Reversed Phase Metabolite_name RefMet_name 3ND_1_18 3ND_2_18 3ND_3_18 3ND_1c_18 3ND_2c_18 3ND_3c_18 3NL_1_18 3NL_2_18 3NL_3_18 3NL_1c_18 3NL_2c_18 3NL_3c_18 3NR_1_18 3NR_2_18 3NR_3_18 3NR_1c_18 3NR_2c_18 3NR_3c_18 6ND_1_18 6ND_2_18 6ND_3_18 6ND_1c_18 6ND_2c_18 6ND_3c_18 6NL_1_18 6NL_2_18 6NL_3_18 6NL_1c_18 6NL_2c_18 6NL_3c_18 6NR_1_18 6NR_2_18 6NR_3_18 6NR_1c_18 6NR_2c_18 6NR_3c_18 9ND_1_18 9ND_2_18 9ND_3_18 9ND_1c_18 9ND_2c_18 9ND_3c_18 9NL_1_18 9NL_2_18 9NL_3_18 9NL_1c_18 9NL_2c_18 9NL_3c_18 9NR_1_18 9NR_2_18 9NR_3_18 9NR_1c_18 9NR_2c_18 9NR_3c_18 QC1_18 QC2_18 QC3_18 Factors - Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete | Replicate:1 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete | Replicate:2 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete | Replicate:3 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited | Replicate:1 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited | Replicate:2 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited | Replicate:3 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete | Replicate:1 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete | Replicate:2 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete | Replicate:3 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete | Replicate:1 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete | Replicate:2 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete | Replicate:3 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited | Replicate:1 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited | Replicate:2 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited | Replicate:3 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete | Replicate:1 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete | Replicate:2 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete | Replicate:3 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete | Replicate:1 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete | Replicate:2 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete | Replicate:3 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited | Replicate:1 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited | Replicate:2 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited | Replicate:3 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete | Replicate:1 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete | Replicate:2 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete | Replicate:3 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete with CO2 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete with CO2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete with CO2 | Replicate:3 | Column:C18 Sample source:Lab culture | Day:NA | Treatment:QC1 | Replicate:1 | Column:C18 Sample source:Lab culture | Day:NA | Treatment:QC2 | Replicate:2 | Column:C18 Sample source:Lab culture | Day:NA | Treatment:QC3 | Replicate:3 | Column:C18 10E_12E_14E-Hexadecatrienal 12.569 3653584.75 235.2062 1979385.741 1893440.158 5159205.234 3401220.849 3650798.973 3102941.254 6694178.852 4276925.445 9140594.331 8475010.419 3461026.767 4152570.719 4249867.816 3743402.958 8959900.264 7495371.581 2472957.507 3701717.058 3977738.793 3128754.977 2738605.971 2157024.4 5402187.962 2637111.358 6209395.512 5082155.473 6704926.95 8067222.316 3269902.846 7075418.073 4899029.497 6282924.643 8684560.567 16301438.19 2297237.143 5745079.109 3310358.63 3529914.615 2488854.773 2654919.448 7111154.947 5125278.211 2779814.738 2836347.19 3828250.145 7137354.37 5271354.145 4238276.997 3064450.139 4736448.911 4621599.112 6786754.713 5990835.749 1_1′-(1_2-Ethanediyl)bis(1-nitrosourea) 1.784 251246.7378 205.0687 4649907.153 5704733.381 49609225.9 39321166.96 180999.2779 14486110.82 29052719.41 17897885.22 22658184.47 2325781.06 174011.267 15465642.7 1290394.487 3746231.878 43876304.92 36754451.31 22107628.89 1581602.299 5694298.215 1759140.595 5697188.25 14264534.79 16940373.16 11133563.21 15675502.92 7555864.868 21130955.5 28741548.42 306010.6584 18039729.26 27002078.11 33287622.52 14556653.73 2930913.913 11170317.84 31921897.1 127744.9402 958323.5753 6552984.495 7499977.773 24389296.54 24185704.44 14942009.05 4859567.697 1768571.933 26431818.05 5359404.816 14523800.66 2635775.992 5179325.853 5898018.937 7810387.6 5009089.67 1_1′_1″-Methanediylylidenetriurea 1.702 64433.6643 189.0738 138390.8278 154636.551 1968413.042 1893952.481 67174.9436 1123884.383 1472401.996 767247.1597 563613.188 633824.9381 53872.0024 708321.5175 66075.3676 75689.913 2150377.624 1717213.252 747620.1961 57712.1613 151755.3711 250196.8558 178743.3758 526262.3564 490329.6309 417444.5471 298093.1205 394614.8134 649784.5453 988927.6223 57769.194 416489.6919 1189512.849 1414221.804 450672.5613 583045.669 295993.265 1445453.312 47410.4607 35126.941 80020.0402 147514.9832 930585.3113 675568.5213 319567.4061 344681.795 58323.1823 816461.4543 56236.0919 371027.9313 50108.775 70937.5973 114955.6244 176212.3403 62214.1668 1_1′-[(5_10-Dioxo-5_10-dihydroanthra[2_3-b]thiene-4_11-diyl)bis(imino-2_1-ethanediyl)]diguanidine 12.039 492372.1154 465.1809 287916.5218 1112398.462 5893814.359 7042562.967 851380.6383 2596056.854 1622974.506 630700.0666 289509.1112 421300.7165 345858.7809 494595.2113 610829.4388 523818.5507 5051495.721 4759369.44 986216.512 283091.5734 168285.1592 408727.0594 322755.6731 1001867.407 1013453.702 1135342.974 334914.4738 252236.1957 1846162.703 3091871.257 710204.9229 98216.7164 792131.8497 1585562.204 232931.9735 525055.2988 981057.6958 1300278.274 807569.4668 337991.8678 416725.5053 829756.3349 915884.4501 991901.4028 326823.8215 206798.0701 503911.9874 1169920.681 931859.6526 285330.9154 719767.2015 609943.7008 417386.3623 231978.3618 484713.8348 11-Hydroxyandrosterone 16.232 5242525.691 307.2274 6768319.585 6201539.16 37580803.38 31343105.67 3094091.644 20146286.26 31882802.66 16166170.7 35819871.55 37210507.34 6235406.969 18314006.49 2278724.136 8487430.133 35070679.78 32995554.68 23483133.74 9845879.629 10310275.61 13426648.42 8625200.589 18581637.53 17982261.47 14103203.01 36581291.91 29363488.18 19921442.69 27478060.41 9773485.266 32751753.33 22458119.3 24433041.24 21310079.88 30092137.69 12030398.52 26633651.95 3393583.123 2445193.705 6813437.959 6186756.043 24421615.34 34235906.2 22004000.52 23439385.57 6474520.456 27393940.83 9997032.5 26182088.94 10146323.79 15078657.94 13264476.97 22943543.56 12559419.3 11-oxo-undeca-5_8-dienoic acid 10.101 10347089.81 197.1177 9756813.554 8817446.463 8319265.836 8243186.964 10327774.35 4084434.497 8420458.881 7780107.673 9253019.885 9576286.659 10893363.64 8120199.149 10596185.61 8833662.017 35650162.96 9089588.655 7773814.66 8514402.695 8904969.229 8966203.397 7797882.371 7800368.69 13353013.57 9068992.73 5018494.654 10697640.94 3079738.422 3645967.418 10587132.23 4985106.599 7905244.9 7605684.748 8866638.999 9087856.406 7722225.533 7835567.178 9627468.682 11266966.47 7681322.236 8980093.566 3663933.597 4099136.449 5696609.27 3580392.732 10184984.95 8078174.563 9043932.017 14633182.65 8288053.913 8110896.559 9411596.529 8051826.129 9330726.169 1_2_3-Trihydroxybenzene "1,2,3-Trihydroxybenzene" 1.591 2124619.114 127.0393 3707027.712 4168631.428 16773592.96 17477103.23 2195520.983 17029310.74 13015329.45 7391393.184 14247696.26 16259520.31 1738501.94 6408444.293 2330970.469 3793993.912 15357975.81 12487025.49 12606097.53 3399498.228 7888714.178 11930466.95 4493072.862 12312615.83 11029523.72 15385707.87 15787726.66 15837730.4 11577257.99 16164709.01 1924298.558 16127576.33 10826336.91 11591273.89 10645648.88 16231866.64 3453946.695 13784667.5 1558078.572 1779872.814 2172244.256 2464947.024 6728510.598 9538535.166 5389914.795 4863099.395 2220846.871 7323243.58 3035138.358 5742612.067 2034932.294 3768229.548 2675297.867 5305028.955 3584470.77 1_2_5_6-Tetradeoxy-5-[(3-methoxybenzyl)amino]-2-[(4-methoxybenzyl)amino]-1_6-diphenyl-3-O-phosphono-D-iditol 14.747 192484.6153 621.2727 159569.7098 154581.8033 2602610.263 1611824.776 217178.9075 478610.5934 1479392.108 675049.3198 1389467.891 1179213.714 183251.5614 631861.7903 217492.391 172297.9328 2581636.735 2304139.122 821360.1756 202323.5547 141947.6924 146723.2487 151437.1535 889298.5143 125387.794 255022.741 1738618.902 990405.3421 296577.0853 304587.2897 206140.4701 1550334.355 820627.9309 901814.4046 1374331.088 2297687.227 187030.8288 828420.5952 197207.3046 248033.5237 157364.0691 191883.5405 145139.6124 843720.9461 580220.2445 520806.9945 185219.5342 135214.8658 192840.8784 796499.804 131920.1392 324101.9027 166080.6642 540469.8167 182665.8337 1-(2_6_6-Trimethyl-2-cyclohexen-1-yl)-1_6-heptadien-3-one Allyl-alpha-ionone 12.226 6938028.428 233.1905 6607367.591 2268632.946 11978266.15 11751955.06 8177720.9 5153597.878 13240985.95 7157384.173 27090598.18 31107941.7 843475.364 8168878.706 2076158.594 1926981.1 25553715.72 25609196.73 4097747.523 3742067.454 2878190.321 4646259.257 9315009.586 4129838.836 11573635.68 7334665.894 14470289.52 12885572.95 13512163.88 19060543.84 7904231.418 15902692.97 8771735.264 9028506.224 29243352.75 51299171.23 1671426.853 14924253.58 5885359.609 2975669.033 7009587.903 8545088.061 9606146.876 12229865.29 8471610.721 9302915.477 8437730.675 12715478.36 4812534.561 8888450.596 2336797.232 5120294.897 4101748.95 10251024.39 4516734.67 1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4_5-c]pyridin-4-amine 10.084 113538.7587 343.0826 1388829.533 1837866.126 10880122.9 10308432.36 49713.5691 9785776.8 13378131.23 5497511.692 5444342.075 6143011.567 54954.882 5794402.096 116540.7448 815216.5432 10657573.14 10204384.46 6235229.836 893871.4228 2133586.37 3320419.782 1579418.165 7648309.1 4278738.341 4650264.134 8666094.112 5772964.954 4286453.754 7265330.495 59570.7722 7237979.645 7680985.105 8840851.856 3934723.891 6938573.896 3171239.438 9955044.16 82630.0946 256692.1149 1619182.106 1612152 5848320.705 7732094.677 4736320.603 4377540.732 487247.5378 7082689.505 1255237.456 4779620.918 802834.6154 1543860.032 1247926.848 2301583.952 1132167.818 1_2-Diacylglycerol-LD-PE-pool 1.649 90521.9536 159.0629 1312142.255 1500955.564 2289048.457 2196877.654 161311.7593 2626242.604 4334469.653 4756194.758 6773144.092 5774263.596 37337.3679 3540360.323 614142.7507 2588653.308 3787814.671 3626969.577 1610995.655 2593845.553 1457847.961 1736125.537 1047774.853 1606249.684 3432112.014 2181421.95 530170.8689 644911.4534 3723591.505 4585644.412 66526.9109 549664.9559 2975571.366 2579381.025 2395448.016 2448000.492 2027513.019 2171038.547 53247.1136 379677.3094 1301685.912 1587061.701 7399503.527 3806617.027 3572844.278 3746031.283 1112055.104 7739228.201 3065553.085 4295240.624 1300118.551 2345442.863 2967759.627 2589592.051 3386301.521 1-(3_5-Dihydroxyphenyl)-2-pentadecanone 16.232 2411033.757 335.2588 6785838.406 5931471.993 45773536.94 33643517.68 1741554.725 20101899.69 30618142.54 16012352.97 36265640.82 36542482.07 1707899.994 18135093.72 898646.1842 8500652.646 34247248.05 33133815.17 22915313.89 8294545.997 9604256.355 12712644.16 7086909.993 20076656.24 17618809.98 14810782.93 36554429.15 27418781.6 20462876.64 6893276.333 13242548.87 32114226.77 20802286.22 23535386.32 20659071.98 30020243.42 11866784.85 26755441.05 6754802.444 2137714.003 6210873.932 6320229.045 25759117.73 39972654.91 22812953.64 20288572.32 5219167.025 31689385.47 10885644.11 24030573.61 8941862.866 15045271.25 13391066.37 21098052.38 10643578.97 1_3-Dichloro-1_1-difluoropropane 1.884 19880.1219 146.9582 15100.8245 14203.2798 1247333.042 1096899.337 19599.6198 77223.6106 211515.2092 68924.1363 1230085.334 1331423.191 18692.3493 62162.3766 21885.4183 18071.5495 774345.8117 785998.611 654663.1109 17184.5753 31619.6728 55053.3293 85419.3619 469248.6991 478009.4934 95957.8082 56997.304 39290.0829 519377.4032 891031.4002 18481.6757 49041.9171 29432.1691 70126.996 761473.6594 1394309.945 53353.7126 63235.0082 16819.2759 18629.3674 23733.4322 18078.5702 219225.0207 524258.2435 253707.9489 261070.6249 17749.1709 224801.3504 34335.2413 250095.5912 15459.3787 52134.4278 33538.7855 116058.8838 23053.0047 13-Docosenamide 13-Docosenamide 17.225 9387511.01 338.3426 5338078.382 5433666.971 7083455.187 6356957.726 10245943.04 4140060.161 6168851.758 4921824.325 8405685.841 7881602.833 37152162.5 5044510.184 12887425.59 7222214.401 5630130.581 4003509.463 8794701.879 11676455.16 5099729.263 5632628.892 6830908.978 21491058.84 8625045.035 9058812.622 3817822.149 4374341.754 9233625.285 5189784.656 7568641.826 3452761.989 7096407.907 38070741.59 12705417.24 17812499.49 6574312.488 6836020.116 6535236.624 8876863.348 6869356.015 16905496.66 16154536.24 8666386.555 4770411.244 4311860.603 8006192.515 7590891.392 6375215.297 3353690.888 5640654.363 9501660.296 6939500.888 5987372.581 12686333.9 1-(4-Amino-1_2_5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N′-(2-oxo-2H-indol-3-yl)-1H-1_2_3-triazole-4-carbohydrazide 15.362 24397.6166 457.1507 291935.685 425029.1857 539234.1742 863517.5794 24062.7335 1036623.837 1323591.886 587165.2389 981874.7641 1016110.508 23395.1397 705910.642 26333.1633 246273.3828 1034389.141 1134668.519 1596478.437 300054.8762 496128.0883 921270.4818 475674.0517 1191608.379 725964.7688 976601.2783 1390607.798 993438.1378 629176.8367 818334.525 23380.211 1373959.92 1223494.845 1254592.633 787768.4245 857402.3909 1129452.227 1174168.944 21862.9711 61014.7929 376731.625 438460.8812 887133.6847 1143288.912 1073093.022 923423.7965 187516.7388 1079628.784 432313.1302 902541.4291 332620.7786 529535.83 421040.1956 830788.799 444212.3447 1-(4-amino-1_2_5-oxadiazol-3-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-5-thiophen-2-yl-4-triazolecarboxamide 1.624 66165.2367 411.0996 781397.3256 685726.5055 2082522.86 2405986.568 68980.1844 1848072.72 1627530.583 1374278.244 2104918.86 2279068.442 43655.3752 975240.65 94805.9243 1032306.662 2405590.016 1807431.608 2015066.481 745133.6171 1232694.503 2172039.203 965672.6893 1032516.947 1854390.423 2537223.432 1415901.86 1707967.613 1919365.864 2388575.289 59321.6672 1890272.089 2242569.239 1633288.737 2023789.46 2584107.891 462318.6314 2150333.107 57088.7853 54311.3856 334425.9734 366083.7512 876119.5818 907120.1494 1051932.465 939381.1607 77553.8786 842202.5082 447673.2186 1110258.11 421072.7476 1033665.145 527057.8266 1392164.902 433027.3466 14^-apo-beta-carotenal 14'-apo-beta-Carotenal 14.882 298998.4383 311.2378 434911.8837 655063.9767 2043021.805 1436953.756 289009.6916 2006709.491 2777844.86 1230306.988 2637741.413 2836990.117 311629.5323 6583212.965 413456.7911 284303.5098 3694544.56 3527646.167 792118.3922 308502.5201 227035.7551 305867.6364 573105.2507 795604.2001 1712605.589 203624.796 3982081.556 3228594.514 2342537.002 2658112.094 301160.0116 3774523.063 1475314.399 2402135.69 1714622.425 3337193.818 325423.2089 2103725.911 275284.7488 309086.7882 285613.9905 311161.4707 2199206.906 2289601.014 1850102.145 2376733.633 311160.9569 2001931.629 629744.9206 2362688.772 271596.3828 368390.3342 1671477.513 434245.8101 575664.4609 1-(4-Hydroxyphenyl)-4_8-dimethyl-10-(2_6_6-trimethylcyclohexen-1-yl)deca-3_5_7_9-tetraen-2-one 14.262 232252.8807 391.2643 194705.2073 190045.2789 9711887.778 7063646.136 255346.8421 2793341.215 3456825.364 2838566.828 1472203.318 1661476.754 185286.7665 1113846.045 276991.0997 233878.291 1310050.391 1371936.839 5524522.156 229719.8602 878851.216 1151273.561 585170.2313 5073239.367 630597.9763 2602934.581 2552890.073 2319855.308 1974390.297 972041.9308 243493.1624 2401073.329 2581161.467 1322359.002 2189939.545 1338415.586 2940991.332 1124591.127 232458.9654 323694.5212 1010278.895 1100668.965 1734922.642 5777268.735 670025.4816 248119.5175 279472.4379 1735032.647 218932.6796 2525758.779 400404.5616 1136720.833 232791.0969 256249.8353 182849.7642 1_5-Dithioxo-1_4-pentadien-3-one 0.414 5238438.48 142.9623 2666819.94 2122129.388 2566541.552 2120205.723 3644360.361 1644152.648 1382256.723 2156459.947 2200043.66 3013161.025 3682674.926 1820344.88 43999751.18 3660362.327 2184758.434 2595503.919 2339676.471 3170444.499 1782761.315 2286883.37 2897929.099 1507677.04 2900690.22 2054309.232 1528051.18 2303846.47 2390441.15 2491455.024 4039626.384 1651874.062 2835005.726 3522110.787 2594672.16 2115045.558 1530201.851 1810166.2 3470555.832 3262469.24 2436584.981 2173951.914 2840614.947 2195181.372 1988305.163 1728798.894 4127214.258 3179012.167 2783878.835 1486957.306 2084624.999 2569905.82 2886650.239 2806709.23 3245748.44 1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3_5-dimethylphenyl)-3-[(2S)-1-{[3-(5-isoquinolinyl)propyl]amino}-2-propanyl]-1H-indol-5-yl}-2-methyl-1-propanone 13.665 699038.3064 613.3904 526806.3536 489827.5885 9999659.399 7734979.915 717447.1626 3960447.918 6280563.293 2185083.809 6734026.738 2346260.213 759271.7197 382956.947 714091.6688 799732.6656 2713330.304 4848421.65 6247732.976 519858.1 523808.4846 493456.4074 648519.1962 2223956.622 1774582.052 742240.5504 5835248.179 6143173.544 2820252.935 3871314.95 656375.8519 4296573.306 2878140.983 1908734.391 2133184.83 9348783.163 807827.2754 4318668.347 504144.9505 677555.0346 497866.919 1261318.505 3199290.78 4296066.563 5203887.589 4791165.102 654378.05 2819786.617 635945.6137 4671360.051 466316.7737 848133.0212 542233.2053 1711212.524 540786.1352 1_7-Diphenyl-4-heptanyl (2S)-1-{[(2R)-1-phenyl-3-(phosphonooxy)-2-propanyl]carbamoyl}-2-piperidinecarboxylate 15.285 92692.8833 637.3026 82387.9401 96096.8276 1768680.79 1020739.933 104365.4343 736670.0684 1439707.022 627452.538 815537.1384 720601.95 73183.262 729753.3791 88060.0865 114236.3085 2233058.733 1992596.329 457607.5933 127985.5472 203094.828 211172.2227 117906.4137 769058.3491 359053.7616 187168.8123 902109.0586 530860.9503 206253.9316 940017.4207 124337.2228 547593.4028 801507.8186 948512.4094 557282.5743 909066.9024 360235.4683 1186898.464 68058.6007 243454.7585 84786.4488 103891.8975 743750.8881 759857.7841 153441.6989 427897.5628 170511.8514 739195.5247 97911.1615 470515.527 76112.1452 249307.5708 111034.7232 274345.34 74816.1544 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one 12.224 14133096.33 325.2381 4887232.833 5919394.554 40929389.79 38327974.57 4377343.575 18104650.85 41985914.25 22915416.39 76981411.79 103620589.6 4090164.753 25711281.72 18985004.27 7504963.101 81350219.22 69374510.03 14008833.21 11029314.1 7608718.834 11710022.76 4728172.237 13194110.12 36515954.07 21758615.59 43672265.33 39746843.26 36949940.95 58480383.32 6850620.52 47089357.83 22752756.76 26473689.3 92938387.14 143133743.4 6046880.279 39071022.55 11366328.7 7518271.262 5133104.889 3498732.938 34116251.77 32545040.97 24513708.6 25467267.81 4621180.888 28080303.04 14568682.89 25457480.81 6998458.803 13349205.9 13724008.69 25778411.67 15274100.28 1alpha_25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide 13.563 241883.6421 435.2906 255561.8264 761741.556 4481046.843 3156188.831 248253.538 2422195.389 5578904.672 1652863.35 5429224.667 4812440.512 262725.8153 2035791.142 221369.0281 348103.5277 4874877.852 4834042.826 1139413.873 620103.5827 647773.9889 1010889.709 330785.8783 2591235.107 1068215.814 1471358.454 5922154.175 4264174.87 1342812.547 2262612.171 208049.2563 5486974.67 2413632.08 2958607.59 3487007.731 7392922.427 279527.1759 3666772.725 174445.972 178077.0063 172273.6259 165019.7206 2062075.544 3206979.46 3593510.354 3153177.828 206067.2995 2274020.687 1977659.591 3925296.368 1050622.982 1879930.468 968309.6359 2348785.947 1264504.503 