | 0.016873052 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009168897 | 0.010336431 | 0.011406468 | 0.008256251 | 0.020914278 | 0.011872706 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O6S | 0.016500658 | 0.019296457 | 0.021268571 | 0.011765491 | 0.016713151 | 0.014236607 | 0.016287606 | 0.020101303 | 0.013243561 | 0.019888567 | 0.024462100 | 0.009210321 |
| C7H17O6SP | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007185712 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12O3S | 0.008961892 | 0.012024200 | 0.011456410 | 0.074371119 | 0.109535827 | 0.112921178 | 0.122643580 | 0.140046773 | 0.166087068 | 0.012308448 | 0.012186692 | 0.000000000 |
| C10H12O8 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006044453 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H16O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009221791 | 0.000000000 | 0.000000000 | 0.006081440 | 0.000000000 | 0.004099668 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H12S | 0.000000000 | 0.000000000 | 0.000000000 | 0.010031182 | 0.009161347 | 0.009241288 | 0.022804943 | 0.011492111 | 0.015391258 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12O5 | 0.007606686 | 0.011045111 | 0.011750167 | 0.018164531 | 0.020452965 | 0.022960875 | 0.032842335 | 0.034762725 | 0.037031141 | 0.013736268 | 0.016019842 | 0.000000000 |
| C11H16O5S | 0.019938000 | 0.025731793 | 0.027055917 | 0.069402617 | 0.114825250 | 0.059786744 | 0.112597983 | 0.133265032 | 0.088118237 | 0.024468342 | 0.032176013 | 0.021138898 |
| C18H12O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005092352 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H16O2S | 0.031273945 | 0.039597301 | 0.036755613 | 0.106085275 | 0.168917588 | 0.119623922 | 0.148959850 | 0.243496460 | 0.195749730 | 0.039029222 | 0.051708197 | 0.065832302 |
| C11H16O7 | 0.007442006 | 0.007732738 | 0.006156622 | 0.012525405 | 0.020566636 | 0.015605474 | 0.013969765 | 0.024534518 | 0.019040358 | 0.014366002 | 0.000000000 | 0.000000000 |
| C15H16O4 | 0.027843827 | 0.034006909 | 0.035918159 | 0.083964729 | 0.068067889 | 0.078725806 | 0.061348885 | 0.052648268 | 0.054473636 | 0.034099290 | 0.032109432 | 0.016064208 |
| C12H20O4S | 0.079739890 | 0.114831026 | 0.121015368 | 0.090677551 | 0.081849244 | 0.092306563 | 0.087302823 | 0.070172454 | 0.069579125 | 0.096841666 | 0.099038712 | 0.036337760 |
| C14H16N2O3 | 0.000000000 | 0.005346183 | 0.006219147 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C19H16O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007119279 | 0.000000000 | 0.000000000 |
| C16H20OS | 0.008748935 | 0.011029385 | 0.009672166 | 0.016896064 | 0.022302267 | 0.014957658 | 0.025744590 | 0.026563522 | 0.024393241 | 0.013288455 | 0.019110270 | 0.019231187 |
| C12H20O6 | 0.039237067 | 0.039913190 | 0.031655821 | 0.039485751 | 0.048563282 | 0.050745973 | 0.062501685 | 0.083374674 | 0.094802825 | 0.038140256 | 0.036290184 | 0.010887748 |
| C11H20N2O5 | 0.013242504 | 0.009979225 | 0.010684647 | 0.012214958 | 0.010199702 | 0.019580395 | 0.006116533 | 0.000000000 | 0.000000000 | 0.012571202 | 0.000000000 | 0.000000000 |
| C16H20O3 | 0.073781943 | 0.100112804 | 0.103015984 | 0.281437876 | 0.108337579 | 0.180376932 | 0.064922533 | 0.048576469 | 0.059421795 | 0.079788924 | 0.084487299 | 0.071632105 |
| C13H24O3S | 0.156305774 | 0.215679610 | 0.208312533 | 0.221656814 | 0.137429253 | 0.151461819 | 0.135818278 | 0.087071306 | 0.061484604 | 0.182078658 | 0.201242113 | 0.135454356 |
| C20H20 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004506174 | 0.000000000 | 0.000000000 |
| C17H24S | 0.010202669 | 0.013887804 | 0.014531417 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.017383315 | 0.026205172 | 0.032496811 |
| C13H24O5 | 0.025831641 | 0.027003168 | 0.027405997 | 0.044824356 | 0.044007434 | 0.050901897 | 0.070785252 | 0.056734061 | 0.094724522 | 0.025108254 | 0.024652890 | 0.008359976 |
| C17H24O2 | 0.176414010 | 0.189654213 | 0.149164503 | 0.068821379 | 0.049679094 | 0.039854161 | 0.023052098 | 0.030121222 | 0.032200621 | 0.173942932 | 0.313921087 | 0.930625190 |
| C14H28O4 | 0.008550304 | 0.000000000 | 0.005481755 | 0.000000000 | 0.007158651 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005777432 | 0.000000000 | 0.011867209 |
| C18H28O | 0.004558041 | 0.000000000 | 0.004365401 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H11NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.008239107 | 0.012386022 | 0.008034595 | 0.005662659 | 0.014779756 | 0.007415116 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H11NO5 | 0.000000000 | 0.000000000 | 0.005412315 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006051742 | 0.005896084 | 0.004426186 | 0.006860990 | 0.000000000 | 0.000000000 |
| C14H15NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013610280 | 0.009956313 | 0.004925748 | 0.013060033 | 0.009011214 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H15NO4 | 0.019509532 | 0.024856571 | 0.028956889 | 0.012408285 | 0.014488427 | 0.011963249 | 0.000000000 | 0.008552194 | 0.006488209 | 0.019451933 | 0.015312995 | 0.000000000 |
| C11H19NO6 | 0.010246752 | 0.000000000 | 0.003638213 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004596439 | 0.000000000 | 0.000000000 |
| C15H19NO3 | 0.010415054 | 0.012704572 | 0.011632496 | 0.012920402 | 0.010782291 | 0.007584139 | 0.000000000 | 0.005831884 | 0.000000000 | 0.012939319 | 0.018684312 | 0.009366399 |
| C12H23NO5 | 0.055393571 | 0.021871928 | 0.011466898 | 0.020432716 | 0.016936923 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011326332 | 0.026750545 | 0.000000000 |
| C16H23NO2 | 0.005207229 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O5S2 | 0.006332466 | 0.005822210 | 0.006249162 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006439009 | 0.004999054 | 0.004984626 | 0.000000000 | 0.000000000 |
| C13H10O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007048977 | 0.008535212 | 0.010873920 | 0.010677626 | 0.007840323 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H10O7S | 0.000000000 | 0.005790647 | 0.000000000 | 0.017348722 | 0.008043324 | 0.000000000 | 0.031749463 | 0.020026870 | 0.019055202 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O4S | 0.007737859 | 0.008256212 | 0.009161600 | 0.024788346 | 0.024092316 | 0.028448482 | 0.042264448 | 0.036724193 | 0.041863584 | 0.007804903 | 0.000000000 | 0.000000000 |
| C10H14O4S2 | 0.000000000 | 0.000000000 | 0.003881308 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H6N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O6 | 0.005777545 | 0.000000000 | 0.005792978 | 0.000000000 | 0.009466448 | 0.000000000 | 0.007032745 | 0.006659676 | 0.006890551 | 0.005994916 | 0.000000000 | 0.000000000 |
| C14H14OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007441602 | 0.000000000 | 0.010501367 | 0.009809097 | 0.007983970 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H14O6S | 0.005871537 | 0.008151615 | 0.006749200 | 0.020850551 | 0.014934053 | 0.016202451 | 0.026084434 | 0.016726356 | 0.014234405 | 0.008286472 | 0.012372733 | 0.000000000 |
| C14H14O3S | 0.022539771 | 0.027258135 | 0.026770431 | 0.060605512 | 0.071769228 | 0.068654973 | 0.067016240 | 0.079846780 | 0.084673375 | 0.031097609 | 0.039256854 | 0.046706775 |
| C11H18O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004952967 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H14S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006868102 | 0.011369074 | 0.012165100 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H14O5 | 0.026950993 | 0.030953514 | 0.035920149 | 0.040401023 | 0.043297440 | 0.044591535 | 0.043631371 | 0.061002398 | 0.062948648 | 0.034168745 | 0.023667369 | 0.011679610 |
| C11H18O5S | 0.130413704 | 0.163441584 | 0.161116033 | 0.222241710 | 0.165779961 | 0.185055906 | 0.166220897 | 0.115395466 | 0.100523057 | 0.120927794 | 0.099272306 | 0.024150263 |
| C13H14N2O4 | 0.004362399 | 0.000000000 | 0.003633722 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005649803 | 0.000000000 | 0.000000000 |
| C18H14O2 | 0.000000000 | 0.004805715 | 0.000000000 | 0.000000000 | 0.007625050 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005092171 | 0.006392330 | 0.000000000 | 0.000000000 |
| C15H18O2S | 0.105407369 | 0.109116677 | 0.093643267 | 0.079660459 | 0.072657731 | 0.064816559 | 0.070046437 | 0.072703733 | 0.081278916 | 0.118826517 | 0.174734431 | 0.458206427 |
| C11H18O7 | 0.007378104 | 0.000000000 | 0.006452389 | 0.011722934 | 0.015259553 | 0.014390457 | 0.012514674 | 0.016107993 | 0.013849310 | 0.010030869 | 0.000000000 | 0.000000000 |
| C17H14N2O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007643351 | 0.000000000 | 0.000000000 |
| C15H18O4 | 0.068313202 | 0.076395406 | 0.072918967 | 0.184607706 | 0.165614718 | 0.157855469 | 0.214769275 | 0.171511788 | 0.214290761 | 0.070712380 | 0.073635853 | 0.040156754 |
| C12H22O4S | 0.195092262 | 0.267859178 | 0.299811513 | 0.191743383 | 0.169747062 | 0.183263372 | 0.120175758 | 0.095244771 | 0.067988196 | 0.274268146 | 0.237206884 | 0.097428897 |
| C14H18N2O3 | 0.000000000 | 0.005907255 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005925973 | 0.000000000 | 0.000000000 |
| C19H18O | 0.004383034 | 0.006475776 | 0.006188365 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008678869 | 0.000000000 | 0.010309260 |
| C16H22OS | 0.018092849 | 0.023728681 | 0.022345650 | 0.000000000 | 0.000000000 | 0.007919186 | 0.005518803 | 0.004592582 | 0.000000000 | 0.025514450 | 0.025691195 | 0.026217133 |
| C12H22O6 | 0.044295097 | 0.014107330 | 0.011217894 | 0.016288506 | 0.015585029 | 0.015091952 | 0.016261239 | 0.013484960 | 0.022351892 | 0.012896609 | 0.017334566 | 0.000000000 |
| C16H22O3 | 0.059934826 | 0.070236522 | 0.070669078 | 0.088884071 | 0.067657682 | 0.068343341 | 0.052606642 | 0.047883654 | 0.070782156 | 0.066806168 | 0.074721597 | 0.080564006 |
| C13H26O3S | 0.060335852 | 0.091208473 | 0.095993251 | 0.018386295 | 0.012325673 | 0.017206056 | 0.000000000 | 0.005025148 | 0.000000000 | 0.083050765 | 0.093520465 | 0.048233171 |
| C17H26S | 0.000000000 | 0.005165077 | 0.004779077 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008633643 |
| C17H26O2 | 0.080773496 | 0.096988430 | 0.074893975 | 0.029413607 | 0.024753730 | 0.018701542 | 0.008235094 | 0.015031059 | 0.018533136 | 0.103039995 | 0.282994747 | 0.846990645 |
| C12H9NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006137780 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.010394946 | 0.009728783 | 0.007737774 | 0.007431211 | 0.016060311 | 0.008428796 | 0.005303978 | 0.000000000 | 0.000000000 |