1-(Cyclohexylmethyl)-3-(4-hydroxy-3_5-dimethylphenyl)-5-(3-nitrophenyl)-4_6-dioxooctahydropyrrolo[3_4-c]pyrrole-1-carboxylic acid 10.703 67100.3243 522.2246 52301.0778 57115.5831 632179.1352 638011.5064 64779.8478 52337.3228 39597.6688 42572.7833 38387.1819 42448.9938 83184.7804 43444.3484 91930.5434 69775.1227 53064.9619 43156.5105 1109944.242 68597.031 53002.2845 58309.7955 104073.2667 1057488.33 51188.3322 55686.8169 42579.5588 46095.7538 60032.3299 53403.4244 60457.923 37463.361 45841.4661 43581.1754 53812.4296 37323.8818 5931745.132 40283.2806 53387.6837 61160.1163 3399048.693 2924580.955 39400.8985 50775.1383 49074.3964 49683.591 61480.2855 61198.7828 57919.7919 41281.6811 53157.3571 56840.4274 72368.0222 46663.9216 72010.7126 1-(Diethoxyphosphoryl)ethyl (4-methylphenoxy)acetate 11.942 512982.534 331.1308 747504.1503 828276.6655 4366880.698 3557054.451 464033.6437 2776839.629 5030698.982 2043080.845 7153880.043 8865678.529 640124.786 1597205.633 535217.3033 1438924.569 3966722.171 3390815.959 2223146.691 628937.7433 921311.9773 741422.8741 685924.3385 1976007.188 1933555.96 590576.4948 2004170.551 845651.5073 2366197.51 4237439.506 367805.8613 1291750.648 893212.5615 1293585.583 1060155.733 2662086.001 801395.5773 1734184.52 448776.283 544504.3996 1008482.209 2685603.517 2818892.079 2623801.002 1397569.45 1398603.285 811526.9853 3569811.597 422549.6808 1739555.861 1126666.326 499907.8627 471890.3134 562681.6741 297400.7094 1-Hydroxy-3_6_9_12_15-pentaoxaoctadecan-18-oic acid 13.504 12415854.06 328.1966 13133717.21 9965420.4 7106053.819 7821824.203 14982222.36 9204180.337 8299290.769 9781194.242 9738642.56 9989529.429 12371314.25 8752617.658 19576298.68 14386605.39 6892080.993 6113158.633 8274242.921 11901572.63 10547904.61 10139776.55 9993115.96 7291546.517 7129187.37 9935756.874 6398524.411 7376874.207 8781764.733 7693725.613 12872377.24 7513403.089 9896939.734 8147293.015 7474223.928 7398197.655 216369651.3 8631185.425 13809046.94 11084307.6 10567597.59 9669904.673 8027575.082 8165502.172 7972823.767 8137524.905 10589879.65 10771859.75 11171910.8 8601088.366 12838259.94 12398576.12 10956837.28 9628174.874 10656377.17 1-Methoxy-dec-2-ene-4_6_8-triyne 13.384 224969.7691 159.0808 192592.3011 171567.5656 3673641.68 2826454.763 219542.4561 895429.0196 2632093.819 942681.4383 2320368.489 2629828.628 198013.7804 833967.2698 239717.4095 266369.5799 3872086.257 1978400.293 1161127.835 209665.1489 171777.6328 496368.83 217559.2194 293742.4683 476639.5026 1213641.668 2722863.386 1731021.22 550735.8037 1174518.356 261192.5753 2915854.067 1051748.574 1302766.641 1477962.902 3068236.431 211894.2682 1498106.818 196508.4781 244649.5202 197390.3359 198269.9352 978734.7505 2782808.578 2557665.256 1702152.141 235023.6712 987146.0731 730082.1925 1347499.325 197196.7283 648637.261 321785.2687 1192053.819 216266.3244 1-Methyl-4-(1-methyl-2-propenyl)-benzene 14.448 4860856.915 175.1484 4275138.554 3636677.764 7948081.987 6007881.854 4503466.84 6679811.458 8195280.272 6487474.464 11018394.71 12479049.54 5158112.194 6626377.682 4507293.249 4469710.333 9800630.657 5592789.807 5841109.707 16173530.44 5208941.527 5216569.167 2849834.576 3567215.241 5494927.884 5812105.906 7752522.68 5686895.411 12438365.55 6179834.108 5178403.3 6701444.477 8092828.214 6693825.513 11938138.28 8824361.572 1329369.023 6854684.19 3806069.592 3850880.57 3262999.116 3691535.214 6419967.126 7262257.912 5766607.644 4397795.03 4064185.627 7716830.48 5405689.409 6827942.009 4286904.538 5726347.931 11393418.36 15724909.23 5306839.832 1-O-beta-D-Glucopyranosyl-2_3-di-O-palmitoylglycerol 14.811 11573721 731.5671 226283239.6 208399247.8 327383306.1 23188672.87 124686967.5 32030296.37 100160224.7 189804427.1 73976057.48 490555.8579 10352964.48 129331594.9 830319.9847 570949.3495 529657940.1 24264257.03 1485695743 3040786.789 44813207.04 310666681.4 418145132 1013432093 137147414.3 54767624.64 57191135.98 97316594.83 351818959.6 249482318.9 991377158.1 335184399.7 21999690.05 23704137.97 456442952.2 12398359.4 187921698.4 122898710.6 120793146.4 188677734.9 1071760789 744993379.2 230071692 3065252.885 189071853 329682748.5 549879447.3 276537696 368813642.9 162152317.4 225256223.1 250448158.5 761848762.5 57138580.79 108511053.4 1-Phenyl-2-hexanone 12.355 13242822.08 209.154 8275271.975 8296082.074 8392246.786 20310765.09 13048047.54 5266731.353 4443809.362 34096404.86 9742850.438 9276240.93 11121506.77 6261134.177 9950895.353 10766838.6 8650468.418 8138743.169 8532145.236 11559419.73 7589447.155 38365789.19 9470106.507 18130635.98 8708668.425 8082269.117 5532027.807 8054894.734 9286172.476 9042819.488 14764694.82 7258323.333 8781560.393 7134365.871 8516958.64 7757749.302 7489557.954 8024800.732 10899856.42 14004885.87 8333586.481 10435996.37 9469790.893 26762883.17 7490654.008 7636118.391 12769859.03 11896979.24 10770356.35 6976352.794 7794190.765 3544643.504 10550400.16 9414836.657 9740316.054 1-Propyl-4-([4-(4-propylcyclohexyl)phenyl]ethynyl)benzene 16.694 167714.3239 345.2586 130342.6082 125175.1061 792773.0246 811137.8041 166669.105 251805.3887 1726772.418 289974.1208 602996.9926 1054473.475 234199.9751 111027.0055 166105.7702 156997.2357 415637.1323 313733.3078 134518.939 154425.0076 101032.6274 512845.1436 299164.4709 186559.9992 355478.8428 382135.6077 643185.3116 736296.2903 101144.299 88429.7153 203165.2898 646237.0564 698727.8687 887772.4705 221475.6224 919651.6625 185216.419 739054.3856 667258.8483 244331.1496 137362.7278 141138.9171 506555.5998 790318.5412 168575.0189 291953.5613 179843.8344 207236.6 138477.3733 119958.5859 121338.1029 460407.017 124160.98 141720.8679 136096.0848 (1R_2S_3R_4S_4aR_11bR)-1_3_4_4a_5_11b-Hexahydro-1_2_3_7-tetrahydroxy-4-(phosphonooxy)[1_3]dioxolo[4_5-j]phenanthridin-6(2H)-one 1.608 23865.4127 404.0377 448830.4094 678008.72 1031203.491 1090511.482 23370.7767 1204196.992 3996054.405 4014504.661 1435132.158 1495793.857 23486.3201 3120573.182 26407.7149 716207.6557 3511956.702 3009439.138 673935.4821 1367715.278 1197090.37 1403307.571 639132.1823 610766.8973 805474.7706 1711669.574 2387814.021 2958847.054 916007.4631 982384.1659 22101.942 2043352.278 2224428.307 2631601.852 2317249.191 1826054.981 117688.5446 2797670.313 20545.2934 22518.3431 94712.3058 66965.6084 697606.9557 641979.2023 326075.108 131463.0121 21424.3823 744289.6649 258867.2952 273025.4907 281030.448 926216.8953 313476.3441 1486540.436 243291.0653 (1r_3r)-1-Aminocyclopentane-1_3-dicarboxylic acid 9.261 60393.3405 196.0585 46220.1888 41988.9714 43637.0863 33549.6404 60554.4626 58128.7155 1131190.745 320504.7113 354150.528 309996.8743 52877.7973 520838.0702 61838.6479 94725.4257 838191.1025 744601.3904 34762.4364 79459.0563 43486.6283 72775.4458 49286.3496 47892.7306 37061.2488 143633.6457 1225567.44 724099.9064 52879.2589 51651.4171 50636.2365 997433.473 365814.0812 408637.6375 1005128.963 1927238.052 37732.255 537276.363 50392.0952 50090.5323 45260.4818 52277.4071 36998.2875 66562.4214 418175.8994 452876.9697 58606.9261 46277.788 53698.9276 444732.1598 291717.5025 704820.2014 42677.9754 1038118.323 61506.073 1-Stearoylglycerol MG 18:0/0:0/0:0 15.357 13219149.01 341.3057 47925208.8 61769869.38 255745539.5 225813442.6 12539251.48 192535323.5 174001456.5 102197609.6 199566256.1 205433855.9 12413312.82 116206344.9 7607922.167 41959272.31 194159444.5 177833162.7 205473188.2 48085093.59 94465041.65 111537144.9 70817236.67 209233947.8 138446807.5 113400517.2 191507068.9 158544215.2 152359228.4 184770417.3 15941710.05 167416257.1 139039350.4 149348919.2 159799743.5 189706292 96596243.59 139323733.3 8616208.809 16961735.66 57257181.09 60140042.96 184971989.7 233460858.5 101024815.5 134479575.6 36200123.71 198227873.8 89190877.32 127401519 46176028.06 89508086.29 98234029.99 121214681.8 81768968.63 1-(trifluoromethyl)-BLAHcycloprop-2-ene 0.423 15192114.93 110.0091 8701056.89 7885061.452 7395675.908 6829218.515 9164410.678 5561638.331 5422599.09 21020361.48 7739479.855 9295916.087 10273226.84 5547767.551 16145239.47 11806135.16 6778842.817 6476298.897 19031908.09 9263105.29 6887820.05 8256605.058 9109415.917 7092386.033 7721009.202 8190214.103 5601848.291 7468320.852 8492283.962 7934409.152 9808245.718 6358754.138 8409450.415 6792210.166 7479573.141 7166866.431 7043196.049 6533244.56 10141087.3 10912666.24 7340307.672 10366636.22 8027126.168 6820678.695 6555921.528 6642594.894 11709339.57 9898671.57 8267442.607 5952437.623 7782568.532 8532519.408 10016499.07 9395705.045 8898540.777 (20R)-12β-hydroxy-20_25-epoxydammaran-3β-yl (2E)-3-(3_4_5-trimethoxyphenyl)prop-2-enoate 16.342 31438066.73 681.4745 12622563.28 2575319.67 211053.741 21153311.76 5103745.38 2409173.693 5853165.956 33009339.39 234890.7275 19668828.95 13771824.64 9737435.696 339466.024 381776.7368 276580.5289 14931012.93 22350385.49 2041444.554 25848350.53 6832723.245 17225365.62 2715561.375 19396421.38 5064658.426 7988146.136 20915857.74 12729745.97 10753604.72 22512729.43 14067635.7 1638756.714 14168702.08 351308.9717 9564959.427 21427151.12 20691960.89 5995409.815 734618.154 5364132.643 1792095.756 16453834.5 662121.7676 9709340.241 10555534.52 24181404 1083520.48 32171755.38 10505224.15 23977714.07 2311222.35 5113286.175 4410487.706 4017459.806 2-[2-(4-Acetamidophenyl)-4-amino-7-oxo-6_7-dihydro-2H-pyrazolo[3_4-d]pyridazin-3-yl]-N-cyclohexyl-3-methyl-1-benzofuran-6-carboxamide 9.794 90271.5295 540.2357 59108.0421 49646.7671 5732239.737 6219644.283 89222.3605 138121.6012 34166.4869 42154.5285 36164.5642 63063.6234 74020.9029 46153.7932 76899.5813 68964.5552 35143.1144 53516.0122 2792135.894 89094.1952 77573.2642 94001.3746 1248566.61 4860696.92 49872.4166 154780.4539 38762.6897 48139.4865 58488.8595 44552.1131 71462.2423 42462.6824 60245.3486 44613.0571 69243.2567 42310.9254 85088.7217 46101.6673 60146.7939 73062.7226 121034.3661 60558.3338 42231.495 42703.4504 47129.8734 44547.4347 79947.8773 64406.0463 47129.0504 42092.8968 51450.1214 50978.9759 55605.7335 41706.1348 48686.3659 2-[(2-Methoxyethyl)amino]-N_N-bis(3-methylbutyl)-1-[3-(1-piperidinyl)propyl]-1H-benzimidazole-6-carboxamide 13.908 1636626.738 500.396 1188169.084 742117.6149 2143158.705 2794176.535 1523452.459 910218.4318 1190023.547 782359.3547 2114539.048 2716268.296 2480205.953 780921.3297 385084.8379 282404.0995 1576293.061 2030531.986 1819578.896 239620.8073 804596.6816 761633.615 711525.5111 748795.7344 1017666.841 697597.5285 1570990.472 1709457.844 1208416.621 1624278.969 1439895.71 1559982.925 661188.3438 1122549.736 2289536.499 4130184.971 1477221.965 773276.6525 1950784.966 570646.032 2358252.382 537283.0987 1117514.674 827376.8923 2035976.646 1771532.483 383871.6916 1097028.269 1162221.915 1540168.451 715259.5377 977794.8166 656096.1629 1295332.274 2912618.929 2-(3-Hydroxy-4_4_10_13_14-pentamethyl-2_3_4_5_6_7_10_11_12_13_14_15_16_17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propyl methanesulfonate 13.358 251131.1472 453.3013 214988.5547 191518.886 3580177.789 2305941.511 245072.7005 795331.7599 3494142.162 1488361.371 3011383.144 1511951.936 221040.4893 1957166.684 251321.6082 256671.5091 3113541.505 2666259.604 1011353.973 252222.6614 191753.3816 347934.1096 242858.8364 263480.938 752154.2834 410007.9577 4392404.58 2912327.641 921222.2507 1420585.475 291566.2462 3602295.544 1804477.802 1136101.646 1220133.077 3835938.229 236535.117 1589223.255 219360.1377 273099.4253 220344.5454 245266.0369 843072.292 2719518.5 1486031.891 2405205.051 262354.2016 1383690.937 201995.4874 1266617.369 262313.1508 566850.6736 673315.1551 1566076.906 288413.3764 2-[(4-Amino-5-methyl-4H-1_2_4-triazol-3-yl)sulfanyl]acetamide 9.766 20680.2487 186.046 15795.0333 15629.7232 28818.5402 17234.2124 21052.3163 72401.4669 510620.2913 222787.5822 170472.2743 147709.6612 20680.7697 240363.7582 23543.6736 57627.9003 476635.3596 457232.2621 16489.623 61104.5528 45716.8209 60593.48 15674.5603 13651.1299 28577.9143 95893.2367 545133.0293 346828.5253 34243.088 45197.9896 19750.1901 419003.6094 217854.0661 269565.9557 407330.0512 690331.8121 14179.7975 258965.7512 18116.5065 21314.4077 16285.2062 19122.2985 24759.073 90864.5433 224928.2242 237444.0655 20094.4552 27684.2593 30572.3106 229944.6661 199735.8902 404215.7369 36996.0204 579425.2903 38080.9535 2-(4-Bromophenoxy)-N-[2-(4-chlorophenyl)ethyl]-2-methylpropanamide 1.594 216324.62 396.0361 1763984.29 1845322.23 4709187.113 5053158.15 63325.2499 6189488.901 4374954.442 2927225.142 4412497.792 5002363.898 37970.2721 2895875.387 248583.6633 2473592.135 4059280.151 3198238.131 3195446.588 2048846.307 4029555.169 6409469.525 1471328.904 4099097.608 3557184.048 6963092.818 3602632.326 5089412.066 3506497.659 4476482.131 120933.1259 5164286.052 5364022.828 4972087.413 3633445.917 4797110.68 1602352.938 5732612.359 49654.2911 300263.7737 941161.7354 922981.5698 2234186.875 3556424.342 2016479.506 2213196.873 275664.1147 2680749.765 1013797.044 2623959.024 1014802.021 2059804.727 1290362.76 3058691.39 1119392.232 2_4-Diethylthioxanthone 13.908 30477034.61 269.1 31349163.55 27349991.08 78346102.53 54446393.02 30555102.86 56318003.58 63897937.27 41617025.03 65430518.83 62544838.08 39613477.95 39809533.23 21705644.88 16230978.97 40900335.86 45516988.39 63776269.42 19153343.54 41394088.25 41664595.82 26676816.14 52975887.33 39953736.69 45777550.18 74468861.69 69177363.53 55328117.15 59540141.72 26043200.12 69863443.59 40138215.64 45392075.68 39260705.1 60752824.5 31890187.15 39263335.87 25860069.45 21442108.96 24272178.85 31365987.04 58607078.54 68712118.6 55719442.69 46385562.18 33319325.75 59909764.32 35228386.07 49666126.06 33581156.07 36228342.65 30810628.63 39918046.09 41058100.8 2_4-Dimethylbenzaldehyde "2,4-Dimethylbenzaldehyde" 11.444 5228002.103 135.0808 7899699.92 7437420.822 22659619.86 20833723.2 5724049.899 14883625.92 22078986.46 11030176.79 12305118.66 13761884.74 5335688.728 10928393.44 4311384.382 4826739.189 23360894.14 21323739.15 13781663.42 4239239.04 7967904.393 9699532.44 10827469.48 13905322.81 10969578.21 9892033.869 14176555.35 10012240.55 11774382.3 15738358.47 5495931.86 12018241.14 11799435.88 16885364.63 10046484.91 14958026.76 6519049.886 14766958.11 4699872.558 5411525.548 6988452.435 12074140.92 13269981.73 15720816.99 9448373.311 9432951.075 6015450.007 13967730.56 9071622.034 10781709 20258397.78 7325514.016 9056255.451 5992559.867 5884317 2-(4-Methylphenyl)-2-oxoethyl acenaphtho[1_2-b]quinoxaline-9-carboxylate 14.344 25607.4346 429.1235 20037.2757 18845.191 186849.4533 226920.8301 25873.0994 163587.3774 190306.9498 41471.805 134858.0976 153327.6293 25277.3361 56257.1091 27913.2111 23600.3818 171329.9394 141246.5514 246650.6432 22172.0523 28987.498 67247.7992 19252.0133 206060.6334 63961.4795 109851.4354 161549.0196 124450.6835 86181.9483 170241.6864 24897.7905 174455.483 66286.4999 115132.1773 104113.364 176114.0306 72504.6511 145708.9729 22168.7941 25706.9403 19716.2737 21700.7756 156849.6188 170557.5246 63568.1171 76209.4025 24324.2242 148702.0776 19878.9688 102066.5701 19521.2689 27136.6878 23138.901 72509.1382 23209.2016 2-{[5-(3_4-Dimethyl-2-hexen-1-ylidene)tricyclo[4.4.4.0~1_6~]tetradeca-7_9_12-trien-2-ylidene]methyl}-2-butenal 14.079 294906.6643 375.2694 423681.4387 1522628.168 4756260.684 2953391.142 247871.2291 2231197.989 4032534.416 1863793.06 3557739.845 3228929.491 357142.8621 3419373.708 276416.1713 268805.8873 5872715.775 2581758.081 2093413.43 205035.9256 767418.2521 1110585.205 358791.0411 1444830.419 1211027.675 2233695.98 4027821.028 2642841.763 3376065.713 2129309.532 239515.9275 3613630.174 1534575.793 2131915.705 1948324.044 4108390.239 659576.3159 1994908.82 213610.0252 199118.877 250919.7522 224703.7433 1604834.54 7056623.483 2334006.641 2316790.219 272892.0713 1629133.89 642344.7588 2080049.66 1383294.088 1221548.268 665921.515 2303692.469 548591.6356 2-{5-[(4_6-Dioxo-1_3-diphenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxybenzyl}-1H-isoindole-1_3(2H)-dione 9.418 76820.1199 572.1284 16670.9319 15928.7472 252027.7133 263538.7113 22351.1575 138165.3492 11431.153 68831.5787 14296.5846 14676.1871 20999.4676 80776.3255 24286.4977 19503.3828 13646.1685 143489.9157 218186.4876 19133.6587 61481.3256 107138.9286 26902.6407 187328.0592 92069.3234 157732.3903 177309.1517 123909.111 88491.5621 13451.5938 20421.9842 11507.6984 26233.5389 31649.0513 66810.0004 138105.6832 14507.489 40784.3478 19045.1022 21109.9843 16634.5109 18843.9121 31021.1992 30139.6347 13681.8907 13249.6844 20343.7474 58446.4338 16501.9863 12436.6161 16779.6895 16651.0104 17774.7664 15538.9985 17639.6446 2_5-Anhydro-1-deoxy-1-[(1-hydroxy-2-butanyl)amino]-D-mannitol 5.508 42514.2701 258.1322 4679213.076 4884359.676 37756971.8 31639306.39 826377.0549 31140607.42 37644716.42 14474022.13 33908584.32 35578202.88 34032.2425 17086416.43 913219.4646 6675704.872 37359847.43 33614416.08 35960342.39 7345608.263 15513933.76 15226797.22 7506113.794 32421445.2 20789656.58 29719207.38 48248034.68 31420342.95 25473973.41 45119499.98 1018927.139 47710836.13 22250464.19 23708349.7 25549622.83 49726298.21 20363924.4 28876803.65 575818.9162 1077527.286 9600462.148 9317001.379 27465024.11 23845853.19 17464597.11 17354216.7 2800357.107 39299252.01 10621124.5 19000626.88 5536969.038 11771896.42 9230722.093 17881060.6 9029291.2 2_6_7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide 2.649 158334.8895 203.0083 105024.0707 75492.0934 363238.8806 300818.1552 110416.7997 448346.9353 670335.818 211418.5995 1599721.128 1419359.543 105610.2463 261315.6009 120767.8146 109961.0891 296134.9703 448712.5335 378993.9639 128611.3764 81348.2833 110197.4565 94007.4756 228344.9095 278924.8645 212557.9443 318527.3526 154356.0541 347179.5277 525909.094 118602.1186 259090.974 249165.1383 294650.142 231653.6756 393848.2959 107505.5831 242872.6883 67348.5783 129536.4346 109940.8475 155792.0399 603726.3399 578732.1331 142139.356 261454.8915 124168.51 154097.6275 105123.2514 277339.651 97439.5525 90905.1651 99271.4351 155899.8029 124512.171 2_6-Diazido-7H-purine 1.552 208539.3576 205.0686 4633413.156 5704733.381 38200496.83 2390500.283 138002.4912 18461350.18 3219243.604 14369428.17 1415239.438 2325781.06 88494.3601 11476290.74 932134.2967 3734998.336 3439875.953 2587609.037 2246227.161 1603957.318 5694298.215 1759140.595 5722405.239 1348109.22 14235344.9 10711161.13 1497047.853 1109895.648 1886847.636 23143747.58 236301.519 13780391.8 23539208.25 25875999.46 12997049.65 2930913.913 11170317.84 25440673.75 76318.5971 958323.5753 5770339.843 6354378.301 19469258.75 19492528.56 11882987.91 10028147.35 1768571.933 19890360.45 5439794.184 11314288.23 2651405.012 5196554.596 5930301.517 8155138.871 5009089.67 2-amino-N-(1-hydroxybutan-2-yl)-3_5-dinitrobenzamide 10.104 32127.432 297.085 1111465.885 1387596.079 8767617.294 8273931.567 54741.1335 7811236.608 10627829.61 4151125.713 4311117.813 4932360.056 45458.4953 4477596.488 82495.4143 543564.6455 8518564.714 8091576.57 5011870.375 625698.6661 1546334.131 2466714.749 1225151.733 6181751.416 3503607.357 3501167.457 6973781.979 4456303.578 3636741.233 6148953.171 68241.3389 5565159.258 5953934.75 6888426.998 3135406.618 5722717.824 2604864.262 7663729.423 61858.778 184103.8858 1253945.785 1213634.285 4822642.211 6350083.954 3620527.395 3223983.56 336632.6199 5624173.43 957202.7994 3573827.471 542666.7413 1091188.437 960632.1676 1577082.797 831471.1892 2-Carboxy-4-dodecanolide 10.979 427846.7006 243.1595 437497.4114 2331616.624 905035.7421 353109.7689 442438.6433 429872.309 1002992.214 400092.2133 361236.8864 357013.6167 444273.6473 380973.5253 4539239.728 549070.7106 387234.2724 1412757.519 305285.0693 513494.3776 395079.4292 651846.6617 319555.4523 238703.7979 142676.7948 467742.9422 654197.4486 309406.2068 402284.4507 532425.3766 508441.929 378015.6333 579175.8844 498544.8452 593773.7021 342750.6855 349828.1404 385444.6041 431972.1047 473520.1456 394398.8305 363010.0716 333305.3045 462635.4868 302934.6897 339018.5521 319199.7446 3201083.005 397250.9243 491989.6236 435637.8649 391619.3823 449421.3867 340369.6549 367493.5174 (2E)-1-[(3S_8S_9S_10R_13S_14S_17S)-3-Hydroxy-10_13-dimethyl-2_3_4_7_8_9_10_11_12_13_14_15_16_17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-phenyl-2-propen-1-one 15.121 165215.858 405.2797 136321.5435 107493.173 3396695.835 2267451.865 138088.6178 806474.2167 1010830.603 385044.5661 353552.2941 646770.5212 148679.5327 389418.9696 226679.1419 212184.6451 364972.7969 299353.1779 2209120.603 151764.9948 181803.6141 497901.0499 300729.5851 2168764.254 109211.0259 494653.4893 768338.1893 596947.4317 321759.2186 265387.6267 197176.8644 813087.0767 142364.979 192489.4297 106928.4399 276335.0231 942455.7714 415550.4197 160459.2638 203503.5053 199567.2477 306550.5718 603231.841 1831781.113 571754.4667 112075.2217 169380.7881 596581.4338 115625.9611 99856.1113 118099.0529 136996.2134 146641.3314 132109.6698 110916.8532 (2E_6E_10E_14E_18E_22E_26E_30E)-3_7_11_15_19_23_27_31_35-Nonamethyl-2_6_10_14_18_22_26_30_34-hexatriacontanonaen-1-yl nicotinate 14.374 69396118.23 736.6009 16164437.02 32386181.87 747235.7262 44027507.96 816233.8725 27740096.52 492406.0862 14380152.4 4163274.725 5951465.242 974742.2071 19592102.19 1052908.065 747608.1613 1484008.892 98183893.82 790200.1907 797897.9197 645572.6669 5795466.072 167438687.8 113701020.7 615502.9679 14320011.12 47028326.89 605168.3477 78255450 62822522.7 905230.6648 10317829.55 639276.8508 4396022.313 80779888.75 64647065.88 164641480 3472453.564 9036645.175 21300344.49 761598.3507 150617497.9 8965269.409 30659560.49 91666507.32 33312831.9 41788653.77 46389373.51 699833.4791 55770933.68 30060840.93 27705215.85 41716698.36 21914632.35 53924138.1 2H-Benzimidazole-2-thione_ 1_3-dihydro-4-methyl- 10.128 82011.4716 163.0338 178196.7891 181743.9972 659454.0359 613963.5701 66131.8847 591268.0847 798348.1038 338845.1844 342101.7779 395800.1334 33160.7414 402179.1361 187492.1623 138954.2833 672952.9161 658705.9824 402884.0747 164884.737 225528.7037 242014.0568 160300.1229 465414.4063 314733.8983 323798.8015 561704.9726 358741.9558 356688.5172 503256.394 53082.4626 460286.7796 500702.2203 556092.3449 285568.9741 421613.8856 221943.7424 627497.5938 77154.066 71114.5776 269174.0893 214058.349 391022.4621 545511.0424 292873.8473 289435.3977 91795.6905 410543.2748 141691.6258 340347.3312 24205.1959 196554.9391 167848.9616 166695.849 97281.3561 2H-Pyran-2-one 1.592 1108013.669 97.0287 1320502.044 1404715.255 5804269.321 6019230.827 1145314.415 6203900.685 4228834.319 2512569.583 5118722.176 5399597.015 1039839.359 2339470.387 844585.1643 1292072.449 5132452.431 4001534.641 4308545.735 1186241.42 2426432.124 3747574.145 1399592.296 4063508.738 3522792.173 5050059.635 5374357.356 4951582.429 4184581.034 5274779.678 1065474.46 4880761.504 3459980.451 3457932.333 3490488.914 5466826.295 1344848.311 4488485.02 758886.6174 864783.5203 1044147.167 1142453.214 2268323.805 3130706.119 1980328.759 1596518.855 1136886.519 2477722.961 1166484.566 2099099.99 878586.1671 1135749.241 1470501.909 1674664.398 1468351.688 2-Keto-6-acetamidocaproate 2-Keto-6-acetamidocaproic acid 9.759 425715.3475 188.0922 320517.8928 427651.5014 378481.9348 377750.6499 415654.9252 342228.8199 2791877.526 1199529.282 877385.7603 940895.8043 398843.0527 1313070.557 543672.5635 640448.4097 1979593.604 1557552.262 395810.1878 1524515.11 683609.403 580335.9883 414375.2103 400184.8938 379031.2837 875642.6495 2668019.184 1808264.858 424836.8472 1989179.881 374683.9259 2077941.544 1005430.69 1429446.204 1706232.465 2987257.113 122998.7596 1744763.115 394930.1278 554597.6433 416399.7735 449592.1093 406852.2551 717441.3406 1111125.689 1231004.296 464953.198 486324.5237 474456.8559 1504647.538 1085489.287 1999338.41 477809.6943 2709141.295 434214.5015 2-Keto-beta-carotene 16.721 1461202.143 551.4263 3796138.117 2921799.595 43239057.55 36717249 1357875.364 15056182.88 72119408.87 14699252.45 35061963.46 46018861.05 366666.3628 13492978.56 260057.2377 4037933.289 23431304.88 13894312.44 16729998.95 13450019.69 9955385.55 19279798.81 3129450.374 15904607.92 14541317.88 22160481.55 35207874.53 34656948.97 9550496.604 10965988.79 1144766.604 29904320.86 34276316.94 38124439.28 19232080.39 45336952.86 1371498.602 37084117.61 1044668.663 1466774.015 1425763.836 833592.4665 28787384.5 39610130.35 17037817.57 21107329.47 2275917.311 17509877.51 10277229.55 12190749.12 4567046.388 24554960.59 5405285.886 19264132.99 12656763 2-Methoxy-5-[6-methoxy-1-methyl-3-(3_4_5-trimethoxybenzoyl)-1H-indol-2-yl]phenyl dihydrogen phosphate 9.795 21229.3406 556.1367 16045.9491 15878.0128 1818746.439 1770823.155 21995.3634 29546.6463 11336.9167 13368.2385 14122.1483 14780.6741 21009.299 13733.4409 23917.6822 20472.5557 12878.6946 12982.4371 1191081.615 18463.2875 15752.1281 16669.3925 316915.0442 1301122.692 13091.1331 39973.9343 11164.6369 11462.4615 14451.7433 13297.0716 20188.4218 11564.0445 14874.7277 13833.4714 13733.89 12102.9997 36726.1867 12574.5275 18793.2919 21653.0028 16543.9087 19426.0703 13645.8141 13746.7053 13563.764 12928.4733 20413.6704 15930.5197 16260.9809 13373.1616 15849.0794 16324.021 17709.8149 14871.538 17355.9906 2-Oxopropyl 2-oxopropanoate 1.594 1098240.622 145.0499 2088795.588 1804263.003 6904878.723 7057296.326 1111176.508 7389523.059 5402412.263 4035844.078 6133437.556 7096712.5 1219838.717 3239799.514 730206.2421 1794435.616 6494915.284 5553348.126 5230215.243 1492561.283 3925618.092 5452620.907 1923201.275 4918305.169 5062540.095 6626741.071 6440469.796 7437952.944 5000372.506 6205676.872 1918493.853 7560276.75 4794241.034 5383454.973 4616292.556 7194196.62 1828113.034 6296740.34 870703.7633 1004420.774 1274011.171 1067809.633 2797152.391 4038135.705 3240650.951 2497056.283 1165267.645 3157254.437 2211851.173 2908917.479 1265667.947 1689769.717 1495402.521 2796175.7 1442273.316 2-oxo-tricosanoic acid 16.92 219880.562 369.3376 166243.6478 246408.4499 2675691.549 2077726.536 218496.9317 1045747.558 1367304.963 395308.6427 1628846.262 1637618.391 350522.7825 631432.1686 284896.0614 206727.7203 1589812.87 1086670.802 1771322.088 380690.092 478779.1976 730228.1484 216177.5691 1615056.876 1085343.793 661424.3335 2009601.714 1060738.079 1019017.075 1219037.192 202925.3649 1352059.67 879139.9609 921505.771 1361392.286 1813538.925 552011.0753 1037651.567 206635.2277 246867.2968 169055.713 261025.0178 2039729.91 2809235.91 850834.975 726975.6921 206689.108 2080847.558 456173.015 230646.6514 161001.3004 382277.3543 393510.8828 477967.6502 512066.1988 2-Phenylacetamide 2-Phenylacetamide 8.705 38211610.47 136.0761 75132335.54 28895425.47 22287357.17 32223351.48 39375994.09 23173697.44 9889209.952 22648443.65 24670896.61 24402419.33 39178461.22 24133762.16 39131426.91 65108901.76 8545926.342 23912379.05 22128174.55 56590933.68 26103721.73 14677290.35 32205915.65 13431694.88 22113525.91 27269427.61 47353577.94 49106164.02 25355904.64 24625275.63 19168932.5 10133858.99 4841409.121 20138714.8 6518282.303 22630996.85 29926209.2 21445062.84 7685938.976 13482811.57 31280941.66 16080607.17 25607019.47 6449985.57 12566070.98 7741966.133 36187988.79 8946000.855 9905417.005 26878655.82 75900043.25 18011284.23 32551058.08 27321200.23 13172007.97 (2R_3R_4R_5R)-N-Dodecyl-3_4-dihydroxy-2_5-bis(hydroxymethyl)-1-pyrrolidinecarbothioamide 14.898 255520.6958 391.2639 204718.1467 206854.1722 2938614.869 1770080.559 246984.4253 657894.7375 791293.9259 184044.542 417683.1969 324578.1499 257743.2412 194590.943 353335.5141 212410.4961 299930.286 428217.352 1480348.164 263642.7769 204901.5567 211343.5422 489769.2885 1082731.745 196533.8967 271105.612 493014.5102 476005.0237 204938.7183 230130.0834 257367.9519 453861.5511 194841.5415 239854.9111 265448.4817 257128.3271 290323.5032 182893.6341 235255.2439 264142.0858 244082.4974 264075.4314 377785.0368 1416293.799 194439.1173 185515.3813 265914.647 403515.642 255567.6676 181319.0008 232103.2079 198464.2829 250960.2356 176748.4201 248111.8116 (2S)-2-({[(4R)-2-Oxo-1_3-thiazolidin-4-yl]carbonyl}amino)pentyl nitrate 2.241 130469.6029 278.0814 76499.8256 145664.8332 86894.1031 83073.3381 104049.4501 1341163.575 757775.3475 214072.6839 502219.2792 439259.3385 107270.9497 304513.6717 114805.5565 95508.6126 505896.4271 403057.152 635639.3269 91262.919 89317.996 86195.8878 85643.9633 472132.4656 361289.5098 276415.8219 2828270.438 2209236.175 500896.6697 730651.4148 111673.2479 2631416.618 663823.6281 944340.4793 360513.8211 718812.9773 483485.9586 1065390.064 94710.0026 115878.8354 281434.4163 326074.0955 451142.3345 1329984.529 1292534.305 1128742.667 103883.0403 230391.6395 116770.7152 1208157.835 75313.7126 81117.7713 96316.8622 67813.7913 131471.7412 {(2S_3R)-3-[(4-Nitrophenoxy)methyl]-2-oxiranyl}methyl N-[(benzyloxy)carbonyl]-D-valyl-D-valinate 10.043 43167.8335 558.2458 49018.8349 48107.174 4226483.446 5397737.447 62855.0276 46646.3897 46313.4649 47123.3881 61639.297 68719.7358 103223.6385 47756.9369 68805.1922 65585.5447 57973.3209 35143.974 5160799.381 56647.7049 46299.1991 50316.7258 1501629.533 6196712.327 44918.2109 48099.1683 41665.6179 43063.7281 43982.8057 34503.7484 77119.7958 42716.9327 43429.8645 46370.4091 29327.6361 37842.4258 10063502.62 38375.3722 62341.4156 63888.6699 5469766.286 5017956.893 41836.6643 45820.0821 48942.5714 44114.7745 70718.7094 81056.9399 59930.335 40572.8553 48282.21 46766.5887 63756.6039 47006.855 40446.7513 2-(Tetradecyl{[(3aR_5R_5aS_8aS_8bR)-2_2_7_7-tetramethyltetrahydro-3aH-bis[1_3]dioxolo[4_5-b:4′_5′-d]pyran-5-yl]methyl}amino)ethanol 14.152 1636626.738 500.396 4209185.075 2295185.203 51211406.79 44791827.25 1523452.459 13649220.32 20645942.29 9373529.058 24198344.89 26385312.05 2480205.953 9120768.507 973299.6644 1888243.695 18810929.06 19151215.39 17720992.57 2405946.973 6102854.341 6832574.363 4750624.551 13674276.86 12261053.81 8358850.929 18537258.82 15544778.55 12214750.71 17478821.82 3284454.48 18505076.91 7581626.855 9980909.008 17844960.61 36885555.69 964854.7283 9326203.713 1950784.966 570646.032 2358252.382 1653271.716 5953420.043 13967651.99 10199529.53 14151876.3 1901637.585 3307519.02 5626489.466 14901894.26 4611899.244 6956320.281 3098570.577 10250417.7 2912618.929 3_6_9_11_14_17-Hexaoxanonadecane 13.506 11988065.56 281.1959 13382246.08 9586977.662 7062687.545 7719243.653 14573367.7 8033975.181 8083376.15 10205545.22 9296085.887 9482061.003 11371808.56 8383608.921 18781502.11 14374692.38 6932577.601 5968264.202 8110981.918 11180074.31 10550876.7 9638186.907 10000259.47 7036129.554 6845710.602 10952536.99 5968322.312 7063706.382 8616229.861 7458441.393 12015116.78 6960048.812 9546780.831 8347927.931 7561298.992 7033812.209 218333311.7 8005575.661 13596929.05 10813857.46 10237934.48 9684219.376 7814748.398 8370123.388 7603554.557 8102483.561 10747992.69 9799338.863 10713452.91 8305304.428 12444033.29 11823087.48 11101905.71 9461440.462 10312018.68 3-Aminoadipic acid 1.642 10435115.47 162.0765 12735416.58 7849596.838 2573249.764 7442326.746 10233080.6 6507494.873 6516977.374 18100084.37 11422256.55 14234953.28 13243004.56 12418117.3 5760180.323 9416532.827 11735649.54 10264479.64 6669774.624 10866295.42 12474885.94 9959674.341 10329322.58 7135192.783 12628037.07 10806798.52 8309309.513 23745537.38 48513754.27 10359676.88 23526496.69 15821641.21 41527995.55 22259456.59 9614152.327 12332776.25 49848397.75 13596478.83 10037063.48 9598739.476 7559778.617 8739760.733 9033789.577 10735289.21 20994887.5 12361697.06 10100399.76 9157547.212 17431347.91 64483986.21 14237055.15 7831762.268 9085023.065 9233240.416 8344291.457 3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid 14.23 4543275.353 445.3689 5555674.771 3160084.625 4449304.486 3956890.127 3476778.682 1280861.693 3306500.595 7761160.451 1820102.593 2072041.428 4649131.542 8284784.161 592825.3606 504633.0848 4557691.146 1384599.555 15475853.6 509971.0209 3264829.381 3389836.803 14181146.44 4524553.737 7335349.77 3470653.482 3366827.784 4414764.34 7684958.546 3019762.328 8127427.077 6873846.702 1128467.468 2273083.115 4503360.131 1964352.755 6294405.304 3637833.01 4299992.289 4427396.045 3596719.726 2847159.255 3240865.841 565514.867 6889846.244 6104445.525 6296176.376 4326723.66 5607678.85 3506312.996 5252455.696 4292876.623 10404172.48 4055529.936 3563637.189 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate 16.529 6822777.562 445.3688 6011244.921 3876502.425 27676714.33 24655855.55 1197392.49 13810343.98 11321603.37 8247955.983 15836926.88 18512045.14 2838032.365 5879395.662 367937.4954 1176752.585 18519941.73 16983728.37 28559693.19 3176229.045 5903777.917 5078489.63 9829080.759 27157842.48 15886717.78 5365065.455 17686923.5 14530599.99 12874295.91 20638467.24 3101514.606 16415203.28 8531682.199 12861283.11 6889361.698 10932499.98 19048097.22 13952127.62 572968.6258 1037910.802 9007400.093 8021532.584 23247405.68 28423282.1 11145476.64 10304379.16 8624780.627 23396593.85 4790168.88 10865947.09 2336229.447 955681.8831 3116497.171 2097586.798 3413753.686 3-cis-Hydroxy-b_e-Caroten-3^-one 15.892 4823238.617 551.4262 7174602.688 3742827.475 1337265.301 732659.0738 4351768.782 3987222.49 3059272.62 4654640.545 2257456.369 4956882.36 2280093.068 2789155.565 413877.0377 382933.3921 245236.9867 2460421.454 1219063.071 484485.5145 10985297.39 3528738.178 4111251.685 5489229.941 4724286.404 6151309.707 7669616.397 6983754.11 4282982.922 4333031.997 5947332.762 6614723.89 1212415.44 1961610.44 2357036.249 3038373.856 6932123.045 2147804.862 1634736.51 539827.3005 1867274.902 1057523.01 5185546.869 2367031.531 12046530 9937685.18 3062674.292 1594404.559 5392703.078 18746916.83 7781193.675 3376895.024 5037434.614 5080030.269 4199857.132 3-Deoxyfructose 10.086 82208.2362 165.0761 1834275.034 2663477.017 15608941.24 16035088.95 79708.9946 14325827.48 19540416.98 7694499.797 8397084.13 9029077.918 110458.7277 8426173.921 195576.3127 1077538.612 16029429.45 13939395.9 8738715.003 1154396.045 2786689.114 4485705.005 2297150.915 11091505.71 6068878.209 6474519.149 12257779.71 7899193.315 6355079.487 10110207.11 102339.7122 9933225.954 10054338.31 12137381.92 5862811.773 9256721.703 4583627.065 13557434.39 104649.4179 354575.564 2476714.941 2316681.764 8411188.232 10918348.08 6331538.35 6143761.963 553237.7644 10196512.95 1873571.171 6402009.776 1022743.114 2069578.146 1743776.233 3065756.197 1574006.21 3-Fluoro-5-hydroxy-2(5H)-furanone 2.169 968784.227 116.9995 279295.1835 262324.9394 4422445.724 3438895.278 1003418.741 1568191.945 3064295.537 1508601.657 3422906.482 3637778.99 913246.9603 1532503.158 526049.6722 616660.1411 3966606.874 3896208.454 2328860.978 574194.5111 567084.0612 696397.9467 592279.6139 1784159.908 863356.9578 1003150.375 2945489.204 2619073.349 1415584.699 1664438.02 878706.388 3038224.944 1540138.744 2103871.699 2235273.017 4248487.629 770696.488 2421511.103 593763.1863 755552.9571 464774.7207 610378.706 1440551.586 1596567.332 1829418.483 1713968.47 959159.5626 1651790.373 827571.0085 2011409.07 250846.3059 541558.5511 619203.5172 728610.4307 930365.0654 3H-1_2-Dithiole-3-thione 1.475 23434.5015 132.924 36679.0677 26313.5021 136222.0166 96761.1431 22835.7637 190596.5306 294919.1755 103224.9324 188403.0226 211274.893 22636.4829 105829.0232 24382.4412 59840.4955 247254.5519 193845.1362 388820.2956 30534.3646 35383.5088 46882.0312 69392.0204 294137.564 127793.2925 68347.2456 564915.6453 348744.6787 192928.1463 288341.5743 20996.0654 352531.0189 131879.2869 152056.7808 144618.9795 328356.8301 275401.6145 204209.5027 18963.7271 22701.2811 98286.8134 135445.2946 205241.392 163916.5354 285539.5766 257441.8618 20501.6158 226241.597 69232.1922 263676.5044 17307.0791 50205.4523 33305.9647 49530.0235 49553.7396 3-Hydroxy-4-ketotorulene 14.373 1562370.546 565.4058 7127849.981 5808406.277 31647524.47 50185087.41 987200.933 11220162.11 20514445.94 25627832.31 33949933.98 37336503.62 1089041.939 27326972.46 1176373.643 5289983.187 42108702.16 43815349.07 20943748.44 6920579.755 14731855.85 16780844.34 2828905.882 21252361.08 15789599.64 21407216.37 65983177.88 42328068.09 19083638.08 31386088.42 2517055.174 19583069.55 7886166.345 41280326.59 13672683.79 65838016.96 10503467.59 37388556.62 1098945.202 1156043.84 799087.9345 889081.0422 22328162.4 15047277.5 32812724.55 31491916.56 24930668.36 11728470.13 10148461.1 36291363.19 11575760.98 9861146.651 5577953.572 32080158.82 13431751.37 (3^-hydroxybutan-20-yl)5-oxopyrrolidine-2-carboxylate 10.457 1201105.023 202.1079 876846.8095 901682.085 701252.0455 616704.197 1047431.883 1102759.376 1440795.849 916824.409 1955608.456 977873.7652 1002179.157 928432.4413 1276855.331 1404393.38 1447552.243 1388966.49 743243.4144 1276490.271 1037960.163 864712.0574 757301.2183 854982.932 702080.5313 862334.3163 806887.3603 818452.6098 1800635.407 816848.7611 1132040.783 766749.208 6251780.556 1615205.929 1223425.218 1926884.189 930671.9671 1797790.678 950355.6163 1077201.312 881599.8353 1037675.568 765322.3015 767182.3832 1399627.565 1201848.76 1090435.875 960005.3739 738189.7264 1376587.357 962624.5229 908675.8494 964745.3857 925109.7678 900765.8555 3^-Hydroxy-e_e-caroten-3-one 15.259 287016.6152 567.4206 5565830.882 4244539.238 7051442.457 3873203.816 325235.1972 15080179.14 7394546.711 16206097.91 4736704.758 22341069.51 278873.8486 18868748.14 294505.1935 3706709.784 4714185.94 3446121.197 11946674.81 798341.9448 7193776.087 7622142.789 365978.145 15693052.81 11330731.45 11502528.15 6931063.326 33229967.09 7481192.629 3557655.977 302107.9449 4050763.904 9667094.838 2384121.884 3207374.768 17604729.21 312533.7711 23429673.94 165365.1538 591533.3726 327077.6071 243973.3297 1921485.471 25612831.85 2041698.103 3303781.218 513598.7706 1708788.964 1140921.111 2351509.573 7310603.956 2296042.219 1287578.325 20734813.7 6910456.96 (3R_4S_5R)-1-Dodecyl-5-(dodecyloxy)-3_4-piperidinediol 16.317 22301768.77 470.4581 8996936.535 4977080.312 10283902.97 1717716.264 48278643 2816135.913 3999524.438 1879372.257 9956434.89 3107650.954 4360760.983 3022775.646 1878735.568 794121.3733 667790.7565 461671.5999 6362119.348 955380.0808 3856986.293 3026751.173 399494.1948 2229633.846 4157636.663 1416407.306 3682894.579 3374301.567 489870.9522 17911934.45 3797958.221 4443203.519 506285.1112 474396.6571 605268.8432 21395200.99 2125628.58 588024.4369 5880981.275 3335755.485 3363724.67 1388415.935 26056441.88 3237829.126 3927704.857 10952605.08 14850324.38 9751339.685 41049789.96 6175380.599 562512.8238 2895871.912 11564878.4 4293524.574 18418257.5 3R_5S-Sonnerlactone 13.499 203177.8441 267.1232 766436.8489 1242246.558 9090287.205 7096001.008 217474.3278 4631323.234 8358210.045 3123977.377 5172149.615 5280198.698 226254.1312 4363265.302 209514.4978 518134.12 8750478.322 7692888.143 4502504.554 458247.6791 1550991.17 2471604.174 1244718.101 4783608.822 3188735.273 2520789.108 4725027.293 3337836.077 3754571.663 5198296.664 302652.4278 3957023.147 5018633.105 5405481.401 3343840.927 5621726.457 1187452.275 6518084.419 227703.7362 217763.0486 1038568.852 877346.3032 5285615.442 6602895.486 3589228.052 2766544.597 1176471.443 5295950.665 1096825.443 3338720.52 914789.2027 1127592.089 