| C17H13NS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007194663 | 0.009419767 | 0.007947923 | 0.005822559 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H17NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007746438 | 0.004657354 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H17NO7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.054885588 | 0.059890263 | 0.058641304 | 0.029305184 | 0.038893207 | 0.015403857 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H17NO4 | 0.014943118 | 0.016781312 | 0.018078017 | 0.011899808 | 0.018277637 | 0.015429387 | 0.007604189 | 0.014649815 | 0.006743024 | 0.016962155 | 0.017113228 | 0.000000000 |
| C11H21NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005389216 | 0.004590959 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H17NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005218181 | 0.000000000 | 0.000000000 |
| C11H21NO6 | 0.004874720 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H21NO3 | 0.017034184 | 0.014684951 | 0.012556361 | 0.010201847 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005734893 | 0.000000000 | 0.011921118 | 0.016503834 | 0.009398393 |
| C16H25NO2 | 0.035015599 | 0.017369656 | 0.006922208 | 0.000000000 | 0.006616800 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008126038 | 0.018775215 | 0.000000000 |
| C17H29NO | 0.004647458 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H8S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011447433 | 0.005116768 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H8O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012018699 | 0.019528572 | 0.018345493 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H8O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009647291 | 0.010050798 | 0.009578581 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H12O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007589117 | 0.008143386 | 0.006270277 | 0.011906057 | 0.008945381 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H12O7S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006310422 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H12O4S | 0.144508890 | 0.205893163 | 0.222015989 | 0.079214599 | 0.073156444 | 0.081147277 | 0.073869302 | 0.064756563 | 0.076476184 | 0.190595714 | 0.209861000 | 0.116739024 |
| C10H16O4S2 | 0.000000000 | 0.000000000 | 0.004937194 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H8N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13O4P | 0.045815442 | 0.065501150 | 0.068521043 | 0.009086832 | 0.007439360 | 0.008708476 | 0.000000000 | 0.000000000 | 0.000000000 | 0.045808744 | 0.035900159 | 0.000000000 |
| C17H12OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010271066 | 0.012361219 | 0.011001690 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H12O6 | 0.012283882 | 0.015072943 | 0.014257215 | 0.013814228 | 0.015846099 | 0.012897672 | 0.014661912 | 0.016950722 | 0.021544197 | 0.014558795 | 0.013292029 | 0.000000000 |
| C10H16O6S | 0.028292391 | 0.036317308 | 0.035634640 | 0.311361792 | 0.324092738 | 0.250215039 | 0.409755380 | 0.285969854 | 0.196797861 | 0.028452906 | 0.036204930 | 0.009695619 |
| C17H12O3 | 0.000000000 | 0.000000000 | 0.006132497 | 0.014108272 | 0.000000000 | 0.011278038 | 0.000000000 | 0.006072820 | 0.000000000 | 0.004971674 | 0.000000000 | 0.000000000 |
| C14H16O3S | 0.055282369 | 0.067475197 | 0.068946060 | 0.127842934 | 0.118054356 | 0.131904667 | 0.157989065 | 0.131879357 | 0.237009532 | 0.061339464 | 0.063603306 | 0.048071027 |
| C18H16S | 0.000000000 | 0.005714173 | 0.004691938 | 0.009473422 | 0.010063455 | 0.000000000 | 0.019919433 | 0.017798476 | 0.029527811 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H16O5 | 0.053921792 | 0.060116086 | 0.077845786 | 0.097371014 | 0.088466837 | 0.097066253 | 0.117114938 | 0.109227183 | 0.123111324 | 0.056786685 | 0.046747229 | 0.013593943 |
| C11H20O5S | 0.107672566 | 0.149862752 | 0.162068015 | 0.073136168 | 0.065986917 | 0.076626931 | 0.044177145 | 0.042715895 | 0.027948072 | 0.112767220 | 0.103010490 | 0.030290373 |
| C13H16N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004875736 | 0.000000000 | 0.000000000 |
| C18H16O2 | 0.015137616 | 0.017860315 | 0.017241542 | 0.000000000 | 0.008260748 | 0.010725211 | 0.000000000 | 0.008709823 | 0.000000000 | 0.021111911 | 0.031072032 | 0.043276146 |
| C15H20O2S | 0.029166097 | 0.032116662 | 0.030872347 | 0.029727530 | 0.019177875 | 0.021607356 | 0.018634935 | 0.014817580 | 0.017601416 | 0.026722091 | 0.040595270 | 0.062990079 |
| C15H20O4 | 0.137061513 | 0.139882173 | 0.123619317 | 0.292333453 | 0.228305230 | 0.204465330 | 0.273398487 | 0.254951702 | 0.370595864 | 0.123031248 | 0.121485642 | 0.061743681 |
| C12H24O4S | 0.114919580 | 0.155358459 | 0.175517610 | 0.038766083 | 0.028145080 | 0.035797032 | 0.010820783 | 0.010276739 | 0.006588922 | 0.190326424 | 0.172225423 | 0.073368544 |
| C14H20N2O3 | 0.005382525 | 0.006231424 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005766465 | 0.000000000 | 0.000000000 |
| C19H20O | 0.006682259 | 0.005139799 | 0.007030977 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008982386 | 0.013716031 | 0.000000000 |
| C16H24OS | 0.012369919 | 0.015937671 | 0.014616668 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.018707592 | 0.019077620 | 0.016338086 |
| C12H24O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.027698692 | 0.023710681 | 0.018989932 |
| C16H24O3 | 0.117440302 | 0.155042663 | 0.153518370 | 0.069832737 | 0.057267784 | 0.053206554 | 0.035984278 | 0.035920306 | 0.048615363 | 0.130466616 | 0.149826867 | 0.144771167 |
| C13H28O3S | 0.018746850 | 0.029455758 | 0.030834907 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.039060496 | 0.062975007 | 0.038761122 |
| C20H24 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010735569 |
| C17H28S | 0.000000000 | 0.005335273 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006379387 | 0.000000000 | 0.011861177 |
| C17H28O2 | 0.038296528 | 0.048651130 | 0.034897305 | 0.011432623 | 0.009438600 | 0.000000000 | 0.000000000 | 0.008855834 | 0.006229953 | 0.055655338 | 0.327035236 | 1.210849489 |
| C12H11NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009881443 | 0.000000000 | 0.000000000 | 0.012014764 | 0.005892891 | 0.005311956 | 0.000000000 | 0.000000000 |
| C12H11NO6 | 0.005470397 | 0.005806117 | 0.007445928 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006818068 | 0.000000000 | 0.000000000 |
| C13H15NO3S | 0.007793282 | 0.007219536 | 0.007577192 | 0.009518076 | 0.016105830 | 0.009878923 | 0.006076940 | 0.012125977 | 0.008247852 | 0.007262591 | 0.000000000 | 0.000000000 |
| C13H15NO5 | 0.008547001 | 0.009724583 | 0.013520765 | 0.000000000 | 0.014117169 | 0.006849094 | 0.000000000 | 0.008960940 | 0.005083484 | 0.013832509 | 0.000000000 | 0.000000000 |
| C17H15NO2 | 0.000000000 | 0.000000000 | 0.003716414 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007981577 | 0.000000000 | 0.000000000 |
| C14H19NO4 | 0.012381780 | 0.014016136 | 0.013936412 | 0.000000000 | 0.012908510 | 0.008734277 | 0.000000000 | 0.005436336 | 0.000000000 | 0.012259947 | 0.000000000 | 0.008097998 |
| C15H23NO3 | 0.014644710 | 0.008402078 | 0.006824182 | 0.000000000 | 0.006765583 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007111151 | 0.000000000 | 0.000000000 |
| C16H27NO2 | 0.039386146 | 0.009550998 | 0.006939839 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006537038 | 0.015228086 | 0.000000000 |
| C17H31NO | 0.027054875 | 0.006862432 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005383724 | 0.000000000 | 0.000000000 |
| C15H6OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010525892 | 0.000000000 | 0.006969310 | 0.030807985 | 0.010272310 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H10S2 | 0.007054983 | 0.008592591 | 0.006100053 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005310175 | 0.005083708 | 0.000000000 | 0.005465361 | 0.000000000 | 0.000000000 |
| C12H10O5S | 0.014688654 | 0.021956682 | 0.020855820 | 0.010590069 | 0.019082469 | 0.015145896 | 0.016166860 | 0.027333760 | 0.019404831 | 0.020029595 | 0.052332629 | 0.049269767 |
| C9H14O5S2 | 0.000000000 | 0.000000000 | 0.004607920 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H6N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H11O5P | 0.000000000 | 0.000000000 | 0.005151659 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H10O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006692041 | 0.006273587 | 0.008654400 | 0.005890527 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H14O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008092501 | 0.006695590 | 0.008157584 | 0.005715909 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H14O7S | 0.000000000 | 0.000000000 | 0.004420444 | 0.000000000 | 0.013798273 | 0.010118902 | 0.020992076 | 0.021851393 | 0.014717841 | 0.005310483 | 0.000000000 | 0.000000000 |
| C16H10O4 | 0.000000000 | 0.000000000 | 0.004051718 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005384323 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H14O4S | 0.017588917 | 0.020882862 | 0.022174562 | 0.062290707 | 0.092023463 | 0.087092772 | 0.127854448 | 0.110924564 | 0.155230205 | 0.022205007 | 0.028143713 | 0.019190192 |
| C10H18O4S2 | 0.000000000 | 0.005789539 | 0.005643860 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004918194 | 0.000000000 | 0.000000000 |
| C15H10N2O3 | 0.006195711 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H14OS | 0.000000000 | 0.000000000 | 0.004800149 | 0.013527015 | 0.021727241 | 0.021950955 | 0.023931690 | 0.040383141 | 0.029784186 | 0.006162481 | 0.000000000 | 0.000000000 |
| C13H14O6 | 0.019429324 | 0.023512271 | 0.026536936 | 0.024590612 | 0.029222272 | 0.025083106 | 0.036933360 | 0.041133585 | 0.042350334 | 0.030765090 | 0.026020074 | 0.000000000 |
| C14H18OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004697254 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H18O6S | 0.059237552 | 0.084959447 | 0.087672428 | 0.023447590 | 0.027238755 | 0.030684929 | 0.013606114 | 0.018050585 | 0.012269924 | 0.062553845 | 0.060332283 | 0.013641709 |
| C12H14N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006333653 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H19O6P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005355540 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H14O3 | 0.007889326 | 0.008415016 | 0.010474980 | 0.018723531 | 0.015110359 | 0.017912799 | 0.013453797 | 0.011748284 | 0.010562896 | 0.011432562 | 0.000000000 | 0.007708472 |
| C14H18O3S | 0.056043743 | 0.061650284 | 0.060998323 | 0.078108174 | 0.068613815 | 0.073297734 | 0.090273984 | 0.071179030 | 0.086635407 | 0.059321104 | 0.060294227 | 0.053390733 |
| C10H18O8 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007899456 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H18S | 0.008841766 | 0.008908541 | 0.008512563 | 0.016087330 | 0.014676490 | 0.013027066 | 0.028789858 | 0.021643003 | 0.034947761 | 0.006696259 | 0.012916192 | 0.009034424 |