970177.6645 1617757.706 1049923.361 (3S_4S)-3-hydroxy-4-(8-{[3β-hydroxy-28-oxolup-20(29)-en-28-yl]oxy}octanamido)-6-methylheptanoic acid 15.263 196547344 756.5789 109453326.9 8444394.648 1646015.92 326653066.1 31150522.53 8128990.274 33808426.18 119284860.2 334876.7562 240298044.1 281620809.8 39790915.96 568941.9431 439108.1774 1278531.559 214919389.4 371159467.8 11524486.84 89430560.73 12846000.37 388660064.8 40884267.8 259490371.2 13935638.43 29709062.65 104566109.8 86715416.43 71101924.4 372404145.8 55383253.39 8853847.36 38289839.61 2391980.944 104076801.9 218426327.5 46726958.36 58564706.88 935805.5832 157528959.1 63598437.11 129385205.9 2258908.807 18757472.41 69450137.99 154104414.1 3990634.106 263978038.4 64232421.47 69589707.63 14986034.55 32913043.11 29895318.23 29126372.73 3-Thioxo-L-alanine 17.985 2216761.785 120.0117 12844219.39 1368177.696 1277382.778 1016987.865 16361188.07 1497329.362 8830722.9 10432983.35 1279393.614 1830535.863 15183387.74 1481856.257 17828377.57 1655306.733 1376246.413 1179471.761 7887207.337 1769771.346 1455228.998 1449947.12 11317896.04 990782.6688 1315048.976 1437512.189 1233256.117 975351.775 1392963.111 1409017.515 2332954.76 888029.9214 1340820.223 1284958.341 8978613.111 1027210.289 1072890.426 988106.8232 1914653.2 14858918.17 1437659.362 14624103.22 1406623.796 1205706.585 1485244.243 1341444.872 12634218.14 1021226.435 11217472.12 1368807.356 1754675.648 1321712.431 1790831.054 1360613.999 11641066.36 (3Z)-N-Nitro-3-(nitroimino)-2_3_4_5-tetrahydro-4-pyridazinamine 1.487 1403334.112 203.0531 1550219 1901772.945 9602446.325 7719567.127 1215787.603 2955426.433 7517444.024 5687342.43 7097815.703 8031028.469 1129481.882 3623797.458 2336832.433 4271809.06 6033839.837 4350891.261 5278236.318 3094787.54 3654362.22 6984219.667 2866659.869 3539910.945 2847252.985 4829157.102 5647341.672 5423275.445 3525826.178 3233567.632 1199743.266 3984974.517 7074989.339 5729726.44 4554288.316 5723447.164 4750638.598 7031713.229 812865.3764 1103304.019 3178222.787 3778968.959 4477768.086 3588146.515 6919189.064 5272396.989 1504481.915 4797799.447 2285688.128 6226597.198 3795457.168 8042889.749 2078411.595 10451679.59 2164148.118 (3β)-17-Phenylandrosta-5_16-dien-3-ol 14.436 309214.4418 349.2534 272324.7457 436022.8872 2369689.51 1650483.604 302593.8203 2332317.699 3239805.824 1276013.307 3113003.222 3017794.738 321559.1302 1531484.194 352252.5614 292605.6835 3173008.919 3485802.02 5191871.814 312713.3423 450002.8034 423054.7344 273058.6918 2297439.589 1478246.259 1686645.143 4203169.849 3209859.546 1667961.408 2810134.708 298791.1501 4208710.706 1654143.695 2145974.753 2562704.645 4640460.994 2624220.972 4578383.89 344890.2649 327380.482 298486.7612 311878.6139 1286792.122 2670358.611 3015763.519 1734280.005 311199.6817 1432427.516 337410.1364 2788469.717 249744.6695 587185.2191 431400.7947 2586752.517 342690.8196 (3β_5α)-Cholestan-3-yl methanesulfonate 16.317 157022.0048 467.3533 319639.8423 249018.5012 2040737.902 1284995.745 183202.825 1669670.741 3920565.443 1662389.926 1980407.69 2772085.258 178845.2363 1265729.493 208521.8846 234511.8481 1623226.321 1667206.964 586030.5326 466073.0307 316560.0675 914551.8337 92231.8496 607774.896 835585.1887 665177.957 4411140.322 3001939.607 896468.5628 1278345.038 278532.3632 4130590.818 1757807.641 2329330.981 1153683.929 2438139.867 146960.8935 2547280.995 175032.3638 451249.7603 152052.6434 202162.8665 1654456.94 2443988.894 2646021.035 2056937.67 174452.4101 1302112.256 409776.3113 2618733.009 714858.6002 1215690.361 507230.1449 1712710.101 410812.4624 4-[(1-Isopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-2-morpholinecarboxylic acid 9.99 68443.8762 285.1453 68697.4958 62040.3929 44027.0798 64853.3367 111988.7723 63184.66 482114.9896 141931.2 69679.5053 106922.4132 139821.121 129136.5337 96870.8501 88838.6083 448310.6229 309171.8845 50174.2786 76731.897 62714.3745 76165.4186 73627.3362 67763.6239 60843.763 73935.3156 686127.8753 460214.4288 59576.7141 42995.169 103260.7123 611643.7178 453378.0423 489566.4554 939131.743 1929022.309 71345.9809 7859022.612 83050.5952 92797.5054 70763.8577 77937.806 56669.6678 54039.2929 335224.6382 326890.3053 95791.7137 109795.318 81178.3691 344711.1073 303317.9117 749825.3476 86361.2247 1095985.606 57479.7071 4-({2-[(1-{2-[3-(3_4-dimethoxyphenyl)-1-(3_4_5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl}piperidin-4-yl)carbonyl]-1H-benzimidazol-1-yl}methyl)benzoic acid 15.762 23522.0164 789.3479 18254.439 29791.9228 341606.0362 457030.305 23952.6252 174538.4236 593961.315 141771.6102 551227.9705 454374.7427 23496.7761 223899.3328 26521.5959 61542.0723 483405.4558 392969.7071 308834.6134 36231.821 48175.2484 82535.9826 27611.4599 373297.6283 136994.6275 151366.1224 362410.6178 418800.0978 150373.2156 293323.3676 23112.0924 624936.8358 235569.3002 232811.6786 218270.3569 542866.6322 155232.1417 306620.0582 20739.3645 23659.7725 40661.9876 48213.4853 119045.7649 204541.6052 451332.126 209098.4122 21737.613 128035.7471 54905.8135 331042.9475 67825.3374 166466.9306 46962.5402 230972.7165 29425.6497 4-{2-Hydroxy-3-[(9Z_12Z)-9_12-octadecadienoyloxy]propoxy}-2-(trimethylammonio)butanoate 13.558 1342150.591 498.3803 3334647.233 2677687.867 52791057.06 45518636.84 647873.0182 11240703.28 13509065.15 6803258.368 22760121.41 20089546.56 2966715.758 6075341.544 606620.5689 1182189.001 13583540.17 14373719.75 18708374.04 844760.598 5187609.972 4635098.925 5141125.109 10870775.36 13438927.62 3241589.201 17183762.77 12792190.54 15585634.38 22350295.89 1953296.272 15735926.1 7513865.808 9103918.463 15548193.79 31876603.55 2850023.684 10958540.53 1376351.752 771388.1043 2513306.102 1792933.694 12971316.73 21781056.46 14692694.96 4613660.047 2957574.342 11986675.05 7548785.914 15243980 4018077.859 6576284.689 4615554.895 10474030.15 5548088.142 4-[(2-Nitro-2-propanyl)-ONN-azoxy]-1_2_5-oxadiazol-3-amine 1.685 52311.6568 217.0688 292285.4133 433127.7135 2936854.209 2899836.755 54537.215 1588830.5 1899735.278 1717035.115 2001581.374 2120801.338 40709.166 1378713.597 75703.0972 753586.9905 2323484.233 1989114.594 1192233.488 727443.5252 672960.712 763905.5346 991907.8287 2897015.544 946686.8762 1071015.676 2432917.075 2799283.474 1022471.35 1222923.541 46900.9839 2903627.581 2962544.102 2530569.563 1389014.438 1812607.997 2050812.984 2322316.587 38491.0556 71533.8222 781386.3444 845307.4218 1057510.601 2385697.313 3917558.698 2810572.04 76383.5812 899821.5053 338244.0341 3722685.981 288665.1213 617832.5266 342669.1751 1050143.956 254832.6572 4-(4-Isopropyl-1-piperazinyl)-N-{1-[(4-methoxy-3_5-dimethyl-2-pyridinyl)methyl]-4-piperidinyl}-N-methylbenzamide 12.797 2274145.484 494.3489 3718657.171 2047206.598 36243557.72 31770488.13 1043028.093 10480003.05 12683205.64 5334200.197 46016914.29 37927134.47 2555563.373 5551198.829 603424.2499 1152680.614 25490335.07 26277429.47 16283919.52 1542770.986 3647309.135 4027248.239 4100949.571 11653980.25 19129173.68 2969280.102 13990667.92 7994411.558 21114328.49 29352090.42 2164681.602 13599546.87 8049484.215 11139223.41 28704870.91 59297943.93 5822623.95 10947538.66 605166.1696 638613.0245 2890632.802 2259225.513 22005965.79 24875490.23 24928829.44 23047143.2 4259234.819 10649240.01 13084852.08 28766117.67 6144288.727 14064289.63 8155583.507 19330084.97 7439355.575 4_5-Diazafluoren-9-one 1.855 134965.8178 181.0415 1525825.944 1768639.248 10705202.12 8281221.119 101760.166 7178521.03 8827217.599 5492058.35 5268917.99 5337410.046 98228.4459 5145054.504 446312.0795 947474.4515 8698310.693 8376657.122 5152927.415 1227553.228 1955060.338 2736673.105 1577491.18 3987044.571 4226856.052 3751327.909 4350065.332 4083606.346 4842099.946 6522940.403 111494.7076 4593960.161 7434957.299 9321002.867 3572244.52 4765095.776 2512892.546 8413450.715 87743.202 304128.5932 1309349.335 1607150.038 5949000.862 5387902.923 4005900.403 3494525.71 412722.1438 6228637.98 1460784.377 3832973.94 854030.5808 1757909.076 1657012.136 2456582.759 1288011.733 (4_5-Dibromo-2_3-difluorophenyl)acetic acid 1.634 972109.0208 326.8488 1860049.706 693763.5592 108824.2027 314013.2841 883260.6456 318150.5551 377165.3575 681658.6941 432239.2788 387945.4206 873071.2957 283769.7793 1717631.81 917034.0781 340986.911 320264.1108 364218.7677 1616406.076 688727.9843 805408.2495 639820.694 366806.6447 457155.1195 904003.6231 231022.6532 412041.8942 484285.3334 267839.2755 758626.2051 330890.6623 993220.3962 351527.1639 418409.8801 275576.4008 461772.3461 358845.9619 814159.4936 785128.9571 1356485.095 767866.7089 498211.5085 429132.77 578787.3172 3581400.571 826360.9739 299405.5331 1384294.354 328833.2529 575404.0301 3684644.296 804051.2119 2216152.903 514979.438 ({4_6-Bis[(hydroxymethyl)amino]-1_3_5-triazin-2-yl}imino)dimethanol 17.616 369181.224 247.1156 261923.3638 1785052.005 204800.8414 187919.8625 375741.9049 256165.0148 151153.8755 172545.1555 244490.5481 252912.7945 446209.1374 183248.498 697168.6722 456321.7505 222232.8406 174411.3801 202928.5729 478623.857 377724.3119 409752.1411 1666894.292 1551022.48 210944.3994 1480178.884 189299.8947 599096.3901 291807.3378 252132.2841 395665.2989 183614.9401 327704.2519 259585.1397 248435.9034 198497.7961 461832.8202 259949.0711 408073.2439 416278.4685 335979.5964 466354.121 241692.8715 286726.9533 1655441.347 1749160.99 1922676.034 222227.793 292109.9955 1591530.47 2551880.281 267914.0302 388157.3779 300180.1155 266042.8968 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 14.115 34779483.18 429.3739 18897968.86 7902467.018 7847073.377 14910253.36 10698900.74 5411848.34 8056400.94 17899729.49 3875500.731 6461821.479 51780906.01 16658867.62 688784.8134 515969.3469 9300409.76 13821866.8 28288060.75 1686807.674 32647540.71 9929415.385 75734828.79 10286095.5 15066907.17 5993488.738 7582765.084 26586958.9 30063298.18 20713777.39 27318070.44 20950772.84 1874208.23 5190420.181 6835546.228 4867372.52 51688086.34 7318277.81 16948616.78 8540486.825 46389397.11 23531040.17 35000730.76 1665994.645 27219319.47 17888353.47 38562222.15 10598828.85 17142873.8 14863584.97 12882428.34 6657133.543 18397297.77 6124124.152 8887505.514 (4aS_6aS_6bR_8aR_13aR_13bR_15bS)-N-Benzyl-2_2_6a_6b_9_9_13a-heptamethyl-1_2_3_4_5_6_6a_6b_7_8_8a_9_11_13_13a_13b_14_15b-octadecahydro-4aH-chryseno[1_2-f]indazole-4a-carboxamide 16.776 709467.3818 568.4289 4834602.228 4812421.07 47988052.07 32944241.77 877723.9009 28336039.7 43125229.83 21390402.12 32244866.39 27361118.06 343625.9402 25343230.26 343547.7796 6582219.557 29457059.22 35850371.52 14080792.28 6506382.48 14877294.23 18424773.93 4736544.961 10937301.91 10464762.08 17712197.84 50916624.87 31761216.33 10380955.99 26284432.78 706528.9773 39613610.04 24561727.19 21354656.06 18226827.44 25885706.36 440123.8861 29940885.49 1065913.306 1309951.978 362816.7379 225462.5026 18218163.09 28355143.88 18834868.13 26212515.49 2756568.293 14095221.67 12356228.83 34763404.42 13408354.67 22222279.5 13311909.93 35173515.2 10876500.57 4-carboxy-2-hydroxy-cis_cis-muconic acid 1.86 14048.6682 201.0041 10581.9468 10037.0192 1686911.749 1643066.44 13850.446 8088.2897 106439.0411 8507.6552 1723039.177 1828889.865 13209.3059 11601.9915 15465.7492 12770.6059 810202.3766 969560.6635 300513.3396 11854.9384 8892.0923 10651.3565 10160.4471 205023.2507 417582.782 27412.39 24682.1172 17177.5436 526967.4547 859097.0975 12769.8291 17493.2479 18159.2367 30516.0331 800757.3874 1215214.344 9489.7382 37640.5953 11802.7483 12823.3878 10425.5513 12056.9381 45542.4721 188145.9528 142747.7612 100986.6888 12542.7909 48563.2613 10062.9516 142318.4125 10653.8262 10487.2551 10971.537 43820.0041 11065.1672 (4E)-2-[2-(1H-[1_3]Oxazolo[3_4-c][1_3]oxazol-7a(7H)-ylmethoxy)-2-oxoethyl]-4-icosenoic acid 13.129 4731606.03 496.3646 7388449.517 5183826.803 80244820.46 73224068.53 2663358.982 21513841.79 26094313 12469779.08 59459774.34 69884538.37 6507061.438 12046021.88 2277109.909 4018570.478 36585849.68 35750776.18 32170609.8 4304509.583 11515148.72 14487549.16 10151099.19 18250178.49 24877955.76 11584807.23 32266770.35 22326711.67 26830257.66 39154240.55 5151400.761 29074100.31 15052325.99 18232486.89 34349753.95 64940606.73 7357276.832 18490960.06 2423388.167 2324866.157 5458712.698 5523080.274 34027468.01 52608273.43 28902706.09 27384130.39 6505211.538 31583407.81 15630497.14 28349726.38 8979523.017 14136117.38 11931862.15 20655490.4 12331389.67 (4E_6E_8E_10E_12E_14E_16E_18E_20E_22E)-23-Cyclohexyl-8_12_17_21-tetramethyl-4_6_8_10_12_14_16_18_20_22-tricosadecaen-1-ol 16.715 238325.5984 459.3635 185219.6006 177876.471 1942900.651 1358379.587 236840.3202 352215.7995 2851681.239 542334.3939 1474474.53 1233543.886 332803.1137 392293.732 236039.8095 223096.3896 822289.3998 549048.3715 679556.7396 449553.0979 154900.7559 530223.4922 425119.035 323733.3334 541613.918 703086.1849 1142716.811 1422758.756 218001.8709 287914.8694 288702.1701 1102379.387 1184720.196 1424083.935 564072.022 1763117.796 263196.4453 1238775.53 948188.9238 347199.7267 195195.339 200561.3838 1014907.097 1559945.794 530205.7395 610838.9563 255561.889 495198.4414 326089.7474 460779.1047 172424.0083 725084.9388 176435.3763 599951.2231 440766.146 (4E_6Z_8S_9S_10E_12S_13R_14S_16R)-19-{[4-(3_4-dihydroisoquinolin-2(1H)-ylmethyl)benzoyl]amino}-13-hydroxy-8_14-dimethoxy-4_10_12_16-tetramethyl-3_20_22-trioxo-2-azabicyclo[16.3.1]docosa-1(21)_4_6_10_18-pentaen-9-yl carbamate 15.36 993707.7861 793.3824 1267106.854 715722.583 1220225.556 688177.3673 7066825.456 829980.2999 207076.6144 264940.5974 1108836.891 738549.2526 293276.7026 407778.9262 553246.3316 377300.7095 433912.7135 233568.5661 924247.8379 175641.568 3624487.783 852830.0995 640074.136 1203864.299 655701.5861 829941.3418 407366.0602 465425.988 423513.5014 800461.933 221047.3935 544066.947 73339.3992 56716.3422 329114.4841 433057.9851 1312405.256 13663.25 459434.981 713141.0888 1637713.506 6684906.927 987132.0566 443928.6224 573186.45 979174.6885 2126281.924 1320485.559 652373.8505 541733.0757 17570.8608 17592.9513 1574193.785 120685.3143 1685127.498 4-Ethylbenzaldehyde 4-Ethylbenzaldehyde 10.088 3931852.654 135.0808 6898814.621 8531529.636 41968427.13 41245030.14 3801576.572 36542900.73 48833862.24 19931505.66 22838653.93 25718891.88 3999199.979 21828494.63 3484433.526 5161177.063 43087684.61 36149063.87 24205872.27 5933996.806 9554921.693 12644003.38 8327461.552 29557182.64 18169897.88 17584405.43 32620373.69 20705073.21 18824200.47 28352691.45 3791847.637 25113043.92 26328919.86 32170710.24 16995548.36 27552488.34 13314565.88 35395540.99 3566992.488 4560433.454 7729305.328 7886423.891 23513964.72 29787110.16 17354612.36 16094235.32 5029397.378 29692465.73 7155140.625 17314849.6 4514336.717 6765413.693 6038237.051 9768280.244 6802013.775 4-Hydroxy-2-butenoic acid gamma-lactone 4-Hydroxy-2-butenoic acid gamma-lactone 1.588 1111454.714 85.0287 1325522.26 1290351.762 4557469.061 4846246.562 1097989.823 4785089.971 3551269.378 2278960.025 4189749.917 4974093.287 863596.2144 2000972.326 1011632.688 1103965.352 4206105.216 3503409.904 3742867.898 987519.1663 2284666.878 3824922.318 1468813.307 3258753.115 3074435.134 4216836.823 4402536.797 4237022.773 3315227.847 4480720.543 1027771.458 4204713.438 3018474.475 2965026.637 2979708.183 4279692.893 1390910.291 3589770.135 839037.5179 1008231.298 1023843.901 1233697.926 2292393.12 2542039.038 1990654.193 1536820.151 1134963.75 2414704.009 1210783.675 1826562.944 909222.7692 1287306.538 1034003.619 1507795.894 1222784.56 4-Hydroxy-3-methoxy-2_10-bisaboladien-9-one 11.667 18197539.68 267.1959 2160893.668 3155443.301 1909701.531 1892459.947 4584620.061 910935.1954 2328557.02 2643479.226 3004900.311 1287323.026 3324871.195 2754072.107 4698601.38 2499708.271 1948902.742 2455579.065 10115716.76 2498007.154 2028423.963 629082.5744 3056255.365 2102436.413 2015226.071 2523885.173 2129748.914 2038912.569 3121848.272 1973943.546 3425628.458 2051160.28 2610133.922 2727484.437 2948598.379 2917222.998 2971681.546 2574990.887 3405371.354 6026479.691 2722583.085 3794059.19 2869726.507 2142008.703 1948820.592 1516633.114 4955996.528 3987433.597 11171939.41 2311080.2 7553328.716 2366051.627 5395336.974 3350575.31 2312093.722 4-Ketotorulene 14.395 539325.3675 549.4107 1133959.045 584102.4265 9434463.655 8101192.182 492514.3721 5514654.561 9035971.04 3853949.165 6496426.593 7945461.748 621795.6854 4261582.745 573341.0183 476905.0993 6843268.676 6184430.583 4741590.466 508985.3299 2542175.98 2329358.665 566139.5911 1480846.296 2873121.333 4608808.674 9841260.197 8171342.704 2933514.287 5558667.096 745784.9826 7422912.401 5821864.535 5705931.757 4273221.888 9552650.727 5997024.167 5078371.257 561357.8363 660050.8629 485829.5506 507626.6909 3322048.882 7081697.677 10110645.59 5208900.802 506521.6324 3640450.076 1776580.06 7285813.312 2090108.075 3844028.808 1160519.039 3870623.157 1688146.557 4-Methylsulfonylacetophenone 11.024 21205.8822 197.0278 15747.7949 14767.9312 140373.3353 103876.3966 21030.6204 120663.029 137213.9075 40602.2191 95013.6283 119400.2026 19516.6193 46910.7821 22422.6905 19263.0255 107426.7153 94061.7591 130182.21 18989.3359 41157.486 55927.3617 26819.7358 121110.8675 62317.8659 82942.3279 162509.986 97496.1837 66407.3865 111528.2971 20074.7538 116487.9584 75129.8961 82527.6583 78600.039 136050.7391 48145.2152 94661.9849 16891.7154 20357.2304 16417.6846 31187.8697 103279.9721 134169.0309 80497.9098 70307.1956 18678.0391 107745.8988 28161.7964 79628.1809 15626.5317 25980.3481 27234.2275 42166.8582 19050.63 4-Morpholine(~13~C)carbaldehyde 9.023 505381.9493 117.0743 152449.0334 148588.9905 237668.7667 68360.0265 998750.979 179732.3532 143458.8045 191980.4589 121278.6938 125801.2092 248629.7687 144256.2375 526535.8709 933106.4984 66743.6024 221360.4302 76799.1042 836657.698 161028.864 1330679.192 805495.0794 732144.0392 183769.3328 100366.7196 135586.0084 236878.7329 238618.3082 77257.165 344134.8102 122390.0396 651200.7431 114055.1732 78236.7302 113818.0133 1501805.843 153594.2806 1299211.704 156057.419 412492.6778 142321.8989 243082.081 109700.2113 268693.552 116448.2904 605917.6847 508901.1074 202651.3561 120376.3361 213088.4086 107557.3925 134059.217 123585.0085 902270.7563 5-(1_2-Dithiolan-3-yl)-1-(4-morpholinyl)-1-pentanone 4.075 129534.4783 276.1086 192443.597 318963.0983 1809422.981 1679408.693 140030.7045 1380488.17 2182157.01 1211821.502 512743.5895 394970.363 115091.1941 65711.6799 111815.3531 259926.3376 878112.8066 627797.2881 1531294.563 93265.6316 341079.7219 702582.0546 178577.8604 82361.7688 129895.5172 926525.1329 1950052.419 1278179.386 245992.0336 305102.615 105751.6076 56674.352 850742.6655 237318.4855 384232.6068 781290.5176 874762.2971 1319592.428 88137.6578 106452.0419 389072.9473 326661.4987 274674.4147 72402.1543 807012.2082 68813.4627 123937.4848 313668.8096 91748.7581 870440.5544 149661.0198 411566.0773 109820.7839 631878.885 124388.3547 5-(2_4-Dioxo-1_3_4_5-tetrahydro-2H-chromeno[2_3-d]pyrimidin-5-yl)-2_4_6(1H_3H_5H)-pyrimidinetrione 1.61 674023.1062 341.0522 13802853.6 17588186.55 36784927.59 36584305.44 634489.764 32166093.16 26426218.63 23363024.55 31433317.82 31374310.14 401948.0131 17433582.83 1331117.659 14484695.43 29622774.09 25233364.19 25396846.97 13960557.27 28016515.99 42452385.01 14122964.44 20620393.03 25928760.78 48309027.3 28812735.53 28611615.43 30150494.91 37633343.46 732575.5811 23581764.07 33417777.09 31324992.71 26274156.68 26196006.32 5144459.673 35209165.15 118991.5772 943720.9988 3669613.436 3589880.812 9447557.438 10555221.87 13293728.53 8715756.124 