| C14H18O5 | 0.050730273 | 0.059376239 | 0.061823314 | 0.081940323 | 0.105908201 | 0.106733304 | 0.138097749 | 0.154172237 | 0.209333222 | 0.072198262 | 0.062122732 | 0.019107607 |
| C11H22O5S | 0.083928860 | 0.120428614 | 0.135220900 | 0.030722071 | 0.025162306 | 0.036121176 | 0.011741129 | 0.017842165 | 0.009120260 | 0.105280117 | 0.087854509 | 0.026999543 |
| C13H18N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004864380 | 0.000000000 | 0.000000000 |
| C18H18O2 | 0.019185908 | 0.020195985 | 0.019918455 | 0.019410733 | 0.014351093 | 0.014542015 | 0.013128590 | 0.010612236 | 0.008379358 | 0.028205880 | 0.042676331 | 0.071540320 |
| C15H22O2S | 0.029311622 | 0.036635595 | 0.035261703 | 0.023084288 | 0.012951267 | 0.013733408 | 0.011127704 | 0.009184317 | 0.006819201 | 0.035439171 | 0.046485633 | 0.077975963 |
| C15H22O4 | 0.075765309 | 0.083917251 | 0.081897688 | 0.126419401 | 0.152479708 | 0.125204738 | 0.137109691 | 0.158619334 | 0.165204869 | 0.080118549 | 0.086445155 | 0.060805800 |
| C12H27O4P | 0.008025465 | 0.010870774 | 0.011600012 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008819493 | 0.000000000 | 0.000000000 |
| C19H22O | 0.007767671 | 0.011932797 | 0.010059441 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012823395 | 0.018615978 | 0.019050459 |
| C16H26OS | 0.011047431 | 0.017258695 | 0.017268582 | 0.009288720 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.020534865 | 0.025296534 | 0.023037764 |
| C16H26O3 | 0.185357912 | 0.333938272 | 0.246017323 | 0.090793966 | 0.093469963 | 0.073512186 | 0.031540137 | 0.050069497 | 0.053147525 | 0.219692746 | 0.283461850 | 0.293786318 |
| C17H30S | 0.000000000 | 0.000000000 | 0.005394008 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005556475 | 0.000000000 | 0.009668921 |
| C17H30O2 | 0.015927741 | 0.014953109 | 0.012446920 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004968388 | 0.000000000 | 0.017537889 | 0.241864460 | 0.933280732 |
| C12H13NO4S | 0.000000000 | 0.005335692 | 0.004690183 | 0.000000000 | 0.015080732 | 0.012594781 | 0.000000000 | 0.016307459 | 0.010113335 | 0.004745804 | 0.000000000 | 0.000000000 |
| C16H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008159086 | 0.006228213 | 0.008493836 | 0.007738205 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H13NO6 | 0.005502231 | 0.000000000 | 0.004124594 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005552328 | 0.000000000 | 0.000000000 |
| C16H13NO3 | 0.000000000 | 0.008151665 | 0.009097883 | 0.000000000 | 0.008262420 | 0.000000000 | 0.000000000 | 0.006459693 | 0.000000000 | 0.008578000 | 0.000000000 | 0.000000000 |
| C13H17NO3S | 0.000000000 | 0.000000000 | 0.004177345 | 0.000000000 | 0.009429811 | 0.007433848 | 0.000000000 | 0.005688410 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H17NS | 0.004669799 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H17NO5 | 0.015506247 | 0.015763496 | 0.017013268 | 0.000000000 | 0.008820316 | 0.007860097 | 0.000000000 | 0.006635165 | 0.000000000 | 0.014878524 | 0.000000000 | 0.000000000 |
| C17H17NO2 | 0.011062839 | 0.011464106 | 0.012016573 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014046780 | 0.018375491 | 0.014307950 |
| C14H21NO4 | 0.023705679 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009091551 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009722993 | 0.000000000 | 0.000000000 |
| C15H25NO3 | 0.016122178 | 0.008866368 | 0.006244945 | 0.000000000 | 0.005984601 | 0.000000000 | 0.005155027 | 0.000000000 | 0.000000000 | 0.006559310 | 0.000000000 | 0.000000000 |
| C12H12O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006606521 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H8O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H12S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007132528 | 0.000000000 | 0.000000000 | 0.006474514 | 0.004528798 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O5S | 0.008063398 | 0.010383414 | 0.012204967 | 0.033804272 | 0.029813905 | 0.021247228 | 0.054029572 | 0.044943293 | 0.046699641 | 0.012209102 | 0.020282371 | 0.018404828 |
| C9H16O5S2 | 0.017125698 | 0.024667398 | 0.023026489 | 0.000000000 | 0.000000000 | 0.007600716 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014727958 | 0.019730031 | 0.000000000 |
| C16H12O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.015925480 | 0.022370551 | 0.020599385 | 0.020673186 | 0.053114773 | 0.035197551 | 0.006491182 | 0.000000000 | 0.000000000 |
| C12H12O7 | 0.004957316 | 0.004913435 | 0.006245805 | 0.000000000 | 0.008460070 | 0.005831291 | 0.000000000 | 0.005083092 | 0.004730364 | 0.006971047 | 0.000000000 | 0.000000000 |
| C9H16O7S | 0.005469334 | 0.005308242 | 0.005391149 | 0.000000000 | 0.000000000 | 0.007145288 | 0.006131745 | 0.009135823 | 0.000000000 | 0.006080360 | 0.000000000 | 0.000000000 |
| C16H12O4 | 0.007338379 | 0.007076975 | 0.009286345 | 0.009797421 | 0.012478791 | 0.010150800 | 0.010524658 | 0.010780897 | 0.007504722 | 0.008824846 | 0.000000000 | 0.000000000 |
| C13H16O4S | 0.044172983 | 0.059947052 | 0.062425223 | 0.041111790 | 0.041715092 | 0.048438013 | 0.044247482 | 0.038995389 | 0.044284362 | 0.051618435 | 0.063994089 | 0.040166517 |
| C10H12N4O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011609736 | 0.000000000 | 0.000000000 |
| C17H16OS | 0.000000000 | 0.008620678 | 0.009414484 | 0.024257097 | 0.023367529 | 0.027365455 | 0.033073804 | 0.043192314 | 0.036137596 | 0.012091294 | 0.013778128 | 0.009988336 |
| C13H16O6 | 0.020591699 | 0.028007492 | 0.026470175 | 0.017616963 | 0.030847066 | 0.025748237 | 0.023958641 | 0.037730776 | 0.054611464 | 0.043280641 | 0.039414673 | 0.000000000 |
| C10H20O6S | 0.045018011 | 0.046381638 | 0.048775695 | 0.012529500 | 0.012109499 | 0.017983635 | 0.005728313 | 0.005773639 | 0.004113516 | 0.036437981 | 0.027882049 | 0.000000000 |
| C12H16N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006523225 | 0.000000000 | 0.000000000 |
| C17H16O3 | 0.015145744 | 0.018923088 | 0.018864190 | 0.041785769 | 0.033419467 | 0.035071630 | 0.031476406 | 0.023812893 | 0.021684914 | 0.021769370 | 0.029129621 | 0.026443133 |
| C14H20O3S | 0.060414263 | 0.074381100 | 0.077249772 | 0.032892616 | 0.030113602 | 0.030005643 | 0.031114108 | 0.024771793 | 0.021423802 | 0.066623839 | 0.059803957 | 0.046436876 |
| C18H20S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009238139 | 0.005110954 | 0.012415359 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H20O5 | 0.054270113 | 0.062568607 | 0.059875362 | 0.059902481 | 0.109340887 | 0.083432396 | 0.107930196 | 0.185136836 | 0.256544558 | 0.074113073 | 0.066375029 | 0.027727752 |
| C11H24O5S | 0.018221438 | 0.022109179 | 0.021307885 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.017768862 | 0.019182664 | 0.000000000 |
| C13H20N2O4 | 0.005403186 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H20O2 | 0.028203942 | 0.033139994 | 0.026726468 | 0.021614348 | 0.016399450 | 0.020555663 | 0.016663272 | 0.014018980 | 0.016886964 | 0.039185871 | 0.064622789 | 0.123359399 |
| C15H24O2S | 0.051677838 | 0.069422414 | 0.063925247 | 0.039367637 | 0.019870619 | 0.020516699 | 0.014757079 | 0.008024144 | 0.008237543 | 0.066138965 | 0.104239443 | 0.180033764 |
| C15H24O4 | 0.221222646 | 0.256369649 | 0.227519885 | 0.378391310 | 0.490797108 | 0.371492535 | 0.420694885 | 0.522334942 | 0.590144727 | 0.205740088 | 0.222594202 | 0.145744275 |
| C19H24O | 0.010996005 | 0.016017421 | 0.017589304 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.017108891 | 0.029853563 | 0.026233391 |
| C16H28OS | 0.015707973 | 0.022298744 | 0.024045345 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.025392828 | 0.033424784 | 0.027333560 |
| C16H28O3 | 0.172012019 | 0.210825196 | 0.220020168 | 0.074306087 | 0.066509301 | 0.061239552 | 0.022600133 | 0.037619706 | 0.043527241 | 0.200621600 | 0.281333585 | 0.270183723 |
| C17H32O2 | 0.004458935 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009678517 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.047405017 | 0.166297751 |
| C11H11NO5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005702455 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H11NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007491715 | 0.004758166 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H11NO4 | 0.005375585 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO4S | 0.000000000 | 0.000000000 | 0.004514043 | 0.000000000 | 0.010321039 | 0.009643065 | 0.000000000 | 0.006466828 | 0.000000000 | 0.005116629 | 0.000000000 | 0.000000000 |
| C19H11NO | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H15NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008978736 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO6 | 0.021681298 | 0.000000000 | 0.005997605 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007957094 | 0.000000000 | 0.000000000 |
| C16H15NO3 | 0.000000000 | 0.010005640 | 0.006712440 | 0.000000000 | 0.009021980 | 0.007039480 | 0.007328899 | 0.006140279 | 0.004878163 | 0.010472596 | 0.000000000 | 0.000000000 |
| C13H19NO5 | 0.018093657 | 0.011932303 | 0.008403030 | 0.000000000 | 0.006533568 | 0.000000000 | 0.005482421 | 0.005702542 | 0.000000000 | 0.007785390 | 0.000000000 | 0.000000000 |
| C17H19NO2 | 0.000000000 | 0.000000000 | 0.004684418 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008393231 | 0.000000000 | 0.011614815 |
| C14H23NO4 | 0.103181177 | 0.039260624 | 0.027439941 | 0.023241413 | 0.024102514 | 0.010093764 | 0.000000000 | 0.006168128 | 0.000000000 | 0.026208760 | 0.044512187 | 0.000000000 |
| C13H23N3O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011407083 | 0.000000000 |
| C15H27NO3 | 0.032788193 | 0.010029437 | 0.009496815 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007825876 | 0.014309345 | 0.000000000 |
| C16H31NO2 | 0.045792683 | 0.014794752 | 0.007971900 | 0.012752761 | 0.010310935 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008792371 | 0.017085456 | 0.000000000 |
| C15H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006641224 | 0.000000000 | 0.006603231 | 0.004572149 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H10O6S | 0.000000000 | 0.000000000 | 0.004944640 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010080971 | 0.007021733 | 0.000000000 | 0.000000000 | 0.011104274 |
| C18H6O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H10O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.020745392 | 0.015162375 | 0.017674392 | 0.016825908 | 0.020736550 | 0.017521821 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H14O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005308442 | 0.006743959 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H10O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011634227 | 0.000000000 | 0.007196580 | 0.010650340 | 0.011171922 | 0.016157512 | 0.005610969 | 0.000000000 | 0.000000000 |