1159812.873 9558746.107 6282924.472 10603513.1 7954801.661 15870681.46 7034143.102 19682602.86 6306906.854 5-((3Z_6Z_9Z_12Z_15Z_18Z)-henicosa-3_6_9_12_15_18-hexaen-1-yl)resorcinol 14.213 216387.2646 393.2799 344824.0211 311874.8599 4371875.048 3451585.453 237903.6356 2122350.1 4287555.054 1783971.541 2915644.183 3540740.862 257597.04 1686692.611 258069.3346 222197.3853 3090673.155 2500938.638 2744701.665 306005.2473 873145.657 1603492.878 213575.1738 1251026.786 1991625.661 1741286.324 3771031.46 2660883.857 1516507.592 3391726.304 260757.814 3802782.483 1999920.775 3337451.947 1901381.952 4567821.633 274309.7219 3068502.492 252559.8882 239022.4541 202499.0592 199494.3037 1867240.307 5122332.179 2244461.401 2604924.514 260381.1681 2262510.681 753149.7654 1855308.037 602892.1355 1490985.457 609056.7186 3524085.751 1308193.976 5-({(3β)-28-[(4-Carboxy-3_3-dimethylbutanoyl)amino]olean-12-en-3-yl}oxy)-3_3-dimethyl-5-oxopentanoic acid 15.901 232538.7281 726.5321 186596.2756 192507.6613 6022384.051 3130855.677 315618.0854 1352132.675 6304960.57 4196030.583 7114079.893 12212925.89 469037.6057 2273835.407 309076.7961 307950.158 6721428.549 5212236.213 5499609.546 344333.2524 191029.7692 203154.4024 650179.2222 1179108.429 1057895.485 426759.3841 3216875.654 2731225.787 867379.0601 1430387.166 266849.5537 2739047.865 1660920.657 2084850.055 4925189.225 8367342.997 4446790.557 2017439.425 287948.0172 403134.4513 550962.0277 612530.8013 954147.1207 1858986.268 1594812.216 3296607.437 376910.2554 257085.8456 941488.9544 4763341.602 623607.7796 1643553.962 272962.6654 2968869.811 200632.5996 5^_8^-Epoxy-3^-hydroxy-3-methoxy-4_5-didehydro-5^_8^-dihydro-4_6-cyclo-5_6-seco-beta_beta-caroten-5-one 14.801 611154.8247 613.4268 529264.9236 526316.3186 19957331.01 12193352.09 663512.2112 8252089.703 12712150.77 4118994.949 10777822.04 11790694.35 715541.3063 4852926.681 845108.4697 581118.2916 14937737.12 8704398.296 7570930.213 630581.2319 1940836.193 1579985.334 1171430.998 1044756.073 2663821.356 700281.5592 10492856.96 7949089.086 1418471.395 5089516.541 629788.2271 10617823.01 4774225.816 7251300.145 4744076.611 14838617.27 441417.4638 6972479.193 619148.8122 757777.4181 583796.9229 636016.1448 5159484.917 10360902.93 4408943.346 971783.7619 636015.0946 4652832.402 1332836.106 5639741.292 573669.0393 2604079.064 1193043.002 5565817.545 1168506.562 5-(Butylsulfamoyl)-1-cyclohexyl-1_2_5-trideoxy-2-[(4-methylpentanoyl)amino]-D-xylitol 13.36 336914.1726 435.2906 514501.8439 761741.556 9477260.369 8202647.942 280601.1911 5142914.139 11423062.91 6417777.633 8659184.466 7309675.693 253085.0007 5133723.333 306387.1647 1082146.545 14954511.85 8160139.656 3201815.192 1231689.474 1571907.639 2862564.451 330785.8783 2591235.107 3781930.512 2649547.613 13242033.49 8878780.091 3227774.9 8022146.628 333834.9632 12310537.18 5869218.111 9764589.694 6802125.104 12496877.91 270825.9036 11171844.9 251161.0465 312690.9847 252288.1649 280822.5557 4839677.014 11083497.71 7962976.541 7001331.265 578709.5519 5527460.278 1830499.503 7394084.838 1554518.447 3679432.57 2064713.186 8640666.917 2729129.908 5-Chloro-7-methyl-5_7-dihydro-1H-purine-2_6_8(3H)-trione 1.491 21517.9496 214.997 146431.4827 142224.6086 945352.183 853150.1203 20968.1786 325954.6337 858756.7124 338955.7594 598878.8555 763595.2614 20785.1956 361691.563 22388.3636 164445.0667 493931.5352 461435.6506 558457.3829 203369.4302 354820.587 404823.2079 206300.8653 488644.0324 218560.5829 465064.2946 818604.3016 706438.6284 257272.2412 347908.6323 19278.9369 663770.8693 402575.0117 438820.6297 290255.8493 509241.2201 438775.5911 609102.8802 17853.7024 20844.6944 242656.7147 303844.3642 367958.7903 318383.0213 577691.5473 522308.9333 45876.0348 383267.5265 198510.8591 479815.4187 216878.9442 455229.7264 189809.213 549742.6698 149338.1452 [5-Hydroxy-4-({[(4-hydroxy-2_2′-bipyridin-6-yl)methyl]amino}methyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate 11.96 116593.983 431.1119 357433.8759 425508.856 3024953.228 2774992.115 146958.5057 1861973.613 4633252.956 1736042.898 5798302.06 6198960.538 101982.1044 1947037.598 197493.0486 430398.5951 2499038.482 2533809.572 1693469.469 484650.5192 470534.8915 770558.1013 452300.2172 1649293.635 1577047.975 1047724.577 1485373.896 936650.6102 1607217.331 2896277.475 88915.7057 1264472.793 1137911.992 1393566.329 1120169.345 1657336.964 984127.621 1501123.113 78454.8789 150558.7503 495510.1809 564725.5904 2365140.677 2113786.123 1358399.716 1347945.626 254378.1128 2639435.574 452933.8278 1459869.105 233053.6466 468111.3512 442741.3387 743922.2296 383049.0342 (5-Methyl-2-pyrazinyl)[3-(1H-1_2_3-triazol-1-yl)-1-azetidinyl]methanone 1.869 1209901.18 245.1137 955392.252 880010.3683 1996520.573 692391.9781 1124803.529 598910.1529 1564843.01 913740.7911 739564.8333 710984.7837 1143543.184 957281.9321 1636870.406 812306.6635 725561.1861 624864.2905 759116.6397 962767.9849 1047566.022 1052633.545 980064.5428 1347870.66 985955.9958 1771207.762 1214333.776 1582754.401 2039890.025 1907025.424 1161450.247 1543407.383 1441064.479 1994030.905 728658.8621 776500.1274 1003559.032 1521964.362 792794.619 1079379.063 865332.0243 12533718.94 1016383.942 2918470.454 1752497.385 2304074.145 1182807.891 1867512.4 993363.0675 1643243.68 1048465.039 921953.9991 1231543.426 1069401.663 1046704.492 5-(Propionylamino)-3-piperidinecarboxamide 8.969 129409.1931 200.1399 73781.3792 132977.3109 1240548.211 1376524.904 124248.6637 414277.6871 875548.7637 398838.5984 5552626.214 5568320.532 90876.8457 453986.186 130422.2895 257160.605 8747868.647 8210997.296 542914.0844 282842.4838 224862.8553 276719.0835 221112.6107 555825.1296 696028.0732 267034.7392 1644416.439 1006646.96 572277.3762 914180.1617 84008.5848 1138258.413 602532.3627 620552.2211 3201348.677 4926666.687 457337.0485 786951.0676 54809.993 75910.651 231206.919 125661.6671 450468.8368 187390.8626 405269.9072 547564.4612 89756.7706 528919.4186 265455.4815 548276.353 288899.6921 273827.0069 260576.1353 677179.7368 207591.3415 6-(1_3-Benzodioxol-5-yl)-3-(2_3-dihydro-1_4-benzodioxin-2-yl)[1_2_4]triazolo[3_4-b][1_3_4]thiadiazole 8.975 18379.7524 379.0512 14511.4649 13834.365 244302.3843 232253.4846 18657.9132 40194.0084 69128.8464 11606.1092 55429.3418 62308.5966 18716.2073 24171.3325 20893.898 16848.2161 70409.7637 82545.4876 184383.5667 15962.0008 13121.3818 14186.3419 35790.6335 203813.3425 12821.5415 15128.854 63902.6265 40905.4615 12407.915 21299.2412 17571.2424 44324.0401 12029.8654 37047.823 20215.5171 56794.6789 79487.1715 35535.5099 15628.3049 17953.6642 18784.1247 28320.2714 16748.3782 59160.0162 54325.1117 46774.0877 17218.8042 13509.3191 14382.6939 71220.6383 14291.5677 13500.9667 15031.5428 19158.0201 14598.9583 6-[1]-ladderane hexanol 16.236 2351786.555 261.2218 1926914.769 1479045.767 2950014.567 2443159.978 2399158.283 1872291.38 1959806.656 2074439.792 2344332.77 2751190.486 3795408.902 2761907.543 2052202.691 2307032.935 2183283.202 2152163.082 1754335.428 2257893.002 1890349.043 2026648.24 2827218.238 6718051.056 7751182.384 2244196.774 2391071.495 2107630.077 2556536.112 2370087.335 1613522.748 2435125.641 2193599.999 2192346.246 2841324.801 3354488.988 2401100.169 2779197.864 1188572.645 1874488.548 1855398.945 1727535.181 3000061.463 3207542.208 1730670.464 2258738.834 2320984.805 2315947.087 2421970.175 2277856.532 2140085.7 2447383.572 2425154.998 2870883.529 3630657.605 6_7-Dihydroxy-16-isopropenyl-4_18-dimethyl-14-nonyl-5-oxo-8-[(palmitoyloxy)methyl]-9_13_15_19-tetraoxahexacyclo[12.4.1.0~1_11~.0~2_6~.0~8_10~.0~12_16~]nonadec-3-en-17-yl benzoate 16.882 261566.67 891.5654 197760.9888 204727.9141 233460.939 206375.9317 259920.7237 168511.4523 147019.2003 537746.7206 165520.9341 499157.5856 2290096.037 168316.9053 385307.3424 245920.2437 178392.7195 183321.8142 251419.3201 217278.1335 195299.2979 190778.4809 262615.7759 422410.6148 2274518.548 336154.0262 141373.8154 148242.1161 1115976.034 178435.1386 204109.8125 138265.5916 180093.4509 803922.5903 172910.1042 1488679.68 750870.9474 1943756.381 450419.4668 293669.6913 207699.9448 244912.154 233318.3669 211189.6365 197327.8558 165764.57 906574.1876 216025.3881 2672853.022 140323.3165 191524.7697 194556.9442 237635.4393 166054.463 240639.2816 (6aR_12aR_12bS)-4_4_6a_12b-Tetramethyl-10-phenyl-1_3_4_4a_5_6_6a_12_12a_12b-decahydro-2H-benzo[a]xanthene 14.818 235082.9373 375.2693 250708.505 195423.0034 5301914.859 2682008.887 265690.9471 2621310.535 4623056.134 1901107.685 3653391.449 3535263.43 255063.767 2023370.593 216018.3318 428770.8078 3790146.157 3732399.994 1465715.863 400385.1521 655161.5518 1176528.669 234525.5762 892341.0514 1514393.549 994449.2477 4121963.019 3142955.131 1760420.608 2525393.494 252186.814 3278834.667 1922798.845 2896220.851 2575760.147 3709781.834 278027.5137 2624704.027 241258.2149 303437.6709 220770.8768 254680.6661 1876495.937 3140066.508 1175346.893 2114059.11 254680.2456 1966042.169 978922.0707 2299776.736 957046.5944 1259896.333 1616417.078 2109747.09 937403.2824 6-Chloro-3-hydroxybenzo[b]thiophene-2-carboxylic acid 1.665 23468.122 226.9586 120396.0939 196171.5949 3267126.264 3173664.424 23344.7473 1667074.886 1074493.272 306548.08 1927476.545 2315325.953 22769.1089 588777.0907 26378.303 71312.8939 2852482.429 2315963.126 3096612.596 105110.6792 395177.5754 370780.7087 542998.9734 2907939.61 1153031.356 562720.3471 2661778.335 2225161.021 1045486.617 1443895.848 22631.7191 2575814.317 591873.6889 1437039.041 1335599.789 1876140.2 2062652.476 1518969.767 20179.2793 22621.9369 643659.2478 605950.4112 2186332.13 3627895.736 2134835.728 1755320.093 20893.0252 2302947.885 223809.981 2261199.726 37623.4754 131426.3147 190527.6273 250895.939 172302.4698 (6E_10E_14E_18E)-6_10_15_19_23-pentamethyltetracosa-1_2_6_10_14_18_22-heptaene 15.573 2657747.72 395.3683 5114766.842 2735955.42 3695951.861 6399370.758 1827108.968 2535520.968 2983421.839 4173930.926 7522934.587 11951741.8 815679.7848 6126311.194 5337332.024 3837603.284 2835915.437 2212869.426 6543682.212 1522141.906 2329788.149 1338636.46 546014.8506 5141203.831 3859688.159 1264622.909 761091.4354 1347798.935 3288102.238 2855237.018 461379.6464 2458354.592 826647.6182 416359.4671 715650.96 8168463.987 801385.0766 1501871.215 543524.1448 632516.99 4499644.052 4434153.247 647564.2816 7119126.664 4518028.116 1639472.951 10630954.63 5795566.696 1136748.966 1583952.054 805570.4156 1191228.088 15641509.51 602590.1855 14818057.52 6-methylheptane-1_2_3_4_5-pentaol 11.98 19595515.9 195.1226 14637219.96 17821648.37 15069176.73 13474408.36 23658113.51 25508718.33 90858817.05 14527810.73 14977203.01 12166585.83 15313574.82 10415864.2 30419251.9 15104363.83 12910140.45 12167589 15227967.04 17745184.53 16267817.01 14961528.47 14828601.02 18683521.79 13721936.14 14697188.92 11868400.15 9043547.531 15068553.86 13583050.41 18796086.58 9240042.834 84982844.49 11728374.35 13415054.59 13387572.75 12104182.14 10887520.62 14613507.02 21905355.3 13802495.97 20965047.01 15449470.73 12316430.02 10152049.3 85815798.4 17948462.94 14613782.04 15743481.7 13174383.46 130569646 12949595.42 16728667.31 12519521.99 15515163.3 (6R)-5-Acetamido-6-[(1R_2S)-1-acetamido-2_3-dihydroxypropyl]-2_6-anhydro-3_4_5-trideoxy-4-[(diaminomethylene)amino]-L-threo-hex-2-enonic acid 1.581 39973.0876 374.1668 128758.4992 145980.8734 3306242.041 2854637.635 34916.4679 3134109.524 2026495.143 496875.3053 3061531.75 3224671.997 26397.8643 1092005.943 35096.2009 56681.9509 3603855.4 2574166.911 2634566.449 100815.8087 424720.1326 825717.3495 245002.7717 3565517.278 1877159.782 1392959.213 3511998.584 3445525.397 1401882.972 3576121.788 34350.9897 4666762.588 857901.3083 1959248.178 2366942.085 4928610.854 232577.3409 2080544.886 34520.8809 29376.5566 15919.1259 33386.3421 351738.5094 1745465.993 507680.275 778505.782 31129.4532 584530.8279 60876.097 849239.5069 36892.4719 163897.137 37439.5121 372481.5518 37495.1282 6-s-cis-locked retinal 14.881 31209991.1 565.4055 5486288.31 4014860.005 9851955.359 80538174.57 5220228.904 7082508.015 7347199.276 35573217.22 8510102.019 17458074.57 78320861.94 17862660.24 1381411.78 2969938.236 8764166.75 15224515.27 75233640.46 6179012.034 33485713.6 14560800.95 62340691.59 16449689.75 13019749.45 13481369.19 16818772.78 34961528.67 11521741.39 9651997.838 12882044.17 22440148.84 7886166.345 12571164.51 3904982.071 12856788.04 67914741.37 13530008.85 34299562.44 1202975.24 32620817.74 20782321.22 15903381.94 5694311.683 18106964.41 7501784.619 24930668.36 3781719.05 10148461.1 7236067.967 13471609.27 6374395.109 7915028.373 10012928.7 5075947.244 6-Thioxodihydro-2_4_5(3H)-pyrimidinetrione 9.093 188775.9033 158.9865 194181.6089 93313.102 127486.5103 1238484.874 222814.5989 130456.9595 643709.9922 1052929.973 124571.014 1378084.784 2002019.915 914668.6722 206269.9701 151016.1891 257777.8234 1391335.486 139443.7529 140294.8441 988800.516 330523.9232 121856.2317 171799.8088 1352424.303 154823.1011 248312.2775 150193.285 1324263.422 1491242.741 303899.4747 84718.1473 1033031 802967.4394 1449215.203 148643.509 286393.4072 114279.0054 139072.6814 2027042.525 146636.099 1342358.181 179640.7497 1861850.621 71002.394 81073.6267 187277.725 1764847.266 1846537.108 107829.5448 93135.4901 720675.4629 1735612.184 1064571.377 1683459.651 (6Z)-9^-apo-rhodoxanthinone 12.998 285285.2024 399.2695 203488.9233 183551.9789 4276059.238 3635772.414 253749.294 1715833.197 6160792.66 1803593.229 5225893.093 5563607.178 256031.6373 2131311.105 275127.4558 214215.6863 4589285.816 4724845.9 894571.8119 244839.0794 196378.2092 503096.7814 186687.7532 666192.0711 862755.0322 1353431.279 7887053.346 4045184.353 1119504.979 1681971.236 149583.6078 5747006.889 2308217.89 3349950.906 2560268.118 6309017.379 248794.5998 3482985.543 231483.673 275182.3898 142087.4058 193244.3168 1896684.593 3038987.274 3272853.28 3189014.663 314643.9085 2161010.411 713587.6989 3635488.582 473740.8896 1650068.142 850028.7771 2136604.799 436524.8353 7E_10-undecadien-4-olide 10.583 17818239.02 181.1227 21559704.02 20237885.4 58921288.25 50897640.93 17837300.63 53498335.98 83089559.88 37638705.08 62604884.84 69613531.86 16918285.37 43606127.62 17609651.49 23975132.36 67945660.61 62620755.36 30680676.04 18712370.17 25054668.56 35340748.91 52079706.97 29654188.04 33717040.26 44018622.44 100159704.7 65939941.97 30515456.05 41832463.45 18155890.52 82307489.49 45533152.12 51268295.29 52659357.78 80071429.77 28483901.69 54990376.93 14285343.23 19291598.99 14758545.48 15957922.92 40010919.64 63567431.81 62065085.41 58858752.11 19176380.15 46370514.74 27085037.33 63286867.8 20566682.61 36892216.39 27616727.67 49530199.38 25005203.07 (7S)-7-{[2_6-Dichloro-4-(3-methyl-1H-1_2_4-triazol-1-yl)benzoyl]amino}-2-methyl-7-phenyl-6_7_8_9-tetrahydropyrido[1_2-a]indole-10-carboxylic acid 9.831 76820.1199 572.1287 16481.5282 16456.4716 16351234.59 15168837.18 22796.6861 138165.3492 181790.1274 68831.5787 230338.9946 298033.8337 21918.4761 80776.3255 24921.8187 21218.4003 169297.1569 143489.9157 12140448.63 19327.5021 61481.3256 107138.9286 3201647.299 13068225.08 92069.3234 157732.3903 177309.1517 123909.111 88491.5621 168151.347 21282.6247 166163.124 26233.5389 31649.0513 66810.0004 138105.6832 1558736.65 40784.3478 19477.9585 22649.7508 733549.6315 702381.9696 31021.1992 30139.6347 14055.1552 14213.0493 20822.9598 58446.4338 16845.7765 13860.365 16949.9292 16628.332 18355.0089 15413.3294 17988.2943 7α-Hydroxytestosterone 7alpha-Hydroxytestosterone 15.767 212463.7598 305.2118 455930.0829 459277.1045 4104418.245 3131736.624 213884.9793 470809.5198 3422423.554 1630263.893 4191098.973 4444088.52 282034.3391 1299740.573 212517.9254 642422.5233 3595426.956 3230934.234 2492094.248 294165.0271 368532.6085 1453499.025 506191.733 2274448.614 2240733.711 1295454.445 3405150.957 2762330.283 1752046.874 2137446.243 214256.1821 3088666.057 2336103.879 2277424.096 2213441.879 3198766.975 1549733.781 2422418.935 190278.0777 316068.2314 482747.5015 425168.7006 1564757.364 2165489.688 1965231.974 1941730.913 184168.4576 1652257.055 837079.0291 1991794.959 819389.0397 1064709.864 735101.4641 1879138.487 1033649.419 (8β)-8-(Benzyloxy)-1_6:7_14-dicycloprosta-1_3_5_7(14)-tetraene 15.074 197380.0017 375.2693 271293.883 151636.5336 4162903.789 2204312.896 194250.4282 2634479.676 3284946.753 1355300.661 3211398.098 3303429.139 189026.1227 1386639.991 214618.7253 428770.8078 4320679.473 1734340.829 1362969.273 382233.7548 655161.5518 672303.9941 257990.2327 1531368.732 1705410.141 1558505.907 3637142.66 2851910.796 1717708.723 2288490.944 242870.3932 3337207.088 1686596.762 2495737.273 1722909.448 4378290.474 433971.1305 2273389.844 136229.6611 250859.7973 226250.6514 464922.6988 2083066.195 3130564.777 990880.1454 2129550.535 205600.8654 2102536.02 723949.5282 1925633.769 469552.4141 829279.2895 1616417.078 2075175.797 428291.6391 9-(3_4-Dimethoxyphenyl)-3_3_6_6-tetramethyl-10-octyl-3_4_6_7_9_10-hexahydro-1_8(2H_5H)-acridinedione 14.978 617304.2021 522.3569 600576.3018 416557.4906 10956101.79 8337201.063 1101003.746 1618795.255 3355348.421 1420244.661 4849860.709 5966497.819 767235.4788 2082448.495 460716.3805 682908.4086 3653318.418 2982201.368 4306377.873 1057679.006 606313.9405 721796.3753 651621.1581 3135442.272 2137711.457 947492.3189 3428124.445 2761195.846 2164536.022 3173877.611 532863.3926 3265257.982 2007279.481 2996622.832 2306832.908 5674944.906 1511564.931 2621573.189 483351.7374 539138.0327 674982.0699 539589.3992 1363398.936 3902518.181 1689602.025 2915692.922 768658.469 977914.983 1391219.656 3649710.302 1864712.058 3089086.009 302406.5938 3786648.05 825195.1419 (9cis)-Retinal 9-cis-Retinal 14.304 154984.3729 285.2221 501378.3323 144908.5841 324593.9272 761544.3852 157423.6203 1120213.235 1292198.786 588941.9244 1690201.123 2238976.396 232510.5573 504320.7498 188962.7266 178331.0387 2079122.411 2173934.137 832835.0123 181686.0428 258457.0227 171480.2323 201801.7641 693044.2182 1158344.585 418207.6892 2616175.493 2053991.886 1273924.558 2128617.82 265440.7855 2596256.099 614250.1698 846573.9336 1033495.193 2111777.589 2242491.327 1013256.519 114865.0503 246815.4695 126130.1907 156186.4045 1466954.325 1600333.807 937916.9156 1327009.116 170793.7587 1071098.418 209134.299 1635276.878 155367.3688 240215.6018 151242.5616 157401.1788 218318.7199 9-Hexadecyl-9H-purin-6-amine 12.61 96100920.77 360.3118 72986757.25 40794467 55990607.09 54362370.72 98548779.57 57560765.88 114098904.7 214084042.8 65764080.08 67028023.73 91938759.45 69277338.02 85783613.57 86057388.07 54098376.4 52798279.39 56197996.81 80450599.71 62695094 14255082.18 67552423.17 52693429.53 54923596.22 54864716.67 51333283.94 23021482.69 62863508.22 57773707.44 84030965.47 62929280.81 64117254.47 59225154.96 55367641.65 55407578.91 50365500.71 56141254.12 76712461.51 175805189.3 27110000.49 70277379.49 61719386.69 61205006.51 66759000.5 61033505.4 93388377.76 69883495.25 73708706.22 63472690.59 17044749.59 79833927.68 69887678.23 74850943.99 77022102.71 9h-Purin-9-amine 1.678 5344564.789 136.0621 26921194.4 4364393.889 4955881.787 4100798.062 5062467.144 4035753.256 4136553.051 3784256.913 5046555.143 6630091.589 5389008.217 7549466.574 7931296.168 6323950.668 3692283.92 4500793.567 4266374.959 6256140.054 3685046.341 2013590.851 2077377.013 3533954.063 1450392.279 4572208.94 2980784.363 4238298.331 1830392.277 4740385.738 5231804.185 5146269.301 4732623.5 7169738.355 4032704.768 5243446.018 7271900.092 5045499.95 4041684.163 4573513.884 4333963.702 8131581.52 4895735.394 4627197.089 5158265.794 6300333.793 4982924.936 5579172.828 24673839.2 1202897.326 31323663.68 4930100.577 5674518.203 4165501.309 4694964.605 AAL Toxin Tb1 12.576 238334.003 506.3341 664339.1707 131220.3014 146090.6301 207703.1368 252006.0538 347783.4104 2068298.013 811014.9757 2550143.935 2417403.446 251267.1191 455457.9253 571100.9373 242570.2862 2800594.094 2731990.791 215303.1136 239776.0404 173025.2975 99258.6275 188146.6372 123246.1606 1314339.605 116659.8472 1659609.051 2158482.598 1337509.371 2074723.137 242555.6842 2940622.584 1536438.641 1933273.932 3020382.613 7020867.191 84100.0867 2038840.127 291715.9326 276592.5282 362783.4138 167910.8035 1336366.418 763205.6579 974696.9097 600883.2288 296227.9269 1660339.757 319548.8853 548021.939 223272.5043 984164.963 687821.3124 1306266.203 282254.8585 adec-13-en-9-yl}-3-hydroxy-4-methyl-5-oxo-2-octanyl]-5-methyltetrahydro-2H-pyran-2-yl}butanamide" 16.23 191769.5715 790.5482 168374.7633 154360.0152 4360797.594 2603694.014 170044.3338 1398249.307 2829557.643 1056944.871 2318245.602 2508853.274 207573.1722 1228955.386 400954.621 388239.918 5789490.852 2708485.876 1812230.479 209402.3514 491700.8411 467781.6699 268674.7355 1364547.067 1047115.294 1247797.396 4317839.437 3070060.431 1206741.733 1420907.422 194484.9716 4689325.406 1161078.9 1708550.622 1069293.416 2334823.672 615741.234 2454934.926 835637.1225 328244.4834 265809.8217 450556.624 2377045.11 2601250.748 2831683.13 1132121.546 175324.0159 1802267.012 241899.9935 1776102.882 462582.9653 722429.6303 523995.2497 1606696.057 352149.1377 alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) 11.698 4846212.649 249.2065 2930234.961 2760636.735 2212480.487 2564723.7 4080567.8 2608590.015 2225673.573 2289816.787 3070886.662 3388358.56 4947802.92 2711481.264 4390271.537 4891137.638 4188069.135 2786799.218 2783117.408 3187552.886 3136326.349 2894723.212 3019788.64 25625142.47 2944495.134 4826954.325 2256020.6 2322691.996 3009022.046 2895994.32 6108237.135 2188944.377 3728428.28 384843.111 2828570.5 2212974.236 2880080.517 2108701.509 3578893.257 4417462.05 3126493.687 1466875.528 2664346.429 2531164.82 2244142.544 2489019.061 4273869.313 3319194.156 3215211.394 2238354.815 3007878.427 3112754.502 3594787.797 2736101.837 3441000.162 Alternaroside A 15.438 23122947.16 768.5637 17740297.87 947962.0705 213130.3011 2057700.272 9954280.855 430024.5063 7011692.324 23782652.57 167693.4594 8465014.372 16562556.47 7169951.329 350793.6133 224579.538 190907.645 12473881.35 2627316.148 1686017.885 6758147.909 1063673.852 2556732.406 219784.3709 12433099.7 1845003.011 4548735.644 17593831.9 10396383.18 10159164.71 19219774.63 10824781.78 1589857.438 9752403.285 210779.6233 12824373.97 3713858.044 14252116.03 5007143.715 302406.8513 1004225.556 295645.1848 11756132.75 199007.5551 1102217.169 12438569.38 22053964.42 764375.7301 27397607.4 8278238.091 16864242.96 3263684.873 6531632.399 6439029.823 6981004.422 Aminoadipic acid Aminoadipic acid 1.823 4159008.904 162.0763 5154148.607 3138717.531 2573249.764 2663235.05 4284726.146 2407997.836 1871470.405 7646851.056 3296632.096 4859173.519 5323806.084 4116282.594 2342229.064 3579076.871 3269499.329 7264038.398 2338281.866 3825531.185 5362187.061 4007732.57 4131286.861 2859574.982 5057468.896 10806798.52 3501862.531 8187685.477 48513754.27 10359676.88 9294804.471 5870700.876 41527995.55 4220177.122 9614152.327 4773053.126 49848397.75 5016957.831 4119054.925 4043559.216 3052943.008 3372795.512 9033789.577 3502267.817 8644025.822 4514371.18 4288001.95 3543543.569 7086039.374 64483986.21 5873230.569 3052286.53 3554357.711 3960871.618 3197332.657 Anhydromicromonal 14.439 1562370.546 567.4211 6675614.826 4658424.847 73296914.57 50194366.26 618796.2715 36161575.26 66034644.47 31194698.15 54193980.87 49708107.79 297240.3466 27397083.17 325612.5036 5248843.489 42375349.51 43815349.07 19809249.11 7617173.632 14730966.08 16012553.75 3127932.794 20939487.04 15489863.58 22085184.81 45987405.15 42118997.62 22003405.58 31386088.42 1693076.151 51185812.71 32222756.07 42630424.85 30410845.09 64964782.25 2190794.29 37333415.88 1014705.378 557626.0695 479019.1979 823728.8168 22138153.77 50065132.53 29497017.62 31491916.56 2908788.857 26158478.42 14022773.21 33746852.27 12294485.43 23035432.36 13762400.95 32358923.52 13431751.37 Antcamphorol H 14.312 34779483.18 427.3577 18897968.86 7902467.018 3089282.832 3090044.413 10625770 1883412.051 8056400.94 7486667.931 3839501.558 1027234.065 51582533.43 16658867.62 572200.5451 749674.195 9656086.293 2272729.259 2510880.397 601470.9361 26945336.45 3884586.844 75734828.79 6624399.172 5373364.53 4211072.754 7582765.084 754327.98 31194355.69 20420251.11 27318070.44 20950772.84 364963.4613 2042445.999 6835546.228 761815.908 51688086.34 536210.274 16805077.22 950811.922 46389397.11 10180001.05 35000730.76 586406.4536 804763.5147 17888353.47 38562222.15 10598828.85 17142873.8 14863584.97 13252018.22 8616250.471 18397297.77 810630.1958 5195469.114 arg-lys-lys-ala 15.25 158366.6754 502.346 128709.8355 150126.4246 2665656.556 1423024.787 177148.4732 1950226.22 1342904.092 251635.322 1624676.055 1795816.208 179306.0309 409489.0646 189141.2925 178464.6692 1355478.811 1054146.721 2283585.994 151475.575 457725.7114 445785.4513 422978.7591 3084145.276 798495.1626 854622.744 2568544.034 1605873.937 905654.0422 779645.8596 194244.7339 2259358.042 682487.8874 882537.8884 361510.0614 793327.263 689685.3697 1008734.7 106323.9509 380335.0574 228920.6895 156866.2305 1046876.922 1783260.394 812393.5783 788594.246 165311.488 754541.8021 152960.8518 880528.0409 119882.4532 137210.632 154984.8663 144008.9751 142703.5149 Arigsugacin I 15.288 136360.7207 471.239 95105.7725 429570.3129 5804050.005 3329488.732 120475.8275 2736237.72 4960496.043 2200942.591 2749414.916 2949900.122 84480.2122 2300509.317 101653.5011 131870.4214 6467779.402 6828062.873 1993094.288 147742.0643 591772.0389 889451.9509 503847.2762 2802662.499 1491502.619 734674.0225 2585623.391 1738800.689 1969637.096 3290831.558 143530.5656 1926593.608 3163677.052 3349418.95 1816381.732 2967705.945 1098950.985 3808606.298 78564.4815 281035.7058 406412.1652 314445.1574 2173572.496 3223332.134 760887.2315 1479810.617 196832.9507 3039585.167 647479.1597 1913851.233 243667.4457 912162.8827 778195.7036 1096317.872 418080.6256 Astaxanthin Astaxanthin 15.27 157464.1793 597.3953 449673.1606 960010.4026 10187256.15 6726377.029 176138.9439 4745369.45 3755306.262 2270087.605 3016300.205 3216127.949 781261.8542 2223097.16 188063.4188 645334.6729 2977645.672 2423211.515 8436546.215 845463.4803 2628522.325 3302967.841 2861002.171 10008174.6 3031514.795 3066216.523 2603280.981 2605973.344 2533958.69 3349867.278 193137.7769 2453768.805 1486050.512 2237936.886 967045.9317 2385782.043 1049352.856 2014481.181 105718.0346 378167.6135 1648307.173 1574530.91 4510322.721 5386826.769 667788.5541 618237.0341 455204.1374 3901454.953 1318473.863 438310.8233 119199.2701 474353.6347 863158.5048 714864.6355 556328.4835 Benzyl 2-pyridinylmethyl ([(2S_3S_4S)-3-hydroxy-1_5-diphenyl-2_4-pentanediyl]bis{imino[(2S)-3-methyl-1-oxo-1_2-butanediyl]})biscarbamate 12.435 142106.9131 736.3696 1319309.732 1650223.628 149268.7592 81724.3486 145433.7471 83053.8115 143326.1781 437654.4386 91945.3682 93179.1028 140178.1444 1030797.699 157663.0202 130196.7137 86549.7521 85593.3538 1456058.866 125443.3702 197494.8523 1266435.275 1027447.812 506151.3284 462782.3596 320460.0247 476338.4987 680018.3756 356019.3253 89695.4307 3208955.823 2442538.256 92796.3507 85148.8905 2291655.236 81803.1141 98804.886 81729.13 120093.003 139314.136 208912.2746 713754.2838 505799.1459 94755.5717 2156640.855 2584952.759 893651.9193 436874.2738 108297.0066 963327.6593 108726.9814 1374296.472 395000.6562 99024.1565 115101.4165 Benzyl ethyl ketone 11.782 7000405.351 149.0964 5631858.024 4314932.966 4308111.59 3907204.71 6573629.524 4024197.479 3681646.088 9544072.914 5828105.375 3620934.742 6814451.864 8129988.253 5444371.271 5710560.724 3971073.067 7142982.036 31591407.9 4794228.307 4670639.822 5109055.597 5617074.852 3271450.225 9590494.877 7258980.483 2864438.704 2682791.143 5638027.398 9479552.792 6643775.732 10198219.19 11406775.34 1780390.85 5897900.839 13963971.81 21111740.33 3011485.291 5853657.821 5858651.066 4701200.924 5133436.792 12723968.44 11087152.55 9511010.608 4288463.252 7453526.937 7348438.416 5573272.437 5716340.07 3710359.732 3866974.481 5876268.815 4296771.237 5564615.518 Benzyl sulfoxide 8.887 23674.9543 229.0699 29818.5472 52271.9115 375605.5968 399508.9208 22603.3429 422475.2584 260164.9921 117712.5608 404208.605 473286.6682 21984.7481 140107.6456 24869.3637 21199.9842 498777.3903 526248.2843 377588.2987 48036.3255 63473.6543 80000.4414 71256.1235 364276.8104 260416.7678 128095.2537 578326.5835 40168.1331 255753.893 410985.2776 21800.6617 440684.7586 207124.6058 234865.9962 250534.67 13810.8825 127270.7933 303591.9751 19515.6702 22063.8031 65411.2866 59450.0729 293278.5524 437336.4737 307672.0147 272008.0328 20637.4082 342030.4147 77985.9482 361472.2363 18201.4823 21144.53 62317.4848 45464.5115 18791.3848 Beta-Cryptoeutreptiellanone 14.894 394574.4894 581.4005 2116210.582 2516338.574 25730079.91 19481138.89 435632.1067 11024459.71 17130266.77 6723963.017 10238275.62 10877274.55 400324.8704 6940883.122 531133.9882 1047410.443 11835461.25 10023791.25 14803377.45 1983424.56 3969267.413 4538678.738 736221.2546 14044551.58 5177202.274 7288480.896 12559177.3 12178963.56 7336587.079 8129349.109 386875.537 10191543.82 7069148.589 12752306.34 4785221.072 22602884.71 1742598.145 9708020.187 353635.7116 476248.1464 3110554.032 995208.7276 6807463.438 10194064.06 5342437.688 9700776.957 423963.0842 6081113.309 6008600.102 6943380.027 3097797.255 3936927.217 2740633.127 6842829.173 1140860.298 Bis(4-sec-butylphenyl) (2_4_4-trimethylpentyl)phosphonate 15.249 1558799.004 459.3034 4434281.423 5920858.41 37272216.92 24545530.63 1905649.406 21144233.57 18929287.76 8670259.022 25245657.76 27842375.85 4280432.596 9709994.718 1579826.324 5113354.263 21141141.53 18479014.19 29798944.87 3998959.724 7680896.89 9876608.508 9150561.652 32486220.81 12851978.88 13569469.29 29124225.48 21291574.04 13451470.27 15413256.86 10115477.91 25634404.02 14489577.62 17105473.86 8662977.906 13860215.56 11641890.38 18511551.85 8233255.578 4778083.897 5221360.158 6802785.058 14927737.01 26373636.34 11480736.86 12507574.78 21619361.12 12786583.81 5438106.666 13026279.77 2473602.596 1771329.136 3958733.054 1383082.627 3700928.057 Callyspongenol A 14.082 435721.3595 309.222 323997.9464 2249666.405 3032120.422 2240250.555 366227.0203 3184488.766 2755837.18 544703.9942 2383059.444 617494.9941 527674.6586 613787.0916 408401.8591 360540.1151 2470672.034 2533188.017 1774838.708 317895.8933 314218.5983 297880.5153 375681.7055 1203626.811 1169213.003 508690.6017 4153915.415 2577389.457 932025.8971 1937804.538 416673.2089 3447354.946 18526032.17 1448288.143 1150279.465 3747767.466 1464199.082 1440985.802 403573.4825 381941.5857 566408.6837 331997.3143 2214584.735 2407212.51 1079913.769 1078087.619 403195.04 1292873.302 341726.6087 1375452.787 289376.913 286041.6012 363049.7672 275720.3059 404872.6362 Cer(d18:0/13:0) Cer 18:0;O2/13:0 15.84 15218919.47 498.4895 2996107.382 6801321.387 4158400.499 2629007.378 19441190.85 4343691.744 636108.7548 695586.8618 2175284.889 6114737.75 5557829.174 1681925.799 1157974.676 1047235.035 1594498.559 849967.6212 5483920.607 930540.835 6249324.333 5177474.167 4531416.722 1181574.253 11965712 3193507.254 1658007.411 593126.8105 5216864.574 1513975.826 2109078.144 881739.9847 699760.2565 738776.604 857233.5857 1080336.462 3696228.886 712953.9856 1923390.695 1818886.637 878026.0952 8708572.919 1740468.609 746145.5004 578982.7291 6903673.502 1380269.237 7418181.422 1342504.986 3700194.875 930769.7191 758918.9782 999606.5761 726238.897 12657186.23 Cer(d18:1/17:0) Cer 18:1;O2/17:0 15.915 54602461.09 552.5365 3718124.836 980746.1544 4834525.263 4847302.352 8100894.974 1847961.129 2808811.777 15405936.38 9239063.038 90271595.48 5749049.985 5247938.632 2411065.265 1216326.591 20739657.45 125226225.1 15247101.72 1080790.39 8638818.861 1421852.15 8500271.526 3172040.254 93514477.67 1227385.971 4359620.415 5508432.644 47554042.44 31409676.1 249869777.9 3858732.176 904504.824 2520851.739 11319990.27 26545430.86 11287724.39 2023966.451 2232851.162 2885461.544 20242465.21 15105327.18 61058597.23 926268.4793 4815614.898 3543416.265 57122628.98 10174008.76 62168612.76 2722650.021 4833284.682 881457.6509 11187986.57 876584.0581 7454964.751 CerPE(d14:1(4E)/24:0(2OH)) 14.545 663462429.9 733.5825 382041982.8 345060875.4 17088841.69 350656437.9 163348948.8 364584837 44947826.51 109469262.3 100659337.8 83111183.96 12342280.86 180601659.9 1578253.331 906492.463 19241400.91 783988823.2 10919340.28 2561276.778 66744425.89 54615467.4 1238708571 1097302893 14064382.51 155903177.1 452897798.5 176060918.3 250461577.2 658237079.6 18470580.61 149163134.3 3887046.107 36103164.3 622744965.8 631905869 1294748711 27820431.42 179977163.9 205379002 107060542.5 989064785.2 242454729.7 291159748 469716235.4 512973994.8 343557025.5 319659008.5 19634896.26 377750755.8 259274534.4 333444794.4 314929730.3 367688058.4 711663561.5 Cholesteryl acetate Cholesteryl acetate 14.679 2304531.954 429.3738 1737604.394 7902467.018 1424377.109 440228.3982 1499457.189 717992.1853 1039543.67 1538673.576 904364.4122 894048.9703 2031114.051 1702939.588 5077703.105 2053097.692 963184.4061 1162935.459 12768851.78 2126764.351 1469811.66 1299460.338 3326157.085 6624399.172 1146671.461 673317.8519 937281.0274 1705446.918 1523161.453 1008914.919 2446269.749 1692201.936 1533135.187 922224.8408 1064847.463 501576.6245 1122224.555 974556.7651 1322789.203 1185308.969 1443613.621 1284388.095 1972419.22 537885.2858 1239240.566 1781843.366 2275942.758 1567579.184 1631131.159 1208957.104 1313653.686 1722572.613 1842510.68 1236692.701 1486529.342 Chromoionophore I 14.478 502706.5076 584.4227 1209410.457 1132557.742 4014394.726 5990920.45 485083.9624 8073025.742 14847075.81 3243284.519 25343787.19 24663065.36 487846.685 7636677.582 626054.3593 893710.9525 8023303.962 3891810.952 5543838.102 562083.6339 1340824.712 1181473.59 602311.5255 3350217.998 7829872.407 1434912.237 27077849.57 3158183.516 5252207.43 4424508.489 453304.7219 14734505.44 3080226.57 6295558.931 14858927.8 30069030.49 540552.3601 15384367.74 523243.0262 496678.4267 452842.9246 473160.0929 9781210.434 6458773.981 13082239.15 3218658.796 472130.0651 7177089.924 7001376.472 9613372.401 3165813.885 10320071.74 3141281.356 10334528.94 1541401.721 cis-4-(2-Methyl-2-propanyl)-1-{[(4aR_9aR)-5-(methylsulfonyl)decahydro-1H-pyrido[3_2-b]azepin-1-yl]methyl}cyclohexanol 14.252 359177.7826 401.2851 301110.5154 293903.9622 4876783.936 6459485.813 394892.4649 4033217.565 5058605.066 2689485.542 3387199.957 6538346.407 471578.5093 1651374.811 428365.1883 361691.4705 7675556.39 5813450.576 1626809.906 368496.0984 1241255.799 1591850.26 409294.856 1295710.571 1112897.076 3023283.793 4323772.276 2895820.453 1567600.979 1995161.803 437948.9513 10954598.43 1687368.35 6123389.795 3481107.508 12461196.93 4548226.666 5864649.373 419220.1457 500591.7688 336124.9711 331137.4252 3432372.76 6025817.758 4954871.832 1902192.285 432202.5639 1252679.194 505121.6494 2183188.808 316168.877 1228796.091 672224.5891 2135082.798 503222.8812 cis- and trans-L-Mercapto-p-menthan-3-one 10.831 114550.2332 187.1155 260952.8276 362329.6768 5828516.537 1866609.616 87705.8107 1572693.078 6341075.675 731660.0736 1405106.192 1572787.241 76098.2121 2641063.295 106540.7464 770171.443 3074807.526 1049443.198 1922170.749 594324.0491 559840.998 1079389.528 430648.941 2073519.16 2475858.061 1310564.802 5723865.003 1533284.098 870994.2614 4383976.744 102292.0533 4698322.429 897050.6349 3414133.944 3872416.107 6305513.723 531565.0517 3561767.189 76443.7331 176126.8283 197179.5056 394523.676 4064995.614 6108415.293 1104771.328 2929010.081 205531.6621 4887164.821 289353.2883 3090740.235 544562.5861 1312436.547 628211.0391 1824323.333 723425.4032 Civetic acid 8Z-Heptadecenoic acid 14.428 1487204.639 853.7281 10370640.81 8457143.104 1787198.447 1074195.21 5617461.159 7620464.587 2579824.046 9286034.395 4643687.685 7413692.722 5829786.702 6548739.125 35312403.39 8434229.819 1284471.193 1868170.148 1020815.381 8194402.729 8312944.604 10953649.44 826976.2902 1469393.703 2851968.165 4592824.335 2224260.113 3912962.531 3203934.628 1549887.506 3917683.807 4536088.776 10267265.12 7468639.014 2863774.623 1302386.243 433486.2368 6661751.178 5047007.023 6041963.677 1468429.053 2120113.655 1693835.081 3333250.649 6402488.787 5829644.128 2877716.828 2321688.803 3720821.949 9670926.978 8169694.375 7808944.644 4056319.288 7015110.772 5474661.255 Coffeasterene 15.156 13095697.71 439.3947 4753730.811 1086050.346 1296556.03 6543762.825 2598940.676 948562.8191 1670455.956 7170335.227 208509.0153 13172490.02 19136473.62 3300666.259 378340.3613 354148.223 828845.1556 10527805.23 8429748.076 897174.5473 9671697.367 2618969.473 6243752.641 1289778.515 14796667.76 2816834.03 1821778.039 7836079.96 8714700.17 5707734.809 15663424.29 4129423.457 711456.0171 1948885.297 1715092.973 6757526.112 462324.3799 2478800.15 6284934.618 405819.7716 3429054.817 1650216.066 10636608.14 203268.7788 4220224.075 3973524.433 12677182.45 843750.1052 17070507.73 2948263.51 3997780.282 940371.9255 4447842.027 1663214.547 2666894.942 Crustaxanthin 14.859 194238.3211 601.4265 1524726.829 1869529.523 6364747.317 3372676.755 187074.6496 11950189.7 30351464.75 10333947.95 11262792.53 10572693.58 210747.5704 11010811.13 279610.9006 1755704.015 14615832.2 12557276.29 741674.5244 2284017.042 4670829.928 6619228.522 387577.3206 1101014.188 3373622.129 5919021.825 23167188.27 16563737.14 4503041.633 6274322.009 192227.8436 19389926.25 11473893.79 15957368.25 13143658.58 24372409.98 393073.5139 13039495.08 186168.466 220832.9087 182412.9175 210431.0316 8850223.192 17104522.35 10221875.12 14525102.18 559346.8049 10400211.55 6086272.202 15237776.56 4148891.511 7955044.717 6894913.47 14705955.3 6430787.905 Cyclo(Pro-Phe-Pro-Phe) 13.502 191367.7622 471.239 114168.2537 218308.7498 2827716.646 2270631.148 204833.2368 1490331.406 2672106.799 841008.7881 1718256.38 1687955.323 198421.4935 1105703.485 197336.0864 142674.7513 2907420.631 2538560.157 1424047.105 122305.871 231700.8095 760134.9687 202796.1003 1375517.942 906921.0021 713950.4111 1471733.381 965455.7099 1103323.829 1831266.761 188098.7942 1237333.266 1215838.057 1614681.104 895118.5596 1946001.371 417359.9538 2149124.6 214468.0422 171733.1697 167178.4845 167934.2186 1456353.458 2006072.562 861583.0944 718196.928 208990.298 1614427.671 397836.2734 1041727.285 167509.4459 276259.2504 335846.7173 241344.1535 181110.3966 Deepoxyuriolide 13.896 865816.6356 599.4111 1002443.44 1783839.381 31585562.85 26280513.49 764794.8501 10970942.27 17767011.74 9266915.065 16971309.72 18992110.48 1039625.669 9937096.35 925634.2728 1361514.033 14161551.52 15550869.42 11713152.03 923622.1492 4594801.75 4658965.412 1016079.205 5738040.46 7186825.447 9136910.838 21666436.81 15910332.69 7823645.099 12964614.05 773881.9223 17325815.64 8586141.837 17991370.52 9613291.303 31144347.36 2884767.963 15439336.47 848893.0089 1046618.232 1115939.523 1628922.8 8919427.728 17252377.55 13985615.12 11616277.69 845092.91 11904250.46 3340054.099 12043848.1 1562668.919 6491650.948 3198171.259 8466223.751 3405114.243 Dendrodolide K 10.019 11906489.34 245.138 