| C16H14S2 | 0.019777541 | 0.020287410 | 0.017903622 | 0.049862924 | 0.042348024 | 0.033953786 | 0.042866318 | 0.026656712 | 0.022456906 | 0.012672518 | 0.016535073 | 0.000000000 |
| C12H14O5S | 0.086081617 | 0.144626744 | 0.154124142 | 0.033384814 | 0.033639121 | 0.052201104 | 0.025187675 | 0.026747045 | 0.020341878 | 0.108894104 | 0.098225355 | 0.033136233 |
| C9H18O5S2 | 0.009300946 | 0.012201847 | 0.011850702 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008917814 | 0.011711570 | 0.000000000 |
| C16H14O2S | 0.012100926 | 0.013559984 | 0.011169486 | 0.069789974 | 0.062317573 | 0.070087972 | 0.061953019 | 0.073295233 | 0.060631889 | 0.019447850 | 0.030877101 | 0.053587865 |
| C12H14O7 | 0.007054186 | 0.008492688 | 0.008282083 | 0.000000000 | 0.006676929 | 0.006738719 | 0.000000000 | 0.008086796 | 0.007682727 | 0.014760359 | 0.013749574 | 0.000000000 |
| C13H10N4O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007732435 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H18O7S | 0.005271090 | 0.000000000 | 0.008018032 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H19O7P | 0.000000000 | 0.000000000 | 0.000000000 | 0.012618743 | 0.009253201 | 0.007681303 | 0.020164898 | 0.010428462 | 0.017254224 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H14O4 | 0.018739230 | 0.020003193 | 0.017122433 | 0.106393351 | 0.077834529 | 0.108180354 | 0.214185369 | 0.138778158 | 0.131315655 | 0.025590101 | 0.020827755 | 0.011142539 |
| C13H18O4S | 0.061590901 | 0.077668156 | 0.082376539 | 0.040348761 | 0.043670425 | 0.036418636 | 0.033364191 | 0.034383510 | 0.036439631 | 0.071367254 | 0.110377086 | 0.091362328 |
| C17H18OS | 0.006583385 | 0.007880781 | 0.007994626 | 0.035776671 | 0.055313309 | 0.044076099 | 0.052862595 | 0.080215999 | 0.066115330 | 0.008717501 | 0.000000000 | 0.009384213 |
| C13H18O6 | 0.030483360 | 0.035440024 | 0.028915815 | 0.022879612 | 0.036035954 | 0.032960145 | 0.043146340 | 0.068181158 | 0.084576142 | 0.061669008 | 0.050209351 | 0.013842109 |
| C10H22O6S | 0.005711535 | 0.006666769 | 0.005590022 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008769702 | 0.000000000 | 0.000000000 |
| C12H18N2O5 | 0.004546980 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H18O3 | 0.026329973 | 0.029589056 | 0.031478246 | 0.040467744 | 0.037616593 | 0.039331623 | 0.027987350 | 0.029818361 | 0.028155796 | 0.031995033 | 0.037962515 | 0.025212616 |
| C14H22O3S | 0.225922491 | 0.271153364 | 0.252720972 | 0.124629018 | 0.090996083 | 0.092358928 | 0.117879195 | 0.079799107 | 0.064391992 | 0.236776549 | 0.193419746 | 0.175000310 |
| C14H23O3P | 0.006461681 | 0.009292238 | 0.008085278 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006399041 | 0.000000000 | 0.000000000 |
| C14H22O5 | 0.106046695 | 0.103346219 | 0.099076041 | 0.144873212 | 0.184510926 | 0.190444345 | 0.257859183 | 0.301095777 | 0.433477640 | 0.092811247 | 0.102568167 | 0.032792972 |
| C13H22N2O4 | 0.007355043 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H22O2 | 0.099773645 | 0.112410917 | 0.089151386 | 0.040824587 | 0.022605924 | 0.022808743 | 0.008865714 | 0.009758001 | 0.009590572 | 0.123037516 | 0.213685256 | 0.527103818 |
| C15H26O2S | 0.027060444 | 0.040872578 | 0.034790674 | 0.025357367 | 0.010268315 | 0.012189649 | 0.009186849 | 0.005819927 | 0.000000000 | 0.031725677 | 0.056875748 | 0.086529348 |
| C15H26O4 | 0.332765275 | 0.373865430 | 0.348917857 | 0.360106245 | 0.432120705 | 0.335175895 | 0.324522616 | 0.495432177 | 0.737206287 | 0.310483413 | 0.315317244 | 0.150529684 |
| C19H26O | 0.005081458 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011673715 |
| C16H30OS | 0.000000000 | 0.008271744 | 0.008600947 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010163918 | 0.000000000 | 0.000000000 |
| C16H30O3 | 0.049259729 | 0.056364719 | 0.054427583 | 0.019754635 | 0.017936462 | 0.013324696 | 0.006679619 | 0.007451145 | 0.010373967 | 0.051405124 | 0.094454546 | 0.107489790 |
| C17H34O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.022961618 |
| C14H9NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007915732 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H13NO5S | 0.006632775 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008482295 | 0.000000000 | 0.000000000 | 0.006916900 | 0.000000000 | 0.004517569 | 0.000000000 | 0.000000000 |
| C15H13NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013164772 | 0.010320282 | 0.000000000 | 0.016471138 | 0.009584828 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H13NO4 | 0.000000000 | 0.006401389 | 0.006430000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005384782 | 0.000000000 | 0.007778980 | 0.000000000 | 0.000000000 |
| C12H17NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005454270 | 0.000000000 | 0.004495717 | 0.000000000 | 0.000000000 |
| C16H17NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006176005 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H17NO6 | 0.006093967 | 0.004779760 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006199516 | 0.000000000 | 0.005979098 | 0.000000000 | 0.000000000 |
| C16H17NO3 | 0.006419811 | 0.011792469 | 0.012526710 | 0.000000000 | 0.010202476 | 0.006333316 | 0.000000000 | 0.007827223 | 0.004811371 | 0.012680344 | 0.013537796 | 0.000000000 |
| C13H21NO5 | 0.034580625 | 0.012593944 | 0.009061220 | 0.012739426 | 0.008213817 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009461081 | 0.015932938 | 0.000000000 |
| C17H21NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006411869 | 0.000000000 | 0.000000000 |
| C14H25NO4 | 0.042443487 | 0.017979101 | 0.013611105 | 0.014995811 | 0.014383965 | 0.007931127 | 0.000000000 | 0.005834788 | 0.000000000 | 0.010851876 | 0.028308463 | 0.000000000 |
| C15H29NO3 | 0.046267523 | 0.023794594 | 0.011864322 | 0.014609355 | 0.011026489 | 0.000000000 | 0.000000000 | 0.007215842 | 0.000000000 | 0.010006683 | 0.025675375 | 0.007465423 |
| C10H8O5S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004873176 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C7H13O7SP | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010203690 | 0.006459206 | 0.018261173 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H8O4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011399486 | 0.010720917 | 0.009643773 | 0.014651520 | 0.011233926 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H12O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006057935 | 0.004508593 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H8OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005211981 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H12OS2 | 0.000000000 | 0.000000000 | 0.005430950 | 0.045095874 | 0.056390350 | 0.041867049 | 0.082079310 | 0.061957105 | 0.044026685 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H12O6S | 0.012661673 | 0.019184229 | 0.021086687 | 0.008494183 | 0.019752006 | 0.015246239 | 0.016716900 | 0.037067485 | 0.018803006 | 0.020480296 | 0.027281979 | 0.012471485 |
| C15H12O3S | 0.066605804 | 0.121635679 | 0.141526491 | 0.133036440 | 0.109015703 | 0.137955296 | 0.089918205 | 0.108317683 | 0.087397851 | 0.097392922 | 0.073488729 | 0.032007375 |
| C12H8N4O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007174944 | 0.005179363 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H12O5 | 0.000000000 | 0.007861311 | 0.008768375 | 0.010345877 | 0.011802462 | 0.012245653 | 0.020661077 | 0.016781295 | 0.015637018 | 0.010108576 | 0.000000000 | 0.000000000 |
| C16H16S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005448549 | 0.000000000 | 0.005143473 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H16O5S | 0.324861584 | 0.551371101 | 0.601011409 | 0.120245122 | 0.104056927 | 0.143138224 | 0.053062327 | 0.047948910 | 0.041598350 | 0.451756710 | 0.363471175 | 0.080529101 |
| C14H12N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H16O2S | 0.013743046 | 0.019650155 | 0.019055554 | 0.572170939 | 0.275507675 | 0.493237261 | 0.410422970 | 0.275415871 | 0.240881105 | 0.022029375 | 0.033643618 | 0.031740338 |
| C12H16O7 | 0.009124178 | 0.023369204 | 0.008937140 | 0.000000000 | 0.014225076 | 0.000000000 | 0.008054668 | 0.011187752 | 0.013414298 | 0.025558468 | 0.021320564 | 0.000000000 |
| C13H20O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H21O7P | 0.007865640 | 0.008771371 | 0.007593446 | 0.024019332 | 0.016249940 | 0.013517067 | 0.031678360 | 0.022517335 | 0.034313277 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H16O4 | 0.022257543 | 0.026780322 | 0.027305300 | 0.042003868 | 0.041255756 | 0.042929047 | 0.041847497 | 0.039874754 | 0.033947718 | 0.053036895 | 0.040633712 | 0.019657637 |
| C13H20O4S | 0.068954688 | 0.096210421 | 0.101502863 | 0.065723371 | 0.061204626 | 0.064790755 | 0.068246076 | 0.059566880 | 0.062409222 | 0.079666712 | 0.077088645 | 0.040872371 |
| C17H20OS | 0.000000000 | 0.006657223 | 0.004763871 | 0.018760114 | 0.028889758 | 0.024467429 | 0.030443265 | 0.041778668 | 0.034496075 | 0.006973533 | 0.013825858 | 0.013705332 |
| C13H20O6 | 0.055019325 | 0.071922143 | 0.052179503 | 0.058534872 | 0.077527386 | 0.063952942 | 0.101413111 | 0.131553625 | 0.161658936 | 0.073955533 | 0.067336898 | 0.013959710 |
| C7H20N4O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010091656 |
| C12H20N2O5 | 0.009654148 | 0.005530075 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H20O3 | 0.033249780 | 0.045723020 | 0.046229711 | 0.160839268 | 0.078250565 | 0.103000070 | 0.036116589 | 0.041806480 | 0.043243432 | 0.041964750 | 0.073831777 | 0.052980589 |
| C14H24O3S | 0.179120170 | 0.229338105 | 0.223823864 | 0.169877797 | 0.109346421 | 0.118314954 | 0.143637676 | 0.090057045 | 0.069224348 | 0.205582528 | 0.200814553 | 0.159842794 |
| C18H24S | 0.000000000 | 0.000000000 | 0.004168614 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005271323 | 0.000000000 | 0.013724466 |
| C14H24O5 | 0.069900008 | 0.083387274 | 0.081403576 | 0.117655286 | 0.136206642 | 0.143138338 | 0.160764653 | 0.168853346 | 0.261874791 | 0.072285312 | 0.074231804 | 0.020287300 |
| C18H24O2 | 0.193442292 | 0.216451766 | 0.169125700 | 0.055997830 | 0.032175041 | 0.027565545 | 0.010438539 | 0.015131122 | 0.013159786 | 0.225248497 | 0.404154660 | 1.090391039 |
| C15H28O2S | 0.000000000 | 0.009302470 | 0.009896571 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009266827 | 0.014956879 | 0.015791281 |
| C15H28O4 | 0.148470981 | 0.163390237 | 0.155676166 | 0.104546849 | 0.128685836 | 0.091387329 | 0.055960870 | 0.149897801 | 0.234823333 | 0.160054631 | 0.184739469 | 0.071397301 |
| C19H28O | 0.000000000 | 0.005666370 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.003981643 | 0.000000000 | 0.000000000 |
| C16H32O3 | 0.012515092 | 0.008544509 | 0.005357710 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007249777 | 0.020863788 | 0.023753246 |