23524378.12 39329574.71 8093051.099 8231164.441 21207146.61 14718015.49 24948381.56 11432640.86 23777155.56 15739988.48 23621637.25 31904566.06 6710020.42 16441755.01 20162261.89 10281529.23 88356892.31 9065013.968 19471589.4 23320685.16 14707467.44 54899278.25 9366257.469 20062616.03 11329472.1 24488890.53 18753193.91 18783533.03 18329123.78 20388892.38 8920240.941 13255939.07 21586880.04 15500337.12 62013235.36 19341611.94 19975103.58 19192052.27 10628561.76 69633497.12 14462902.53 11062631.7 14490101.19 27347373.81 19736320.04 9902683.235 35607132.27 22791770.42 11564060.72 23933742.56 17553322.4 19789354.72 13348169.44 DG(12:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)/0:0)[iso2] "DG 12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0" 14.411 6527870.897 585.4528 2308628.51 282264.2436 301377.393 83478730.99 563741.6516 654225.6716 821429.4793 6696504.201 307672.1367 12130637.81 16624892.14 1960018.557 977939.2223 293953.8674 331811.4932 10289780.21 67974509.4 843934.9613 3530941.338 1099843.327 56574426.74 8524173.918 11168811.71 1762420.453 1843986.24 4641698.894 6984593.389 6279478.996 15858583.78 3974196.961 914951.6593 2293794.489 266860.6394 4575113.406 58185769.6 2554175.312 3312119.183 336904.4513 17673042.43 7702728.038 7079709.079 368955.9976 3378209.852 1844587.47 7888815.868 681667.277 7955950.546 1077660.105 3598686.198 257227.8786 699000.86 430947.7672 473557.3737 DG(14:0/0:0/20:5n3) 16.306 228877.4846 587.4642 2426735.303 1264711.991 18546665.71 28198055.02 259887.3776 4361298.512 834784.7626 4507549.311 8945693.535 8483307.03 253705.801 2863779.76 295804.422 1552080.95 1714468.589 13958762.42 21639781.44 3645936.151 7078506.904 3088219.212 135072.2683 16113664 12826129.53 1639929.455 8872364.083 4948661.635 8464057.065 4777793.167 395119.701 7627357.173 4097018.313 281466.4461 571491.8896 12047963.43 8210035.231 797938.8043 1178274.996 640132.6881 4709127.475 6833558.28 13598645.52 7151585.723 17889384.16 4886023.695 2692938.265 13400027.59 2676034.495 13471129.07 5860583.249 3436884.626 8535353.135 3784330.356 4681522.461 DG(14:0/0:0/22:6n3) 16.651 443455.3302 613.4842 379320.2258 414908.8916 2777129.671 10165607.76 231484.5532 3212972.467 7770289.45 4359080.422 10594930.86 12123718.94 2568719.483 3724478.998 281857.9519 1279046.051 9467091.728 10911316.87 6644509.528 1867223.877 625777.4388 541226.8538 13147668.13 991845.0313 4067556.31 865000.1889 14650849.04 11433137.18 3501464.601 4523916.86 1681372.677 13504817.27 540264.9692 7167121.507 7659643.893 11390020.22 8040451.606 9286023.161 876853.8464 321078.857 2284760.141 1524797.456 4545250.228 4633915.955 7564254.407 11161897.61 2290906.933 3567880.409 3375964.196 16303590.66 3478220.904 5960971.852 2867897.164 8457657.323 2415761.964 DG(16:0/0:0/20:5n3) 15.951 2603520.529 615.4999 9591718.828 801449.7332 2797686.574 808824.9305 2848652.635 547310.6937 4925515.917 9451409.613 314985.7117 7057707.025 3940124.234 4311603.2 372161.3322 982452.7924 4352205.524 7108693.22 13503924.55 2305809.384 2269458.875 2145248.802 12683574.87 8011071.527 8467194.44 714589.1732 2972976.299 11862281.45 3249826.25 3298337.754 11635125.44 7433904.27 1951371.391 6906179.72 2065665.892 10446085.46 1129882.62 8031233.3 1471303.084 1394112.32 8448588.871 3415189.149 4844427.338 418408.0091 4095074.212 6593703.661 6314181.766 2562611.483 31367637.99 6101355.734 11921207.79 3227575.98 3505616.671 4850808.134 2931880.38 DG(18:0/18:4(6Z_9Z_12Z_15Z)/0:0) "DG 18:0/18:4(6Z,9Z,12Z,15Z)/0:0*" 16.187 8444491.682 617.5155 7913382.273 913273.8158 750132.5834 2403117.477 3729162.016 779456.8635 2460930.722 5189262.349 760795.4844 4882746.245 2305329.113 2516999.924 811903.31 1114434.705 385784.6364 3849983.141 546242.6296 2484679.528 2390235.311 1143778.277 5176328.587 997377.9036 3388282.751 347322.7769 1486713.606 5181468.354 2387803.884 1377075.895 4226557.233 3913767.188 2718385.662 4747630.987 792960.2965 5565418.019 4161790.131 5434923.972 1624876.141 1183437.139 878272.9213 2731170.454 2894013.488 1488730.227 7701188.877 3366192.479 4211770.451 1791960.312 15838783.08 5114805.022 8392120.76 2295571.871 4473442.109 3195871.339 2931880.38 DG(18:2(9Z_12Z)/18:0/0:0) "DG 18:2(9Z,12Z)/18:0/0:0" 14.337 6444360.546 621.5469 5869083.619 2882888.856 2492496.426 393346.9716 10944360.26 2480784.569 4207379.353 629438.4068 3126932.558 1666659.23 6842219.24 2836844.689 585483.2088 487004.9742 353403.0084 445545.6732 2740550.133 519764.5985 420537.2764 604230.8622 551101.2756 6906672.44 1130284.014 1150375.901 1856134.432 4311511.898 416698.5506 4327379.099 5449456.057 1649921.984 417688.7831 355631.8617 622560.0533 5028882.301 6256470.26 329272.1732 6973861.814 2388177.076 5561166.445 1280609.098 5199350.478 3018606.556 1582958.878 7874358.043 6167788.144 925435.9506 5588735.662 3961859.466 424293.3928 3278236.4 832352.9337 4341575.679 4852051.9 DG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/14:0/0:0) "DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0*" 14.2 3011879.06 613.4845 28881851.18 891502.367 261448.9198 1951910.6 12970844.79 384563.4404 9993647.832 17181619.23 225864.5182 16446724.11 9264808.537 9799819.709 343283.6566 292214.7096 191896.6349 16968176.96 2090632.848 1570470.484 4156324.407 575458.0576 284097.5536 438935.4639 15921985.6 1408298.847 5149155.681 19308273.77 11337689.76 13081118.35 33303877.71 29550687.12 1633553.06 10916596.44 209852.1115 31134917.15 3644861.729 22575784.15 10143660.33 317947.5089 269364.1134 265367.1897 6015894.593 276677.0038 18509208.98 12475235.33 4740300.52 200500.9093 54206652.82 11252867.3 33638071.59 3992452.994 3918397.957 7473580.429 9259612.205 DG(8:0/13:0/0:0) DG 8:0/13:0/0:0 15.03 265500.5176 415.343 1053719.14 1249514.279 13388700.98 9271612.497 215192.8557 8450226.057 9845483.472 4541174.324 8162245.681 8716889.805 448006.4326 4797210.269 1009670.483 970555.3346 10974963.92 8408934.481 7089353.766 1188806.888 2512419.048 3226903.161 1405806.048 5955297.435 5450192.975 4365155.284 9179385.346 6356157.687 6321335.53 8111403.252 221270.1545 7196820.433 7261588.83 9301510.66 5122852.898 12273885.91 2878693.761 8073176.971 357944.7424 394096.4323 1566421.398 1906147.6 8684652.053 10511313.78 1681939.41 3922020.931 346723.1629 7711414.715 2333240.226 4267280.127 1177658.207 2311547.311 1763807.169 4061151.472 2209321.952 DGTS(16:0/18:3(6Z_9Z_12Z)) 14.806 640194292.7 734.5944 428686503.4 397726805.4 18531362.65 350656437.9 163558985 365282228.6 51496184.81 117289417.7 97906921.39 79914473 12628122.66 197566511.4 1626872.504 934890.04 10602644.99 788615960.6 2796769.429 2561276.778 66744425.89 70883777.28 1293531882 51237706.12 4631049.047 99910269.87 452923992.9 173233952.5 250461577.2 587178725.4 10981535.51 163557441.7 4376579.912 36158436.48 654089810.9 602087364.3 1212658089 31719516.81 179977163.9 235163281.1 109086649.5 974070331.8 251821593.7 271137187.8 705075992.1 481089549.4 353055999.3 156078282 10201332.69 378872010.8 254038648.4 336814832.3 311081821.9 367622430.2 676919882.2 Di-2-pentanyl phenylphosphonate 12.866 165295.2268 299.1777 182826.6008 268102.6886 9524273.248 8160198.716 284032.0925 2668392.486 7392229.713 3123218.274 4972322.113 5863663.752 158791.5078 3275723.484 270321.4687 791611.3703 4318446.944 3732815.337 6061297.716 779392.7498 1730343.282 3084304.546 1131300.39 6335487.772 2498922.454 3627528.178 6778727.036 4850690.141 2977661.54 4080965.159 248878.1566 5931034.566 2625431.908 3498882.01 2908014.56 5464228.416 1328946.035 3445047.112 218739.2023 286085.3053 898477.2642 844937.7138 5331396.595 6819000.129 3295696.393 2993539.002 252398.4715 4579921.479 610687.4423 3442890.698 178113.3215 143591.9594 376459.6028 177843.2906 596474.0385 Diadinochrome 14.867 260873.1659 583.4161 1995604.808 868348.3914 15012229.99 10543116.64 252158.0836 6637939.22 17130266.77 6048535.203 10727825.73 13694632.72 271893.6698 9205061.817 360736.9411 1047410.443 11835461.25 10023791.25 5088017.355 1100824.625 4334134.573 3539385.243 720608.8076 7470581.305 5177202.274 6747373.058 12559177.3 8273597.597 6877398.995 6885211.566 270117.098 10191543.82 6476541.436 9001941.678 8436357.268 23412727.6 664412.1939 9393268.909 240183.2074 269675.1508 235338.0277 271485.2907 6807463.438 9814104.18 5342437.688 9700776.957 308336.9637 6081113.309 6530251.512 7770039.21 4328335.341 3936927.217 2740633.127 12299367.9 4177859.408 Dichloro{bis[(~2~H_3_)methyl]}silane 1.683 219453.1214 132.9919 443375.3731 600364.42 2581397.714 2411514.313 210266.9346 2379623.339 4054842.422 1366367.852 1588866.615 1800284.177 198477.8368 1461200.887 106790.5894 485626.8509 4127301.921 3197007.523 4085276.599 555519.403 339969.2858 461028.4521 601006.2392 2931697.241 1654913.206 747940.4081 10403143.83 5164923.188 1856459.929 2261018.761 241219.1116 5873137.908 3017943.003 3211300.515 2154060.415 4069113.616 1296533.375 4151695.071 111126.0954 171703.2414 581870.7172 723051.2244 2007172.566 1535970.021 2320300.342 1963293.068 259141.8385 2686962.868 530255.9711 2026330.476 211497.5468 284014.1224 482171.1638 294127.3437 440601.4475 Dieporeticenin 13.21 4958290.103 573.4879 3787358.913 4298406.759 2412142.136 1385664.626 4292754.147 3050301.631 1462791.274 1799537.259 2371474.634 2155732.318 2232085.847 1485237.275 1908140.181 1365981.171 1017304.924 1002040.121 1901923.652 1372981.67 3418862.389 2480153.361 2217809.324 1526234.713 1344139.068 1781424.725 1155624.143 2142117.823 1615155.228 1936911.957 2465166.428 2189013.835 1149765.893 1002959.289 20296071.11 1582680.47 2912683.884 768522.8285 1613714.803 2453681.42 4572852.897 3978006.161 2652592.254 1183160.21 2957451.285 2074625.777 3903738.156 2883068.878 3257641.229 3050605.025 967470.8408 1288626.291 2915414.09 1748706.168 2917634.964 Diethyl {(6-methyl-2-oxo-1_2-dihydro-3-quinolinyl)[(3-methylphenyl)amino]methyl}phosphonate 15.289 131866.929 415.1763 220793.8387 674013.008 7651154.29 4519592.289 116505.5253 3648542.036 5730913.419 2661721.339 3659975.507 3822439.904 81696.1519 2976229.281 98303.492 309171.992 7913679.182 8554553.047 2610100.383 142873.1985 599670.8731 1135631.131 449358.9927 3248352.075 1722334.213 912704.0063 3259910.171 2410206.585 2466756.366 4280186.193 138800.4904 2261186.053 4141449.222 4107648.272 2120183.611 3944182.663 1508957.759 4904752.114 75975.3751 271774.1244 554234.1436 394089.4477 3120052.985 3973801.332 1145384.152 2027127.483 190346.286 4323601.517 729240.8999 2229340.865 399788.2752 950934.1993 748001.7669 1452790.06 445040.3789 DIETHYLENE GLYCOL DINONANOATE 14.089 501358.7602 387.3116 646596.7777 1318656.877 2917587.674 2754078.301 718078.3844 2296445.911 2471682.614 1222353.686 2068398.194 2265118.975 585684.7666 1606041.11 839386.5525 887077.6155 2039114.156 1828852.549 1833833.811 522498.3841 846668.2756 1061563.971 538865.1329 1320776.019 1386694.695 1355968.404 2138864.699 1384833.827 1485727.795 1871612.825 207430.3704 1701970.575 1637819.196 1793009.544 1552917.59 1584405.318 582875.6313 2074516.315 468663.4364 756003.0497 983525.7612 855482.0575 1667603.133 2429830.354 1067116.589 1397838.947 1062242.02 1871926.072 561538.9442 965412.5391 863805.5185 1236211.029 949494.5879 879852.6999 642270.1028 Difluorooxosilane 1.474 1561682.89 80.9611 1126320.056 1084236.13 1474990.255 1299205.158 2665685.959 868660.0063 706733.5112 1444795.223 1775230.019 1266680.045 2503776.8 958013.5832 792773.6764 694910.0443 1054891.788 1598561.626 1455688.039 772470.1564 1108794.555 1220166.685 1565333.542 980139.6233 10745130.24 1096084.615 671750.1795 763323.8865 1800599.548 1760839.378 2472978.5 577472.1239 550469.7652 666155.198 1819082.8 1585990.494 789646.8787 673187.1411 1603447.818 2095089.019 1076036.452 1167165.106 9299975.23 5439134.327 771647.1618 542253.7051 1951631.132 1962372.931 2021438.396 610860.5364 819511.9087 855071.9411 2069078.064 735372.049 2062326.634 DITHIOURACIL 1.695 21147.6443 142.9745 17932.744 61264.3581 428329.0056 1276847.423 21315.3289 445733.5112 243130.203 102826.8632 388323.9423 637847.6248 20415.0267 101029.5521 23996.4445 39556.189 468439.6496 344626.6083 515994.1715 51223.0076 165909.5445 116952.6529 140669.3519 482939.6428 260909.3333 378906.1036 467810.6333 345978.7587 318816.7647 254123.0133 20588.1626 444933.3048 305942.0755 524194.421 337826.3632 272624.6521 378106.6485 529034.0533 18357.1686 20579.2637 137693.5568 150928.7015 489732.9045 683370.2742 429464.5912 120038.9629 19006.466 451469.3892 53615.9059 477236.7405 16466.8578 71348.6015 48169.7112 104656.6407 33485.8783 Dixylyl disulphide 10.681 21749.3197 273.079 41742.6892 55603.2947 101445.1935 77345.0076 22616.352 330471.6871 98230.5848 34960.5642 181148.6692 178562.2228 21219.7629 40993.4992 24608.5449 20191.7483 236435.6103 236845.3596 171652.5476 18945.3336 15429.6879 24455.3667 33513.9965 188261.6804 260674.9831 28611.7264 384812.1092 257627.367 283688.0111 469959.9909 21394.5673 330845.5661 97355.0338 135240.8086 113428.2091 195790.3972 145853.8837 154798.2448 19045.5043 21732.6643 73234.4215 71818.5204 227809.9103 228450.8374 241188.2208 221388.3273 21035.6365 252449.2162 16667.7248 233248.1873 16361.6843 16499.6268 17878.7776 15758.907 17560.8507 Dodecyl gallate Dodecyl gallate 12.394 178101.8139 339.2173 268872.2349 208951.7067 3581072.45 3547798.134 337867.7442 1245528.5 1126270.638 1408165.048 2488373.52 2014320.157 449112.1537 907706.0281 564464.5461 566718.3603 1347063.141 1451479.146 2883409.24 299058.4457 422027.8676 1172713.592 542474.7249 2629932.974 1810967.972 2020335.398 1347518.531 1578987.962 881430.3296 2245884.925 243785.6689 2600520.884 1215121.482 1646477.884 1972777.418 3977476.351 1341181.232 1339969.714 206523.3674 318394.4508 641958.9207 560618.1567 3339369.652 3235684.491 569019.9165 973255.4929 377523.187 3066965.458 581582.8153 1004206.792 217750.9003 793640.0585 904732.5406 739307.6553 264727.8424 DSPACER CEP 15.875 171502.9894 621.3088 493465.7289 358103.3386 7615773.297 6551499.401 232776.0438 3670787.964 19172793.95 8042406.646 9146635.984 13351962.5 345926.6858 7026476.142 227951.6833 1717148.839 20168031.9 17357410.64 3264500.067 1783498.932 482979.6394 898857.8225 477237.8331 2925590.518 1750766.135 775781.2553 9030343.832 6979125.457 1703358.311 2267798.617 686339.2294 8804781.235 6801850.687 7894878.122 11088121.72 16099848.99 1055947.214 8080187.609 195415.5344 297321.5004 203273.7638 224230.1707 1275473.574 2805645.253 2346487.046 3572692.171 159990.9026 930558.107 910002.5685 4328343.089 1414393.346 2540632.968 537727.4443 4624532.436 403542.0728 (E)-N~5~-(Amino{[(4-methylphenyl)sulfonyl]amino}methylene)-N~2~-[(benzyloxy)carbonyl]-L-ornithine 12.051 564600.9476 463.166 330152.6142 1275582.443 5893814.359 7042562.967 976274.4481 1574600.691 1622974.506 630700.0666 331978.8295 483103.6859 396594.7488 494595.2113 700435.4414 600660.4372 5051495.721 4755214.798 986216.512 324619.8669 414144.7686 468685.5284 370102.5164 1001867.407 1013453.702 1301892.814 334914.4738 289238.1406 1846162.703 3091871.257 814388.8737 357604.7878 792131.8497 1585562.204 267102.0736 602078.6109 981057.6958 1300278.274 926036.3696 359822.7204 416725.5053 951477.9541 915884.4501 1137408.993 326823.8215 237134.441 577833.6683 1169920.681 1068559.381 327187.7107 825353.8967 245681.1168 478615.113 266008.5711 555819.2308 Ethene_ 1_2-dicyclohexyl-1_2-diphenyl- 14.45 238641.6964 345.2586 210171.4231 211684.2077 3949158.212 3035186.75 233532.115 1623496.003 3831593.414 1154274.933 2894151.697 1565427.796 248168.9273 1505358.517 249010.3105 191550.7783 2082073.247 2234562.968 834732.6376 204233.1605 494215.6263 481314.8163 210737.859 1063653.624 579731.2091 627907.2089 2886067.278 2029745.243 911669.9773 1409406.087 230597.3373 2679285.166 1385875.066 1853486.317 1445951.608 3442437.165 274980.4466 1619520.351 266175.1417 252661.6581 230362.4197 240697.8182 1054508.307 2534000.569 1320453.951 1037406.535 228668.9966 1666270.662 611990.4557 1447126.032 218905.922 757606.3019 407183.5063 1511049.69 685064.8443 Ethyl 5-[(2-naphthylsulfonyl)amino]-2-phenylnaphtho[1_2-b]furan-3-carboxylate 10.731 23830.1635 520.1222 18459.5587 17553.9228 14919.8906 13700.4014 24228.2626 14481.9337 12344.6408 15268.7856 15794.0217 15665.0768 23095.7532 15697.5624 26962.9421 21929.6545 14838.618 14664.3275 22194.6585 20757.9089 16905.9074 17916.0511 17894.3219 20921.2387 14625.8299 17394.7352 12716.2849 13047.6268 15974.8798 14784.6679 23441.4705 12417.5253 15706.3563 14366.6717 14822.5766 13521.054 491608.3412 13898.9496 20732.2652 23620.0473 211936.3045 251038.8333 15134.0254 15306.9383 15317.6841 15048.2963 21843.8037 17564.2653 18293.4586 13927.1962 19026.3982 18078.2116 19707.5787 17266.6242 19466.2684 Ethyl hydrogen [(1s_4s)-dispiro[cyclohexane-1_3′-[1_2_4]trioxolane-5′_2″-tricyclo[3.3.1.1~3_7~]decan]-4-ylmethyl]phosphonate 11.957 3139030.005 387.1941 7504940.747 11707448.35 83678632.21 63259076.45 4252287.358 46332050.99 102139458 45464674.39 153195118 159300366.4 2505956.65 37238300.32 5364674.961 10631503.5 65317710.19 68502314.45 43484163.81 10914932.33 12143100.18 17141610.19 13421367.89 37957806.85 39964461.61 18462557.65 30132868.35 23034976.21 48298043.61 78306639.1 3026170.276 24094735.76 26865458.46 29795578.61 24918092.72 43689064.75 20115775.27 35389933.2 1933183.466 2139340.787 9880665.555 16270243.74 58943844.32 49175835.02 32004354.58 31616623.51 7073716.253 60529517 10601453.27 28685039.79 5908195.376 13991156.6 10702019.79 15658093.84 9976598.929 Ethyl(phenyl)phosphinous chloride 1.645 25470.9827 171.0141 19136.8017 18918.6698 15603.572 14564.7538 25337.0788 23303.6849 47699.834 41839.7322 98894.876 62739.2449 24712.3132 61597.619 28629.53 23456.1165 25394.9763 31608.2726 15008.254 21674.2908 18616.0662 18753.8982 18702.7646 16393.1889 49535.5489 17670.0624 12516.1501 13663.3132 20774.27 43036.3556 23961.4905 13306.4699 16537.211 22156.83 19275.6442 17405.4142 17735.147 28557.0957 21901.4574 24412.9256 19811.1227 21836.1308 113130.2962 68839.2278 38661.608 52635.6176 23226.9243 111231.6437 41234.753 53132.043 19646.1771 18668.5336 45671.4525 27223.6979 29374.3442 Furaltadone Furaltadone 1.579 49168.6026 325.1138 618038.9222 779338.5135 5149358.941 4921063.255 42948.7447 5957269.559 4165055.458 1764157.013 3744874.488 4620532.572 32470.499 1792972.509 43916.332 876172.0906 4222734.555 2881238.256 3477682.625 714379.7028 1953035.295 3265626.412 664182.4638 3730077.95 2773128.857 4606286.453 5532369.024 5592175.26 2530274.88 4113007.379 45457.32 6691372.528 2908367.602 3651006.162 2894796.802 4837661.014 839869.5496 4657916.339 42462.1558 60555.9077 343536.4703 429761.2439 1713599.549 3320996.223 1212144.823 1393319.83 61061.4807 2257750.28 407363.2475 1602609.621 253550.0268 792712.6111 527626.6237 1108095.441 347575.5765 Glycerol 3-phosphate sn-Glycero-3-phosphate 1.483 50704.972 173.0213 105562.8127 110408.1304 3639806.147 3037493.329 59623.7342 981472.9481 813166.6739 222390.0427 1510502.311 1890855.054 43912.8296 287133.5107 43863.4894 76554.8888 1678543.595 1466328.437 3007494.016 56189.0504 418734.3689 771513.179 443589.7833 2741740.576 1195753.85 1019563.747 1070976.562 692107.0634 1126662.98 2222918.022 46909.7506 1039815.956 316974.1832 524690.9986 847168.9675 1704176.053 1202883.946 615034.6894 39083.234 35306.5703 494623.5717 583215.4822 2038182.17 2767656.423 630263.668 561907.2999 52236.8231 2393529.434 441280.2724 814187.5139 108956.7854 265732.6461 499918.1622 393903.7158 410486.2233 Glycerol phenylbutyrate 13.477 355699.9075 531.2756 2433486.479 3124641.312 15464189.51 