| C14H11NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009438016 | 0.000000000 | 0.000000000 | 0.013519879 | 0.007239747 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H15NO5S | 0.000000000 | 0.004765211 | 0.000000000 | 0.000000000 | 0.009221096 | 0.006218864 | 0.000000000 | 0.006378551 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H15NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015905174 | 0.010490878 | 0.007285831 | 0.017807152 | 0.009057788 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H15N3O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.017793761 | 0.015977510 | 0.023845141 | 0.000000000 | 0.000000000 | 0.004256554 | 0.011449862 | 0.000000000 | 0.000000000 |
| C15H15NO4 | 0.010027585 | 0.013863488 | 0.013806701 | 0.011206484 | 0.016638690 | 0.016377680 | 0.000000000 | 0.014204359 | 0.007373614 | 0.013955250 | 0.000000000 | 0.000000000 |
| C12H19NO6 | 0.016078687 | 0.006308953 | 0.005644489 | 0.000000000 | 0.007002620 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H19NO3 | 0.008280330 | 0.012118499 | 0.011256820 | 0.010298068 | 0.012372098 | 0.008751946 | 0.006376018 | 0.005724585 | 0.000000000 | 0.012769943 | 0.000000000 | 0.010476341 |
| C13H23NO5 | 0.034539888 | 0.015324324 | 0.009372527 | 0.012788979 | 0.012583908 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004616862 | 0.009708951 | 0.021665897 | 0.000000000 |
| C12H23N3O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006243854 | 0.000000000 | 0.000000000 |
| C17H23NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009366694 |
| C14H27NO4 | 0.014292087 | 0.007558587 | 0.006997640 | 0.010866372 | 0.006749612 | 0.000000000 | 0.000000000 | 0.004403551 | 0.004906159 | 0.006304493 | 0.000000000 | 0.000000000 |
| C10H10O5S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010806876 | 0.007485970 | 0.011183379 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008783297 | 0.007398856 | 0.009143601 | 0.009775522 | 0.009930041 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H10O7S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005611620 | 0.005016191 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10O4S | 0.005268303 | 0.000000000 | 0.005112564 | 0.019859992 | 0.025638097 | 0.024995893 | 0.024096773 | 0.030079130 | 0.026899246 | 0.009494312 | 0.000000000 | 0.000000000 |
| C11H14O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008375146 |
| C18H10OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006961594 | 0.004666649 | 0.006006820 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H10O6 | 0.004767050 | 0.000000000 | 0.004521194 | 0.000000000 | 0.000000000 | 0.007640020 | 0.005512392 | 0.007329674 | 0.004653922 | 0.006179073 | 0.000000000 | 0.000000000 |
| C15H14OS2 | 0.006078416 | 0.000000000 | 0.000000000 | 0.014052378 | 0.023437650 | 0.020572916 | 0.013935894 | 0.027869517 | 0.017238019 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H14O6S | 0.021013663 | 0.030477877 | 0.032406998 | 0.012628550 | 0.016066595 | 0.015589736 | 0.014882819 | 0.013124748 | 0.010207507 | 0.029736089 | 0.029705574 | 0.015565193 |
| C15H14O3S | 0.013605584 | 0.015400360 | 0.015895056 | 0.125956897 | 0.144928429 | 0.153467546 | 0.146999230 | 0.151678368 | 0.146672591 | 0.016468343 | 0.025515389 | 0.017593841 |
| C11H14O8 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005290087 | 0.000000000 | 0.000000000 |
| C12H18O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H18O8S | 0.022603437 | 0.015428004 | 0.021869865 | 0.009334944 | 0.017776378 | 0.017382344 | 0.005609169 | 0.000000000 | 0.000000000 | 0.011848204 | 0.013730402 | 0.000000000 |
| C15H14O5 | 0.014740628 | 0.018061353 | 0.017520019 | 0.026209503 | 0.030359364 | 0.026954160 | 0.029663091 | 0.035957634 | 0.039093349 | 0.019842547 | 0.017368304 | 0.000000000 |
| C12H18O5S | 0.030688267 | 0.039582080 | 0.042706695 | 0.038122113 | 0.039161250 | 0.039463268 | 0.052800962 | 0.039515283 | 0.038949739 | 0.033723189 | 0.033524473 | 0.019915030 |
| C14H14N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004658716 | 0.000000000 | 0.000000000 |
| C19H14O2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004087096 | 0.000000000 | 0.000000000 |
| C16H18O2S | 0.029965020 | 0.041413986 | 0.037506879 | 0.131136923 | 0.159226371 | 0.134684450 | 0.149634179 | 0.201374259 | 0.167979582 | 0.046182780 | 0.065036880 | 0.093835918 |
| C12H18O7 | 0.012495666 | 0.038113431 | 0.009345310 | 0.010263295 | 0.017244385 | 0.017966923 | 0.016784956 | 0.027952952 | 0.027695709 | 0.022159376 | 0.018796838 | 0.000000000 |
| C16H19O2P | 0.019345208 | 0.013181618 | 0.010998386 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009019584 | 0.000000000 | 0.000000000 |
| C16H18O4 | 0.040241132 | 0.052958052 | 0.054381341 | 0.106452818 | 0.081683060 | 0.093221278 | 0.074637869 | 0.063849051 | 0.068207671 | 0.048001220 | 0.042562096 | 0.026223536 |
| C13H22O4S | 0.127734727 | 0.175710264 | 0.194526738 | 0.107139963 | 0.101910860 | 0.109588334 | 0.099998953 | 0.078552132 | 0.073090515 | 0.164205273 | 0.151603098 | 0.068831059 |
| C15H18N2O3 | 0.000000000 | 0.006104791 | 0.007351650 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004822873 | 0.000000000 | 0.000000000 | 0.006261660 | 0.000000000 | 0.000000000 |
| C20H18O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005133567 | 0.000000000 | 0.000000000 |
| C17H22OS | 0.008617999 | 0.010196935 | 0.012217122 | 0.000000000 | 0.013158578 | 0.007674231 | 0.010728801 | 0.012683598 | 0.010893008 | 0.011599079 | 0.018935004 | 0.019730687 |
| C13H22O6 | 0.040871326 | 0.044272404 | 0.037256924 | 0.039258622 | 0.049946725 | 0.051777593 | 0.077766857 | 0.102177140 | 0.129752422 | 0.048351457 | 0.040524174 | 0.013069290 |
| C12H22N2O5 | 0.012363238 | 0.010187081 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011976645 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H22O3 | 0.068212195 | 0.092738466 | 0.099504891 | 0.170673915 | 0.068108373 | 0.112160337 | 0.044896283 | 0.031385572 | 0.041195383 | 0.087157991 | 0.091797285 | 0.090885269 |
| C14H26O3S | 0.132833430 | 0.186322621 | 0.185077085 | 0.146624068 | 0.094514024 | 0.101677635 | 0.088570033 | 0.057331369 | 0.040764547 | 0.169323833 | 0.186039186 | 0.138732883 |
| C18H26S | 0.000000000 | 0.005502766 | 0.004658030 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006686003 | 0.000000000 | 0.017155213 |
| C14H26O5 | 0.021493591 | 0.024342778 | 0.022994928 | 0.032493007 | 0.036351380 | 0.041937921 | 0.046691340 | 0.041002352 | 0.069904961 | 0.019243234 | 0.021996811 | 0.007746586 |
| C18H26O2 | 0.076805486 | 0.092580583 | 0.072430818 | 0.022357738 | 0.019217692 | 0.016281614 | 0.006607681 | 0.013746773 | 0.014489907 | 0.091198974 | 0.220627636 | 0.606270958 |
| C15H30O4 | 0.004921194 | 0.005633094 | 0.004198707 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004290099 | 0.000000000 | 0.010795940 |
| C10H13NO6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005314637 | 0.000000000 | 0.000000000 |
| C14H13NO3S | 0.000000000 | 0.005703131 | 0.005891644 | 0.000000000 | 0.016300373 | 0.011494346 | 0.006719743 | 0.018670603 | 0.010221405 | 0.005299499 | 0.000000000 | 0.000000000 |
| C9H13N3O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009004543 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H13NO5 | 0.006126982 | 0.010454609 | 0.009996214 | 0.000000000 | 0.012315273 | 0.011810992 | 0.000000000 | 0.008338162 | 0.000000000 | 0.009636795 | 0.000000000 | 0.000000000 |
| C11H17NO5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007430077 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H17NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013702213 | 0.007405061 | 0.006138247 | 0.009498583 | 0.005191713 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H17NO7 | 0.000000000 | 0.006163121 | 0.007066643 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007555730 | 0.015461229 | 0.010577869 |
| C15H17NO4 | 0.016814874 | 0.024091152 | 0.029020623 | 0.000000000 | 0.015758076 | 0.013769238 | 0.006322503 | 0.009620198 | 0.007528704 | 0.018840079 | 0.012704288 | 0.000000000 |
| C12H21NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005420872 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H21NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H21NO6 | 0.030581997 | 0.011027136 | 0.009908772 | 0.008755222 | 0.009838527 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005504989 | 0.012118658 | 0.000000000 |
| C11H21N3O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004385322 | 0.000000000 | 0.000000000 |
| C16H21NO3 | 0.008389950 | 0.010257287 | 0.012333706 | 0.008411679 | 0.008344449 | 0.007363723 | 0.000000000 | 0.005015096 | 0.000000000 | 0.012876358 | 0.019670615 | 0.013601808 |
| C13H25NO5 | 0.056626739 | 0.031631957 | 0.022958377 | 0.010083308 | 0.011248736 | 0.007518408 | 0.000000000 | 0.000000000 | 0.000000000 | 0.018274404 | 0.033698384 | 0.000000000 |
| C17H25NO2 | 0.005325064 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H29NO | 0.010982326 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O3S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005812888 | 0.005573483 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H8O5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006568386 | 0.009103349 | 0.009961070 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O5S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007426796 | 0.000000000 | 0.005487852 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016140072 | 0.015965883 | 0.014578956 | 0.014613136 | 0.018372700 | 0.010626928 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H12O7S | 0.000000000 | 0.000000000 | 0.005381641 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007752062 | 0.007324547 | 0.005424219 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H12O4S | 0.024087919 | 0.032572556 | 0.032421392 | 0.046238755 | 0.051312896 | 0.053591988 | 0.087089842 | 0.077581106 | 0.116019363 | 0.029697671 | 0.032529007 | 0.016868648 |
| C11H16O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004029267 | 0.000000000 | 0.000000000 |
| C14H12O6 | 0.008766892 | 0.010451752 | 0.011356476 | 0.011924796 | 0.012047955 | 0.013921394 | 0.008437585 | 0.011205328 | 0.007500109 | 0.012058972 | 0.000000000 | 0.000000000 |
| C15H16OS2 | 0.006767173 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009695676 | 0.006996616 | 0.009773933 | 0.006119465 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H16O6S | 0.012164809 | 0.015619730 | 0.016365688 | 0.020272876 | 0.023760556 | 0.027258596 | 0.031237855 | 0.022437623 | 0.017579139 | 0.017500778 | 0.017263316 | 0.000000000 |
| C15H16O3S | 0.029659247 | 0.034341314 | 0.036096304 | 0.074715421 | 0.087491571 | 0.086092318 | 0.084949008 | 0.084168342 | 0.084972854 | 0.039827003 | 0.053803987 | 0.056878432 |
| C12H20O3S2 | 0.000000000 | 0.000000000 | 0.005855114 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005745052 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H16N2O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C19H16S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005870634 | 0.008919294 | 0.014060643 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H16O5 | 0.029222443 | 0.035288861 | 0.037933761 | 0.092871770 | 0.074598694 | 0.080636653 | 0.062206399 | 0.064239984 | 0.069880443 | 0.037200408 | 0.035490853 | 0.010795567 |
| C12H20O5S | 0.139881998 | 0.178744566 | 0.176129217 | 0.187115482 | 0.139352445 | 0.161380776 | 0.155169571 | 0.107126289 | 0.097166929 | 0.135651250 | 0.118542959 | 0.033120002 |
| C14H16N2O4 | 0.010585848 | 0.007666467 | 0.007581645 | 0.011376482 | 0.010901294 | 0.018563655 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010954495 | 0.000000000 | 0.000000000 |
| C19H16O2 | 0.000000000 | 0.000000000 | 0.005036420 | 0.012288268 | 0.019023927 | 0.013853261 | 0.006275153 | 0.006558548 | 0.006015061 | 0.007856442 | 0.000000000 | 0.010773331 |
| C16H20O2S | 0.065836859 | 0.073695341 | 0.067682799 | 0.043120317 | 0.041953245 | 0.033464498 | 0.035840778 | 0.040184206 | 0.036288049 | 0.081852843 | 0.139760751 | 0.318119802 |
| C12H20O7 | 0.008512737 | 0.008746266 | 0.004881743 | 0.009546329 | 0.010051595 | 0.008899313 | 0.009969189 | 0.014078596 | 0.015144288 | 0.013857249 | 0.000000000 | 0.000000000 |
| C18H16N2O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006297323 | 0.000000000 | 0.000000000 |
| C16H20O4 | 0.091702558 | 0.093561854 | 0.094556933 | 0.207676837 | 0.186833056 | 0.178839001 | 0.198645735 | 0.177806725 | 0.226262061 | 0.087348545 | 0.085478380 | 0.053075633 |
| C13H24O4S | 0.190123899 | 0.265853979 | 0.291525458 | 0.143244381 | 0.122823136 | 0.137258903 | 0.086925256 | 0.067325167 | 0.049996587 | 0.298851496 | 0.268705352 | 0.120929699 |
| C20H20O | 0.000000000 | 0.000000000 | 0.005477064 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007061760 | 0.000000000 | 0.008377506 |
| C17H24OS | 0.018459458 | 0.023057919 | 0.022709312 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.024559046 | 0.023144109 | 0.025368055 |
| C13H24O6 | 0.025448637 | 0.010511076 | 0.008809773 | 0.009642190 | 0.013026925 | 0.010623743 | 0.014617386 | 0.008641407 | 0.018538809 | 0.011883957 | 0.000000000 | 0.000000000 |
| C17H24O3 | 0.075088986 | 0.085571080 | 0.082907350 | 0.070830590 | 0.049639465 | 0.047805219 | 0.030529829 | 0.030873230 | 0.042737627 | 0.078296869 | 0.099268097 | 0.105082293 |
| C14H28O3S | 0.046989066 | 0.071105494 | 0.076532563 | 0.015842985 | 0.010457151 | 0.016615275 | 0.000000000 | 0.000000000 | 0.000000000 | 0.085759147 | 0.105896271 | 0.052045479 |
| C18H28O2 | 0.026257890 | 0.031261990 | 0.028396678 | 0.013943494 | 0.009584237 | 0.008458580 | 0.000000000 | 0.007333395 | 0.006592855 | 0.035880475 | 0.150236514 | 0.483971282 |
| C13H11NO4S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009007005 | 0.005532753 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H15NO3S | 0.006599978 | 0.006275850 | 0.006946637 | 0.009613899 | 0.014081859 | 0.008347588 | 0.007084103 | 0.014454682 | 0.009129637 | 0.006537352 | 0.000000000 | 0.000000000 |
| C14H16NO3P | 0.009211979 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H15NO5 | 0.011643161 | 0.014677282 | 0.014916704 | 0.011576237 | 0.020016953 | 0.012193379 | 0.006361576 | 0.013124056 | 0.006867745 | 0.014585581 | 0.000000000 | 0.000000000 |
| C18H15NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004208370 | 0.000000000 | 0.000000000 |
| C15H19NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004653819 | 0.003807006 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H19NO4 | 0.012420173 | 0.014132494 | 0.015010484 | 0.011090670 | 0.013206389 | 0.011516332 | 0.008284280 | 0.010421112 | 0.005188480 | 0.012703211 | 0.018422781 | 0.009700090 |
| C12H23NO6 | 0.016920909 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H23NO3 | 0.011625336 | 0.010792498 | 0.010591914 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004099989 | 0.012127412 | 0.000000000 | 0.000000000 |
| C17H27NO2 | 0.012398768 | 0.005567318 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H31NO | 0.043538590 | 0.009574610 | 0.005007790 | 0.011328697 | 0.007578800 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O3S2 | 0.000000000 | 0.000000000 | 0.004214784 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006769578 | 0.005427453 | 0.004910102 | 0.000000000 | 0.000000000 |
| C13H10O5S | 0.000000000 | 0.008286434 | 0.005341326 | 0.009235460 | 0.010784946 | 0.013867722 | 0.019349769 | 0.022752072 | 0.025884172 | 0.007718574 | 0.011948972 | 0.008458132 |
| C10H14O5S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010424743 | 0.000000000 | 0.000000000 | 0.008550729 | 0.006958076 | 0.003933404 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H6N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H10O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004376709 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H10O7 | 0.005429287 | 0.000000000 | 0.006374121 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005975935 | 0.000000000 | 0.000000000 |
| C14H14O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014382422 | 0.014067596 | 0.007249075 | 0.010321079 | 0.022898008 | 0.017215179 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H14O7S | 0.004567280 | 0.006531556 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008270786 | 0.008483293 | 0.007263446 | 0.006418758 | 0.000000000 | 0.000000000 |
| C10H15O7P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.003857539 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H14O4S | 0.237789839 | 0.340521276 | 0.366624782 | 0.190448514 | 0.162950616 | 0.160993424 | 0.287115012 | 0.191649926 | 0.349405323 | 0.283874962 | 0.305888343 | 0.173587756 |
| C11H18O4S2 | 0.007258060 | 0.009688029 | 0.010864618 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008077247 | 0.000000000 | 0.000000000 |
| C14H15O4P | 0.031294097 | 0.041892134 | 0.044910379 | 0.009362717 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.030103760 | 0.022524620 | 0.000000000 |
| C18H14OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.009565894 | 0.011278309 | 0.009644501 | 0.011716796 | 0.015289401 | 0.014404958 | 0.004938793 | 0.000000000 | 0.000000000 |
| C14H14O6 | 0.018690677 | 0.021378167 | 0.024704801 | 0.020659224 | 0.025116481 | 0.024192181 | 0.016336137 | 0.026240280 | 0.029866215 | 0.024055822 | 0.023553148 | 0.000000000 |
| C11H18O6S | 0.051158837 | 0.067980742 | 0.065634709 | 0.424604262 | 0.333368285 | 0.343447101 | 0.312410232 | 0.152460253 | 0.102599715 | 0.052517533 | 0.055979757 | 0.013151403 |
| C13H14N2O5 | 0.000000000 | 0.000000000 | 0.005192954 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004192618 | 0.000000000 | 0.005120649 | 0.000000000 | 0.000000000 |
| C18H14O3 | 0.005630746 | 0.007727862 | 0.007652252 | 0.024861363 | 0.015947875 | 0.021396161 | 0.016805496 | 0.008314835 | 0.000000000 | 0.007072092 | 0.000000000 | 0.000000000 |
| C15H18O3S | 0.073716130 | 0.085983784 | 0.089608933 | 0.104186240 | 0.095634860 | 0.096421554 | 0.088409367 | 0.082057806 | 0.144012523 | 0.081854793 | 0.076949945 | 0.075297986 |
| C19H18S | 0.000000000 | 0.005996178 | 0.000000000 | 0.011676920 | 0.008179101 | 0.007642502 | 0.015858591 | 0.015629912 | 0.025316318 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H18O5 | 0.053120997 | 0.061427045 | 0.079084298 | 0.120201885 | 0.095924149 | 0.114230488 | 0.117360538 | 0.108073104 | 0.125786730 | 0.062539106 | 0.057084526 | 0.018706325 |
| C12H22O5S | 0.100641662 | 0.140782502 | 0.155681781 | 0.053285155 | 0.054869370 | 0.060959639 | 0.029716613 | 0.029123955 | 0.019238878 | 0.109360167 | 0.089254006 | 0.031787472 |
| C14H18N2O4 | 0.004325681 | 0.000000000 | 0.006303889 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005253698 | 0.000000000 | 0.000000000 |
| C19H18O2 | 0.010308734 | 0.012708345 | 0.011514659 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006834018 | 0.008476420 | 0.000000000 | 0.013256453 | 0.023100908 | 0.028480639 |
| C16H22O2S | 0.021096844 | 0.023786527 | 0.023911129 | 0.016206122 | 0.010898724 | 0.011088863 | 0.009267203 | 0.006501304 | 0.006755976 | 0.025194075 | 0.047485149 | 0.067488781 |
| C12H22O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004179491 | 0.000000000 | 0.000000000 |
| C16H22O4 | 0.163315125 | 0.166492118 | 0.153331889 | 0.236011234 | 0.210720566 | 0.179231109 | 0.186856507 | 0.212995879 | 0.291751273 | 0.142011019 | 0.163116266 | 0.077282175 |
| C13H26O4S | 0.079502313 | 0.115009778 | 0.126182782 | 0.026790731 | 0.024238455 | 0.025195726 | 0.009536891 | 0.005217583 | 0.000000000 | 0.160922632 | 0.170049178 | 0.079673290 |
| C15H22N2O3 | 0.006898323 | 0.011006778 | 0.011677183 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014283557 | 0.000000000 | 0.000000000 |
| C20H22O | 0.000000000 | 0.006334286 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006807817 | 0.000000000 | 0.000000000 |
| C17H26OS | 0.013853492 | 0.014409990 | 0.018330096 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.020769278 | 0.018782214 | 0.018006878 |
| C17H26O3 | 0.114877887 | 0.132317990 | 0.133432580 | 0.059971652 | 0.045199784 | 0.044748546 | 0.022034253 | 0.023627732 | 0.027529324 | 0.126655469 | 0.155421570 | 0.180761268 |
| C21H26 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008482236 |
| C18H30S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007762047 |
| C18H30O2 | 0.015196244 | 0.011583257 | 0.010102292 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012118346 | 0.150012458 | 0.559472218 |
| C13H13NO4S | 0.005012337 | 0.005932551 | 0.006390687 | 0.000000000 | 0.027194214 | 0.014670239 | 0.008708197 | 0.027846259 | 0.018978509 | 0.007271708 | 0.000000000 | 0.000000000 |
| C17H13NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010245656 | 0.004843239 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H13NO6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005115908 | 0.000000000 | 0.006456802 | 0.000000000 | 0.000000000 |
| C17H13NO3 | 0.000000000 | 0.000000000 | 0.004937640 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C14H17NO3S | 0.006292412 | 0.009509507 | 0.008959386 | 0.000000000 | 0.012942857 | 0.010062178 | 0.005643083 | 0.007431521 | 0.006479304 | 0.010048208 | 0.000000000 | 0.000000000 |
| C14H17NO5 | 0.010449415 | 0.013917505 | 0.015993546 | 0.010717114 | 0.016243585 | 0.013135892 | 0.000000000 | 0.007947465 | 0.004354496 | 0.015948002 | 0.019065211 | 0.000000000 |
| C18H17NO2 | 0.000000000 | 0.000000000 | 0.004459565 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007249887 | 0.000000000 | 0.000000000 |
| C15H21NO4 | 0.022071822 | 0.016420595 | 0.015274853 | 0.009749230 | 0.010985230 | 0.008167365 | 0.007567861 | 0.005313137 | 0.000000000 | 0.012560380 | 0.016570206 | 0.008396141 |
| C16H25NO3 | 0.014935884 | 0.009953758 | 0.008525109 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008122114 | 0.000000000 | 0.000000000 |
| C17H29NO2 | 0.023009995 | 0.007553394 | 0.005458056 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006143771 | 0.000000000 | 0.000000000 |
| C12H8O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008869784 | 0.009651912 | 0.000000000 | 0.005073250 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H8OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005077877 | 0.013911820 | 0.005194028 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H12S2 | 0.011492324 | 0.006650173 | 0.009410243 | 0.000000000 | 0.006724865 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006526768 | 0.000000000 | 0.000000000 |
| C13H12O5S | 0.018964872 | 0.026410077 | 0.025719084 | 0.022472557 | 0.027877276 | 0.026951541 | 0.028038745 | 0.036963589 | 0.036800359 | 0.027829274 | 0.061507514 | 0.062938204 |
| C10H16O5S2 | 0.004981156 | 0.000000000 | 0.005772868 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H8N2O4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H12O2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.011276845 | 0.015129032 | 0.016308104 | 0.015049444 | 0.019293501 | 0.014657845 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H12O7 | 0.000000000 | 0.006853519 | 0.006438485 | 0.000000000 | 0.008734240 | 0.009693091 | 0.005090283 | 0.010031118 | 0.008609779 | 0.009261159 | 0.000000000 | 0.000000000 |
| C14H16O2S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008781017 | 0.007887111 | 0.008991647 | 0.006210123 | 0.011764776 | 0.006316866 | 0.000000000 | 0.000000000 | 0.000000000 |
| C10H16O7S | 0.013014070 | 0.009747430 | 0.012722657 | 0.040285336 | 0.055491655 | 0.044945580 | 0.070411526 | 0.066661609 | 0.042949630 | 0.014066516 | 0.000000000 | 0.000000000 |
| C17H12O4 | 0.000000000 | 0.000000000 | 0.004337006 | 0.000000000 | 0.000000000 | 0.008017433 | 0.005979582 | 0.005229700 | 0.005737529 | 0.004940732 | 0.000000000 | 0.000000000 |
| C14H16O4S | 0.021635978 | 0.029078985 | 0.028912762 | 0.057833824 | 0.077579023 | 0.076802892 | 0.106361690 | 0.101265282 | 0.159994305 | 0.026576617 | 0.028852433 | 0.018639153 |
| C11H20O4S2 | 0.005734893 | 0.008521586 | 0.007654090 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007806440 | 0.000000000 | 0.000000000 |
| C16H12N2O3 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H16OS | 0.000000000 | 0.000000000 | 0.005738539 | 0.015178392 | 0.017892577 | 0.017428510 | 0.025700308 | 0.037616795 | 0.031290881 | 0.006836626 | 0.000000000 | 0.000000000 |
| C14H16O6 | 0.033172433 | 0.040125599 | 0.045599730 | 0.039809674 | 0.048921277 | 0.046387477 | 0.084656576 | 0.096234563 | 0.095864550 | 0.053987696 | 0.044975303 | 0.008470607 |
| C15H20OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006610543 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C11H20O6S | 0.107231913 | 0.134278273 | 0.145283954 | 0.029793312 | 0.029241018 | 0.038759266 | 0.013073297 | 0.019501994 | 0.010842341 | 0.100364255 | 0.090515402 | 0.022696436 |
| C13H16N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005676552 | 0.000000000 | 0.000000000 |
| C18H16O3 | 0.007963798 | 0.008758500 | 0.009419685 | 0.019294644 | 0.014467923 | 0.019459798 | 0.011570582 | 0.010500190 | 0.008828503 | 0.011611690 | 0.014305770 | 0.012597835 |
| C15H20O3S | 0.061172122 | 0.072278391 | 0.065811584 | 0.057728164 | 0.046648514 | 0.045471721 | 0.056298302 | 0.041438505 | 0.047231949 | 0.067417114 | 0.066040728 | 0.074410537 |
| C11H20O8 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010806876 | 0.000000000 | 0.000000000 |
| C19H20S | 0.005752846 | 0.006670997 | 0.006105749 | 0.010434549 | 0.007853622 | 0.008533839 | 0.016296982 | 0.012977355 | 0.024580261 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H20O5 | 0.045231662 | 0.055570340 | 0.055636933 | 0.082650180 | 0.101422687 | 0.097086409 | 0.112257373 | 0.120332081 | 0.174982333 | 0.068063685 | 0.064193260 | 0.025698087 |
| C12H24O5S | 0.069765393 | 0.091197384 | 0.099110507 | 0.019109682 | 0.020470175 | 0.026055359 | 0.006646604 | 0.012438850 | 0.006741237 | 0.081264098 | 0.080687504 | 0.027580452 |
| C14H20N2O4 | 0.006576380 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006880452 | 0.000000000 | 0.000000000 |
| C19H20O2 | 0.021428381 | 0.024657263 | 0.021681814 | 0.012231706 | 0.009015864 | 0.011758559 | 0.010446660 | 0.008697079 | 0.007061111 | 0.036544343 | 0.049889400 | 0.098804975 |
| C16H24O2S | 0.031912148 | 0.039904568 | 0.039262489 | 0.020807730 | 0.010268483 | 0.012835085 | 0.007155077 | 0.000000000 | 0.004670282 | 0.045892394 | 0.062993375 | 0.113507757 |
| C16H24O4 | 0.108291824 | 0.144448473 | 0.113535060 | 0.115289324 | 0.142746113 | 0.113921128 | 0.115847479 | 0.160466801 | 0.156860998 | 0.107988233 | 0.108647778 | 0.078785831 |
| C13H28O4S | 0.019308740 | 0.017535040 | 0.017525724 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.017450912 | 0.024433856 | 0.011109835 |
| C20H24O | 0.000000000 | 0.006202226 | 0.005673000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007776233 | 0.016324850 | 0.014041504 |
| C17H28OS | 0.008764124 | 0.016129556 | 0.013503995 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.018319729 | 0.020634122 | 0.017564578 |
| C17H28O3 | 0.143839263 | 0.182981313 | 0.181232870 | 0.061084707 | 0.048900752 | 0.042295838 | 0.015638326 | 0.024400797 | 0.024834907 | 0.178435370 | 0.253553343 | 0.289635873 |
| C18H32O2 | 0.008427612 | 0.005017879 | 0.005644928 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004885330 | 0.086211208 | 0.286685194 |
| C16H11NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004785846 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H11NO4 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004820460 | 0.000000000 | 0.000000000 |
| C13H15NO4S | 0.000000000 | 0.006740105 | 0.006986272 | 0.009031948 | 0.012878157 | 0.010381083 | 0.006767934 | 0.017939422 | 0.011698247 | 0.006132086 | 0.000000000 | 0.000000000 |
| C17H15NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007025750 | 0.000000000 | 0.005509157 | 0.009165185 | 0.005026778 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H15NO6 | 0.000000000 | 0.007922559 | 0.006370683 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010174729 | 0.000000000 | 0.000000000 |
| C17H15NO3 | 0.005223951 | 0.006882269 | 0.008042517 | 0.000000000 | 0.009848676 | 0.011262799 | 0.000000000 | 0.008715283 | 0.000000000 | 0.008696433 | 0.000000000 | 0.000000000 |
| C14H19NO3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004841483 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H19NS | 0.007741076 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.011222446 |
| C14H19NO5 | 0.012735905 | 0.012245694 | 0.018339073 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005536351 | 0.000000000 | 0.013026996 | 0.000000000 | 0.000000000 |
| C18H19NO2 | 0.010705766 | 0.012300982 | 0.011520561 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.012222190 | 0.021359936 | 0.017820277 |
| C15H23NO4 | 0.016839218 | 0.009916394 | 0.006734800 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008467501 | 0.000000000 | 0.000000000 |
| C16H27NO3 | 0.094600989 | 0.031054196 | 0.019051616 | 0.018179671 | 0.013901066 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.019101950 | 0.040863636 | 0.000000000 |
| C17H31NO2 | 0.027530727 | 0.008585983 | 0.005752086 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005625440 | 0.000000000 | 0.000000000 |
| C18H35NO | 0.004857122 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O4S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005879366 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H10OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005716925 | 0.027459716 | 0.012590025 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H10O6S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006572450 | 0.000000000 | 0.000000000 | 0.013309906 | 0.000000000 |
| C16H10O3S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008302193 | 0.010950752 | 0.010765898 | 0.009704721 | 0.000000000 | 0.000000000 | 0.000000000 |
| C9H15O8P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H10O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004308703 | 0.000000000 | 0.000000000 |
| C17H14S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007268061 | 0.006265006 | 0.004839026 | 0.000000000 | 0.000000000 | 0.000000000 |
| C13H14O5S | 0.015579803 | 0.018192411 | 0.021214823 | 0.022396264 | 0.028520253 | 0.023544032 | 0.044179547 | 0.036673494 | 0.045836484 | 0.020207291 | 0.024695006 | 0.029923336 |
| C10H18O5S2 | 0.012590072 | 0.017410704 | 0.016927468 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.013125542 | 0.000000000 | 0.000000000 |
| C17H14O2S | 0.004292229 | 0.005625841 | 0.006876247 | 0.025078770 | 0.041392504 | 0.036004441 | 0.037460521 | 0.069609522 | 0.048839314 | 0.010306996 | 0.015157522 | 0.014928053 |
| C13H14O7 | 0.008680159 | 0.009648888 | 0.010327698 | 0.011213769 | 0.014893886 | 0.011448997 | 0.006048917 | 0.008789076 | 0.006979365 | 0.016038401 | 0.016957417 | 0.000000000 |
| C10H18O7S | 0.014287257 | 0.012850746 | 0.014030705 | 0.008035759 | 0.007055362 | 0.011712043 | 0.006135892 | 0.011387827 | 0.006760685 | 0.013374750 | 0.000000000 | 0.000000000 |
| C17H14O4 | 0.009002422 | 0.014611580 | 0.016371263 | 0.019297581 | 0.015725538 | 0.016018149 | 0.015376640 | 0.014750923 | 0.012639039 | 0.012340953 | 0.013310052 | 0.008179238 |
| C14H18O4S | 0.074751519 | 0.090409856 | 0.095812403 | 0.051652567 | 0.051010547 | 0.054475851 | 0.042845652 | 0.038077128 | 0.042402852 | 0.080673301 | 0.094290856 | 0.060193802 |
| C18H18OS | 0.005361052 | 0.006302966 | 0.005368517 | 0.017553335 | 0.018452905 | 0.019432844 | 0.023964839 | 0.028536815 | 0.029360186 | 0.009128421 | 0.000000000 | 0.000000000 |
| C14H18O6 | 0.027818077 | 0.034537322 | 0.032876990 | 0.025012757 | 0.034160959 | 0.034153450 | 0.026303332 | 0.043496993 | 0.067874606 | 0.060118388 | 0.047417549 | 0.012861323 |
| C11H22O6S | 0.059741998 | 0.071269815 | 0.078612987 | 0.009674372 | 0.012931073 | 0.015287506 | 0.006094755 | 0.007715563 | 0.004406600 | 0.060118391 | 0.048960320 | 0.011646697 |
| C8H18N4O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.023176169 |
| C13H18N2O5 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005331632 | 0.000000000 | 0.000000000 |
| C18H18O3 | 0.016811574 | 0.019045259 | 0.017458760 | 0.037420917 | 0.030162940 | 0.031445109 | 0.030173380 | 0.019107680 | 0.019457423 | 0.020207357 | 0.032551818 | 0.030801018 |
| C15H22O3S | 0.100187569 | 0.121709890 | 0.114886810 | 0.043301243 | 0.030989411 | 0.035127700 | 0.027834894 | 0.021623049 | 0.018341161 | 0.108663598 | 0.100461989 | 0.088251220 |
| C19H22S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005688226 | 0.004559220 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C15H22O5 | 0.056891937 | 0.066153202 | 0.066613413 | 0.061008306 | 0.119276846 | 0.089294863 | 0.099282332 | 0.189040849 | 0.240158119 | 0.075366248 | 0.068921080 | 0.027354289 |
| C12H26O5S | 0.034592461 | 0.021382520 | 0.023552332 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.022746439 | 0.031370988 | 0.010389189 |
| C14H22N2O4 | 0.004877733 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H27O5P | 0.010488410 | 0.009246279 | 0.004818582 | 0.082811760 | 0.198741727 | 0.140539334 | 0.033392952 | 0.029572188 | 0.019496617 | 0.000000000 | 0.032856633 | 0.000000000 |
| C19H22O2 | 0.027667748 | 0.030257708 | 0.024477313 | 0.011864698 | 0.008235762 | 0.008806498 | 0.006496215 | 0.006539565 | 0.006653040 | 0.040008011 | 0.069949621 | 0.132486771 |
| C16H26O2S | 0.048284387 | 0.066437478 | 0.058763686 | 0.027761393 | 0.014460102 | 0.013792121 | 0.007132303 | 0.000000000 | 0.000000000 | 0.068954636 | 0.112308963 | 0.183768424 |
| C12H26O7 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015597720 | 0.008741981 | 0.006861700 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H26O4 | 0.264261379 | 0.278999553 | 0.265431895 | 0.279677019 | 0.358745908 | 0.273385255 | 0.252601604 | 0.399164300 | 0.429100730 | 0.242176404 | 0.247462697 | 0.157669748 |
| C20H26O | 0.000000000 | 0.000000000 | 0.005174856 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006794863 | 0.016733884 | 0.012982272 |
| C17H30OS | 0.008784126 | 0.013510198 | 0.015758886 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.015304418 | 0.021495507 | 0.018883734 |
| C17H30O3 | 0.111702612 | 0.139902522 | 0.134186260 | 0.035993920 | 0.031516394 | 0.029584437 | 0.009011791 | 0.011624198 | 0.012185451 | 0.134202449 | 0.215617086 | 0.245988194 |
| C16H30N2O2 | 0.004414131 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H34O2 | 0.017266434 | 0.000000000 | 0.000000000 | 0.019003811 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.019886195 | 0.075558166 |
| C12H13NO5S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006822498 | 0.000000000 | 0.007084043 | 0.005951965 | 0.000000000 | 0.011883584 | 0.000000000 |
| C16H13NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.008402138 | 0.000000000 | 0.000000000 | 0.010721610 | 0.006390975 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H13NO4 | 0.004705032 | 0.000000000 | 0.005278777 | 0.000000000 | 0.006555520 | 0.000000000 | 0.000000000 | 0.008480726 | 0.000000000 | 0.005037890 | 0.000000000 | 0.000000000 |
| C13H17NO4S | 0.006260772 | 0.006787624 | 0.007472458 | 0.000000000 | 0.010496742 | 0.009901103 | 0.000000000 | 0.007855361 | 0.000000000 | 0.005079986 | 0.011609865 | 0.000000000 |
| C17H17NOS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005099363 | 0.000000000 | 0.000000000 |
| C13H17NO6 | 0.007392235 | 0.007585146 | 0.006660001 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009833162 | 0.014954937 | 0.000000000 |
| C17H17NO3 | 0.004508141 | 0.006621842 | 0.006094409 | 0.009342180 | 0.009541179 | 0.007200088 | 0.000000000 | 0.004657330 | 0.000000000 | 0.008529972 | 0.000000000 | 0.000000000 |
| C18H21NS | 0.004859052 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.016481171 |
| C14H21NO5 | 0.019512333 | 0.009172293 | 0.010144294 | 0.009074623 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009031742 | 0.000000000 | 0.000000000 |
| C18H21NO2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005283782 | 0.000000000 | 0.000000000 |
| C15H25NO4 | 0.037844633 | 0.018098831 | 0.011481783 | 0.009841098 | 0.009404363 | 0.000000000 | 0.000000000 | 0.005609326 | 0.000000000 | 0.009681695 | 0.020178581 | 0.000000000 |
| C16H29NO3 | 0.045965291 | 0.015528701 | 0.012791147 | 0.000000000 | 0.009027330 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.009883777 | 0.017974029 | 0.000000000 |
| C17H33NO2 | 0.010826103 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H12O7S2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.010492657 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005618120 | 0.000000000 | 0.000000000 | 0.000000000 |
| C8H13O7SP | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006316787 | 0.000000000 | 0.004810304 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H12OS2 | 0.006417491 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007535487 | 0.005954077 | 0.011578407 | 0.011386006 | 0.007933904 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H12O6S | 0.000000000 | 0.007667044 | 0.007460808 | 0.000000000 | 0.008398116 | 0.006791917 | 0.008412392 | 0.011799446 | 0.009405940 | 0.008584709 | 0.012333207 | 0.035458604 |
| C9H16O6S2 | 0.000000000 | 0.005941757 | 0.005335881 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004376239 | 0.000000000 | 0.000000000 |
| C16H12O3S | 0.000000000 | 0.000000000 | 0.005709316 | 0.033578366 | 0.029886294 | 0.038286328 | 0.033048879 | 0.036216579 | 0.030366934 | 0.008554416 | 0.013661731 | 0.008462469 |
| C13H16O3S2 | 0.004670219 | 0.000000000 | 0.003861724 | 0.000000000 | 0.000000000 | 0.007615162 | 0.000000000 | 0.005387709 | 0.004939261 | 0.000000000 | 0.000000000 | 0.007604760 |
| C16H12O5 | 0.005576104 | 0.007213054 | 0.008302998 | 0.012376200 | 0.014844603 | 0.013696804 | 0.055165729 | 0.075586940 | 0.083595180 | 0.009074705 | 0.000000000 | 0.000000000 |
| C17H16S2 | 0.022127060 | 0.020350132 | 0.022966578 | 0.049858292 | 0.032871931 | 0.030658135 | 0.041250077 | 0.022882373 | 0.021769747 | 0.014966063 | 0.014533144 | 0.000000000 |
| C13H16O5S | 0.064441649 | 0.089590724 | 0.096239172 | 0.035375526 | 0.033512446 | 0.038948828 | 0.031476182 | 0.026572042 | 0.024596315 | 0.077711807 | 0.073858117 | 0.032304424 |
| C10H20O5S2 | 0.006739780 | 0.009398296 | 0.008938920 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006473354 | 0.000000000 | 0.000000000 |
| C10H12N4O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H16O2S | 0.008642839 | 0.011644739 | 0.010232638 | 0.045656200 | 0.047128517 | 0.048593714 | 0.042584020 | 0.057868214 | 0.045694392 | 0.015541913 | 0.028451383 | 0.050860973 |
| C13H16O7 | 0.012209040 | 0.015119009 | 0.012498191 | 0.011322396 | 0.014384904 | 0.014617472 | 0.008690342 | 0.013571365 | 0.016103572 | 0.034689250 | 0.029022782 | 0.000000000 |
| C10H20O7S | 0.010289885 | 0.007098586 | 0.009135805 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.006837056 | 0.000000000 | 0.000000000 |
| C19H12N2O | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H16N2O6 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004717251 | 0.000000000 | 0.000000000 |
| C10H21O7P | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.014246324 | 0.007317702 | 0.011086915 | 0.000000000 | 0.000000000 | 0.000000000 |
| C17H16O4 | 0.014794190 | 0.018336671 | 0.018410510 | 0.063786115 | 0.055517190 | 0.067863987 | 0.103005978 | 0.074475210 | 0.072367274 | 0.018821829 | 0.021489936 | 0.010282104 |
| C14H20O4S | 0.061892353 | 0.081884204 | 0.084764580 | 0.041639111 | 0.045599577 | 0.038432526 | 0.035552103 | 0.034951995 | 0.040929065 | 0.072889648 | 0.094866439 | 0.066759330 |
| C14H21O4P | 0.011965593 | 0.012390948 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C18H20OS | 0.000000000 | 0.005699039 | 0.007648381 | 0.010830215 | 0.018656750 | 0.012854155 | 0.018145197 | 0.025515909 | 0.022350767 | 0.006059203 | 0.000000000 | 0.010870367 |
| C14H20O6 | 0.038389840 | 0.044172616 | 0.040241061 | 0.037119879 | 0.056116401 | 0.047580556 | 0.058475898 | 0.086871394 | 0.107043322 | 0.069791609 | 0.057040202 | 0.014549243 |
| C15H24OS2 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.004569108 | 0.000000000 | 0.000000000 |
| C11H24O6S | 0.006122196 | 0.007623711 | 0.007070280 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005392452 | 0.000000000 | 0.000000000 |
| C18H20O3 | 0.023759850 | 0.027164510 | 0.026591522 | 0.035468126 | 0.029772761 | 0.031408369 | 0.022418719 | 0.020860411 | 0.020190055 | 0.029463013 | 0.036870029 | 0.031808489 |
| C15H24O3S | 0.311010664 | 0.361878680 | 0.342631138 | 0.121003680 | 0.083493167 | 0.086218511 | 0.086504842 | 0.059466421 | 0.047926968 | 0.325044527 | 0.271846242 | 0.268172112 |
| C15H24O5 | 0.085667063 | 0.103930069 | 0.092539373 | 0.119840856 | 0.164445703 | 0.158584272 | 0.167890862 | 0.226119880 | 0.320269626 | 0.078978052 | 0.095514131 | 0.033996126 |
| C14H24N2O4 | 0.005501916 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C19H24O2 | 0.076071283 | 0.081536846 | 0.065990261 | 0.016548740 | 0.007641548 | 0.011105472 | 0.000000000 | 0.005017803 | 0.000000000 | 0.100502821 | 0.189413218 | 0.475638981 |
| C16H28O2S | 0.019756869 | 0.027140861 | 0.025991578 | 0.012544842 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.027227062 | 0.044945813 | 0.074746743 |
| C16H28O4 | 0.286605895 | 0.304269041 | 0.285533065 | 0.209803214 | 0.268498034 | 0.200748950 | 0.142859182 | 0.285766067 | 0.390248392 | 0.272889477 | 0.294168808 | 0.147395770 |
| C17H32OS | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.005459883 | 0.000000000 | 0.000000000 |
| C17H32O3 | 0.026674489 | 0.033505146 | 0.030941463 | 0.000000000 | 0.009307463 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.029314932 | 0.063401944 | 0.075052065 |
| C18H36O2 | 0.067836182 | 0.031041610 | 0.011264019 | 0.081757671 | 0.026270756 | 0.025280610 | 0.033267286 | 0.008031805 | 0.000000000 | 0.016673550 | 0.033099097 | 0.270003761 |
| C15H11NO3S | 0.004912908 | 0.008485322 | 0.007074220 | 0.000000000 | 0.009344563 | 0.000000000 | 0.000000000 | 0.009972823 | 0.005019956 | 0.007705061 | 0.000000000 | 0.000000000 |
| C15H11NO5 | 0.021469252 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 |
| C12H15NO5S | 0.000000000 | 0.005251905 | 0.004830562 | 0.000000000 | 0.008208196 | 0.000000000 | 0.000000000 | 0.007950819 | 0.000000000 | 0.007346446 | 0.000000000 | 0.000000000 |
| C16H15NO2S | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.027087835 | 0.012786998 | 0.005819599 | 0.019971781 | 0.010023592 | 0.000000000 | 0.000000000 | 0.000000000 |
| C16H15NO4 | 0.000000000 | 0.008461689 | 0.007780495 | 0.000000000 | 0.009336878 | 0.007496951 | 0.006248818 | 0.006132069 | 0.000000000 | 0.008067111 | 0.000000000 | 0.000000000 |
| C13H19NO6 | 0.007628810 | 0.006316942 | 0.005622772 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.000000000 | 0.007521604 | 0.000000000 | 0.000000000 |
Only the first 2000 rows were shown. To view the complete dataset, download it as tab-delimited text. You can still view the full matrix in your browser, but be aware that this may crash the browser due to the huge size.