15448103.09 201657.4492 13296493.28 16272877.32 6585524.539 11809094.74 11438560.92 551577.7723 6949127.273 256882.7441 975077.5128 17047187.18 12077501.84 13294940.51 1176092.835 3992918.882 6249795.709 3185906.446 10276869.26 8654907.734 6425929.445 14118141.21 9102957.816 10077484.79 14743581.37 665182.0203 11260832.48 9522198.178 12129337.37 9237142.648 16472392.27 2349574.866 14274643.11 280450.2774 413071.7349 1435296.602 1457431.314 11798710.13 17467168.6 7249805.824 6542318.995 1702434.567 10802081.2 3485545.818 7316572.113 1503064.419 2649542.64 2685116.794 3406127.207 3046727.797 Glycerophosphocholine sn-Glycero-3-phosphocholine 1.63 69390.5947 258.1107 415279.5557 469542.7149 7647179.391 6797864.188 72342.7627 7707358.92 7411632.394 2127275.536 7713511.32 8810469.237 45783.4446 1618882.86 70097.1474 424400.5589 5428810.722 4050963.032 5610459.775 407198.415 927686.5005 2115361.929 454236.9483 4021916.034 2452752.515 3630039.366 12134252.22 8228965.563 2651300.373 5730231.25 62213.4216 10411704.98 3392285.773 4483793.402 3051743.036 8844158.207 444234.0624 6031156.886 59871.6934 50949.5744 292491.0966 256366.4869 2229065.586 3113849.521 1504577.066 1326427.755 64112.0259 2111965.816 407729.3795 1991314.589 255424.6499 544610.6276 466131.9012 945379.6677 401598.268 Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 1.486 52549.7895 247.0583 965531.9285 1101261.357 24731590.09 20345482.44 61793.0463 7461753.102 6154118.169 1869139.924 10639814.63 12539535.26 45510.5261 2143433.937 45459.3908 802847.6181 12208017.86 10544979.84 21132280.34 667049.7302 4018505.895 6671506.307 3095083.645 19529524.31 8617289.672 7427594.712 8082453.987 5551461.841 8674344.121 15514957.79 48616.4852 8548875.521 2747041.626 4377053.221 6182944.482 13558678.31 9689601.45 5238496.794 40505.2136 403767.5994 3621419.458 4114751.231 14552869.52 22024716.53 5458167.061 4962947.469 679955.4423 16812029.71 3479383.22 5444126.423 1023115.248 2439199.016 3513879.517 3357595.783 3266518.556 Hericene C 17.008 310959.4081 585.453 551887.2793 422934.1355 5875568.433 6386964.386 325875.8322 2837243.781 6420014.88 3753160.471 9965069.902 10152631.18 313141.8273 4423559.534 243365.984 1038072.841 11515843.37 8882385.344 3197729.73 1138152.911 766871.3544 1509124.726 554576.2846 201208.6319 3463177.391 492742.0037 12918477.81 6867949.104 5692631.795 14060618.3 230891.9173 12600703.91 4551369.03 2563487.127 4159947.191 11395571.62 563615.8339 4599090.504 223506.7678 215918.0971 177173.9986 1103351.806 3288799.006 11408348.72 3384755.067 4623058.087 431312.5029 1541018.404 2427434.907 2981601.151 972621.7101 2578974.696 2478027.091 4419352.686 1518894.684 Isoleucyl-Isoleucine Ile-Ile 17.598 1002151.87 245.1865 1077352.109 1004833.336 599879.0671 595995.1002 7407469.259 980601.9827 872618.9978 1042428.305 814412.6997 695407.332 1312703.36 919326.7485 1991751.568 1529428.425 821612.4756 679048.5061 716496.7281 1387832.533 1077996.333 949649.4717 933285.4264 1768587.879 698333.9638 1084579.036 858318.2025 759298.2045 792303.4091 710932.0388 1201544.927 776278.7532 1129197.7 1202137.009 795435.6944 2811156.096 3532540.786 968731.4674 1476905.099 1408344.168 1205403.867 1563639.629 586064.4395 949391.9073 1031715.344 938595.526 1089722.242 749576.3365 710201.1229 963485.528 1034964.808 1324151.132 5205066.241 1015340.008 961488.1712 l-1-oxo-2-butanyl]carbamate" 16.248 27779.0314 791.3636 331401.6334 408336.7706 2863294.98 1865860.788 28396.0346 1577143.961 1938393.563 1295118.092 2439488.327 2018791.794 28033.9738 1107052.618 50602.2235 573304.6373 3147295.481 3293143.815 967776.1044 405303.6806 489055.7979 871496.1616 454506.3655 1547365.012 1077652.111 1200947.084 2276795.7 1909652.207 1181356.966 1585017.206 29441.6187 2141307.127 1657284.216 1501940.632 1404166.306 2606787.091 967992.6521 2756586.488 24563.9205 106725.2544 391282.3147 369970.656 1320456.689 1733332.84 2376149.999 1639844.029 218132.542 2259288.186 739117.1862 1878123.236 624637.356 1227894.404 695837.982 2192170.796 472135.6378 L-Alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanyl-L-alanine 14.277 193531.8219 729.3915 162244.0737 158361.0458 180153.6361 141385.4762 212775.5721 216502.2416 1947175.172 945572.051 151862.9997 181948.3955 254095.4716 959285.303 230811.3123 194886.2447 186522.2755 178295.3516 550068.6815 176764.3967 168287.6663 149868.9593 184529.7105 891028.6233 290290.5169 248749.8203 130142.7813 123843.9635 586978.2486 907002.4483 202898.1307 124827.7277 166646.475 138964.8279 179530.2797 410330.695 2450671.048 120861.3646 193703.5483 269728.3678 230244.3563 189998.7524 380364.5406 186027.4472 138886.4153 139768.8833 191625.1678 464407.8545 182432.3566 133550.8411 169790.7627 163880.4593 165283.0325 132563.5102 152365.1629 Lansiol 14.246 8190256.498 469.4416 1662062.844 3509312.638 502093.4169 1620442.477 1580655.598 1225577.554 354094.683 391029.94 1167366.101 1061300.226 708171.4603 471293.4826 652985.789 547579.9421 379123.0727 3062968.183 574097.6629 579690.2307 490157.6942 522287.7098 3123518.84 2496532.896 447176.3226 1621426.719 1847847.03 425660.0517 5131860.611 5471032.032 657669.8096 470161.1749 464448.5666 391731.9608 4540937.315 6188360.396 6830091.398 367235.2111 773615.9786 828418.6058 504760.3038 2217934.145 2037421.192 874740.16 1642484.458 1840026.673 3167378.418 4646548.463 508444.2771 2258580.952 474792.1522 802247.1434 3392096.435 642111.3308 6962644.792 L-(+)-Arginine Arginine 0.375 8177399.902 175.1191 14729224.94 13448818.9 12896079.77 12222437.16 19874588.61 10863154.13 10111624.73 2615631.368 13620975.26 14056080.48 19033097.6 11692319.49 28459191.23 21645593.63 11485320.02 11585802.85 12764785.98 19225883.22 13331679.63 14292555.16 15588028.58 11665123.55 12680485.91 13261258.52 9723215.803 2249862.689 13257749.94 12683210.92 18952735.62 11301325.01 14674589.77 13303599.02 12114457.47 11404208.3 12995218.75 12806806.3 15038275.12 16935301.77 2229438.138 17941856.4 13436203.18 12578613.44 12277967.54 11667361.8 19314471.87 15677531.8 2345175.623 11303291.38 15780811.88 15477534.44 16819558.31 15623097.97 16124185.46 l)carbamate" 16.364 24919.6161 945.3768 18515.0373 18055.4012 143617.4869 67140.9719 25071.4382 203607.3346 169910.4157 156506.643 177470.3487 198080.9128 24996.2636 87088.184 27172.6133 36922.5291 171341.9731 211906.2839 36533.7475 31350.7888 48603.8264 61302.4508 18047.7842 43332.1804 76310.9272 167525.8014 281303.2761 193313.017 119165.6374 178688.9009 24002.8885 226743.9636 162020.0371 164809.8249 58349.819 191082.864 16899.781 167280.5018 21320.751 25043.7863 18961.5862 21334.1605 114355.357 215537.541 208072.2649 134622.6453 22837.0353 215009.3997 24592.7483 223946.5475 52812.1629 126682.7851 27966.942 229057.8861 29376.9034 leu-leu-arg Leu-Leu-Arg 14.922 195511.1607 401.2851 146968.8186 158274.0654 1358145.802 4999662.072 188979.6501 672509.3496 1345241.331 164942.733 863204.754 1146539.937 197211.737 321610.9665 270353.9777 157522.2162 1253077.267 975724.4079 172467.9632 201725.7553 125662.7596 161709.0981 374746.0134 362363.9005 122771.0199 108278.366 1272435.195 869187.5851 204179.2492 354332.3513 196924.5852 1235865.426 327709.7729 1077854.714 474354.7312 1341732.627 887004.6932 3711132.853 180005.0899 202107.8005 186759.2457 202056.8 398671.97 1036796.053 722977.8768 497800.3282 215802.62 208976.3743 136168.3562 304522.5818 177593.3157 151854.558 523593.5329 397929.4322 189842.2675 L-Histidine Histidine 0.405 3218335.069 156.077 3025936.584 1727040.758 1979167.57 2020164.754 3108629.951 1891418.92 1819531.921 4186434.468 2101995.344 1991455.797 2647343.332 1784982.551 3729244.983 3303487.194 1592684.499 1959219.118 1905396.746 3112807.967 2131129.395 1950070.121 2170638.959 1666011.891 1845266.845 1755311.022 1416987.764 2290768.481 1838487.708 1705926.256 2653853.573 1599862.215 2027215.315 2048059.01 1861327.781 1581384.312 1723714.448 1973256.468 2516595.863 2746751.578 2568684.247 2666690.575 2110160.49 1722589.487 1556380.609 1640114.446 2588755.265 2197524.282 2534752.75 1824305.298 2470794.364 1969544.174 2414453.641 3354613.053 2497716.547 L-Hypoglycin A Hypoglycine A 9.759 1042283.786 142.0867 713952.8355 734532.9217 635757.6836 788544.1335 1090608.489 722827.5898 3355808.504 1690820.74 1313892.501 1516888.456 1018448.684 1843347.7 1124598.167 1173498.594 3111140.396 2291964.266 691247.6244 1060009.974 787170.6773 1066547.615 789289.5117 718756.5247 814280.7945 882370.0865 3341232.417 2454084.491 862529.6333 867917.1134 974910.0514 2908681.531 1482483.322 1652608.905 2544079.335 4473513.521 771286.3235 1972864.953 997064.1487 1193842.533 648781.8981 747730.81 741159.7691 969116.5814 1752453.574 1510343.86 1084723.036 938210.5231 895488.2746 1709726.665 1595207.605 2589200.242 929888.6983 3616815.228 901577.3271 Linalyl propionate Linalyl propionate 11.679 11017615.13 211.1697 1926849.445 1817116.034 2365822.855 4338521.745 56421506.34 1687953.062 1486199.839 1360653.535 5283719.197 1982391.57 8031059.972 5233037.686 8321384.346 2433955.838 5793443.878 7283505.943 4361441.432 7252116.655 5283125.577 6301594.833 5900906.24 4623988.831 5342765.068 12020687.95 1675975.478 1869642.563 4885435.884 5911971.656 5599526.266 3977590.284 1484694.616 4910773.339 5355144.345 2499874.991 4769916.002 4202884.722 6400896.024 10370308.61 3293240.416 20893359.04 5514676.897 1988197.239 4543412.07 6476212.874 9024614.654 3300261.107 5532212.805 1424093.598 5356020.29 7310612.564 6826888.169 7135114.53 5487205.383 Linoleamide Linoleamide 13.861 898793.2073 280.2641 983051.6051 986222.9302 2044166.754 2054600.517 796379.004 1938877.682 1297075.911 846044.507 1375047.669 1555259.055 1082632.5 1018811.099 520908.4801 581222.705 14384960.23 14339888.77 1236200.284 756199.0787 1412848.353 1400432.274 727930.3582 967356.6919 3593893.745 1432711.251 3106895.438 2184819.737 4060295.818 6024515.913 840090.6853 2983699.408 2468897.279 2839735.216 1772899.774 3190993.906 1249488.028 2823837.722 796225.0967 929570.782 978570.5967 1520867.751 11512443.88 2225620.34 5871150.693 14053221.74 1870377.692 10218810.88 386675.9713 15155490.23 804936.3194 1720153.914 711695.9433 1048113.841 845029.317 Lorneic acid F 13.078 420922.3891 259.1697 1067412.379 1322986.195 5006961.33 4070470.617 1494417.988 5236176.019 5020712.671 2423536.15 5403554.855 5654681.787 725208.0509 2591647.994 472966.1889 678611.1463 4857700.818 4529146.907 5066999.004 954570.8955 34663480.76 2312964.361 1826827.096 3328525.339 3088256.771 3580428.103 5505952.579 3802454.414 4168628.13 5191017.693 461640.437 3855429.777 2806333.683 3914265.338 3902236.515 6075517.704 1350418.102 4255711.204 554597.7957 1393062.39 1185235.184 1217276.244 5022489.548 6677814.2 3490692.358 2634558.628 569226.1885 4618721.826 1584168.402 3755779.27 1124491.468 1587381.075 1672873.038 1718647.211 289231.8985 L-Pyroglutamic acid Pyroglutamic acid 0.413 7893921.613 162.0764 5204467.748 6252788.622 4353232.207 6144252.193 6312369.739 4690377.107 4014094.167 9768034.218 4612676.103 7098696.407 10221838.46 6813015.334 3763744.299 6668649.913 4069562.655 10574201.88 6279532.646 6318885.301 9170285.671 5698278.182 7229928.469 4394139.048 7111592.48 5723367.728 5555514.61 11504834.85 5523050.376 5617317.415 16294893.47 8939476.964 5152840.58 6805766.159 4551948.821 6938995.445 5462512.477 7685278.92 7357181.065 6576471.399 4248129.918 6333979.467 6121406.525 5525645.144 11238311.93 6509833.707 7668029.911 5071508.393 12571064.91 6472459.271 9690570.145 5477235.224 5660810.798 4094147.326 5835491.164 LysoPC(0:0/18:2(9Z_12Z)) "LPC 0:0/18:2(9Z,12Z)*" 13.96 401348.9574 520.341 329148.5323 897658.7278 11992797.5 9175121.924 384857.9528 2109612.516 2272883.542 949458.9232 3897664.191 3439682.954 523157.5585 718355.2747 504176.1441 335866.7818 2536614.039 618311.125 3963275.216 289184.134 594446.8632 866371.9657 776686.5429 1507816.032 2740591.876 1074787.387 2694966.002 2605443.106 2348384.092 2377675.774 389430.7241 2023744.514 1279972.724 2284145.719 2660537.976 3754656.033 1451664.969 2141330.752 427177.596 434952.7798 561560.0053 393994.2272 1384507.886 7255425.771 2801191.769 3069269.556 399743.5338 1523700.134 1016826.147 3173848.604 814037.7023 1189284.853 849044.9198 3052315.559 429219.4126 LysoPC(16:0/0:0) LPC 16:0/0:0 15.015 408697.198 496.341 316110.0004 360784.5256 9328424.672 7859642.731 451224.3597 827589.8118 738796.2318 531363.5344 4920901.781 5858873.653 401307.0092 498560.1255 409996.8902 492025.5928 2109818.257 2012736.427 4258762.477 361376.8657 285910.6318 469189.4851 914357.6998 3785240.421 1325651.292 764479.2548 1040373.813 879008.2708 1644398.669 1941106.909 463967.4652 854952.8162 559995.5273 990988.7438 1459407.671 3344881.817 1804969.653 818545.832 342871.5151 479230.0235 380037.1897 436876.8071 987261.8304 2349451.131 1325816.156 870537.9558 439137.6767 883080.5921 679870.8005 727078.6681 313136.6952 661928.1998 488709.4926 812132.6862 472997.9219 LysoPC(18:3(6Z_9Z_12Z)/0:0) "LPC 18:3(6Z,9Z,12Z)/0:0" 13.283 469744.6241 518.3249 388711.3788 345526.3338 11981879.38 10801182.19 415105.4969 1898968.541 4209635.748 261457.6975 7753993.09 4578483.57 503521.3787 383626.9128 461064.0073 447960.7196 6053976.017 4066547.385 6082228.247 322572.9653 330501.1797 374074.6872 389397.796 2742104.721 2656900.263 481997.372 2662180.909 2431267.78 1141960.425 3768669.678 465451.4178 2994729.682 303147.5852 552155.863 1799025.091 5190279.269 1545561.212 794041.1628 442845.4166 494011.6936 351754.3008 531026.8739 999931.0109 8208632.569 3401988.334 3493643.667 446330.7905 1137000.642 387143.3753 3343683.993 329681.2369 1156844.135 368631.5245 3530144.807 460418.2299 LysoPE(18:1(9Z)/0:0) LPE 18:1(9Z)/0:0 13.82 288674.6176 480.3097 207891.0199 303507.5561 6725801.376 4829690.092 244388.6359 416455.4817 1144071.848 465240.1563 2422720.226 1836312.654 257905.9377 345361.3761 277216.0519 392173.6317 2244684.859 1778495.985 2137577.47 197532.7213 217129.6178 397905.2001 616779.7661 1584949.077 396814.778 214474.7522 1162572.019 614076.2758 807116.827 1069185.414 207370.0518 696320.043 572917.0214 646041.5874 1492215.665 2124844.892 543985.7934 647385.8711 172864.3232 348956.2403 449557.3637 225812.7033 255583.3447 994926.7413 572420.5121 836940.0455 214499.6161 244096.6958 229090.91 765676.4372 257147.3035 897494.956 521527.9104 1009682.341 234893.8187 LysoPE(18:2(9Z_12Z)/0:0) "LPE 18:2(9Z,12Z)/0:0" 13.21 474979.1357 478.2941 344345.3265 306197.5031 8082461.85 7221084.549 446168.7701 1090646.588 2593898.03 986487.9027 2991730.112 3659123.621 486760.2608 1428687.284 561675.9746 396832.1707 3025155.098 2288293.796 2401537.482 446000.7654 302856.7476 331379.2117 487633.8853 1240542.421 886503.3855 426984.0078 2597346.8 1750775.189 967677.0309 1970484.602 411646.4237 2297290.382 374663.561 1072581.54 1215343.498 2514506.731 293984.2129 1004130.765 392300.7091 437627.0601 308909.7251 470417.4671 328767.7839 1247610.393 831934.7638 890689.0978 395388.2756 762956.7425 342956.289 1207628.436 299408.7241 410381.6067 326557.311 890981.5869 407867.8277 Methyl (3S_4S_21R)-14-ethyl-13-formyl-4_8_18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E_7R_11R)-3_7_11_15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylate 13.668 141404569.7 885.5543 124790116.5 128084107.3 10876386.32 225945378.6 382135114.2 54071715.66 1874257.628 12052323.69 9168411.846 390219754 192008372.4 51680933.4 49831916.34 51037811.5 20088663.9 33060843.53 242467235.6 42605338.65 62482449.45 72288172.16 106140182.9 95013257.71 386785724.3 85474134.18 43741407.29 153918032.5 20771910.74 235020944 132576906.8 146643454.7 61078870.77 37325257.63 61934138.85 60081258.84 260417981.4 74743238.59 109623647 93363228.56 197108996.3 38673287.17 449078719.8 93588829.59 152605237 57169238.82 152219617.8 107520147.3 200810492 66757083.36 4098612.737 2313449.256 8017819.866 2036333.501 32172230.8 Methylacetoacetic acid Methylacetoacetic acid 15.004 13506842.19 117.055 9639019.205 66181186.04 61490363.07 54297797.26 16890546.96 9113833.162 7992742.914 10572610.72 11479085.38 66821246.24 18354641.32 7665222.201 19392926.71 17298836.45 10847980 8294475.471 33831685.1 15501746.55 11086470.4 10231872.62 11690889.3 29429390.52 6749337.211 11101780.67 56356219.87 58744501.12 8502176.066 7310123.096 12122737.67 9487185.76 12892155.66 69224912.98 10127511.7 9779730.097 66352094.1 11517799.59 11317385.94 15886443.2 11676373.74 13989509.93 8993622.923 69684456.61 23715970.11 10679691.57 10226741.11 12199906.16 13437230.25 11222296.97 9700039.723 10784985.79 13800867.72 11840735 13377593.11 MG(0:0/20:1(11Z)/0:0) MG 0:0/20:1(11Z)/0:0* 15.079 187125.5348 385.3325 423863.2176 278399.3302 3903905.69 3647491.861 148394.7001 2361186.784 2856850.097 1386043.234 2833897.115 2743356.896 192431.3555 1615648.376 203468.6565 244176.9406 3306462.35 2619414.205 2889525.272 248169.2834 889836.7761 992425.2322 500033.7879 1875101.511 1563154.186 1512280.587 2305815.514 2000629.622 1799985.291 2864618.084 230252.5679 1898725.395 1959430.356 2384000.749 1589925.67 4624597.231 354239 2660951.47 129152.1328 237826.899 396243.6864 493087.9748 2858341.811 3239210.886 657961.1659 1122148.504 194919.3007 2887065.457 789648.6806 1166322.864 480759.3388 664608.059 684727.195 1155405.62 955566.383 MG(18:2(9Z_12Z)/0:0/0:0) "MG 18:2(9Z,12Z)/0:0/0:0" 12.941 13566560.16 355.2853 17032016.12 18308109.13 101864088.2 87664079.05 9952072.026 68796077.7 24260908.97 36979022.99 71819494.3 44846341.86 29903239.76 39642562.76 12843047.6 18273034.89 64991509.02 57464952.71 77820841.49 17239652.48 31265288.87 43011789.13 23316118.51 62187141.86 42595719.72 48349894.51 86314215.77 60271380.57 50812783.65 68589484.68 9629424.826 77928036.51 46551061.14 54460241.69 25548502.06 82661890.11 25650829.65 57342450.33 6755081.908 14539578.56 16270075.81 17717814.66 70620308.27 87201113.6 52211253.86 44978081.43 16397501.07 70592804.26 26242902.79 50623948.58 18783844.09 32283703.3 24943006.3 36224052.45 28294913.02 MGTS(16:0/0:0) 14.237 3644491.54 474.3802 10087329.73 5814926.306 229358964.3 205280884.6 1442666.279 33238213.96 42917015.63 23681799.1 80693770.79 98925722.02 10057472.84 19942715.56 981472.9855 4060353.93 53321377.23 57842598.18 93253380.31 4170443.703 16078924.8 19874850.74 24526767.61 63565813.67 40504643.4 29400511.05 38978541.87 34037176.99 37523622.55 46939054.35 11880012.63 39775282.31 14222250.81 17468441.36 38262094.27 76740953.92 25928000.49 18774126.64 5294235.772 2128755.673 9158989.755 6320914.032 16425829.84 44881885.97 27462099.89 25161527.69 4709746.97 8592846.614 14894541.96 27638096.02 8983825.496 11211292.81 6727982.403 16643893.79 4571309.687 Micromonal 14.457 301139.5877 585.4304 328292.2342 351259.5022 13235275.58 3934412.489 275002.0375 3880284.073 5348927.516 3381805.513 9917091.714 8353000.656 292238.0103 1989491.71 293228.8038 279846.2517 6981880.14 6331883.415 674429.3851 663937.2384 1321699.456 1325536.941 272842.5322 2292773.267 1791452.398 2936828.984 5490669.323 3227451.334 2373998.146 3873397.239 271546.1108 6136697.34 3020696.664 3951458.049 4592185.812 6044848.191 323810.6377 3911061.974 313441.7135 297528.5467 271269.4773 283440.2044 2551705.414 6339445.211 3919121.603 2804414.781 269275.3413 3200967.73 1348990.245 3279933.962 991786.8192 1924821.695 291659.8314 2839930.712 1681078.642 Monacolin O 12.227 405735.6369 469.2807 450581.1368 852279.1613 8595037.2 7993286.671 208913.4803 4710333.257 12186765.84 4599428.356 19761150.81 23299893.97 519696.9656 5219701.608 465131.3526 1056218.191 17252379.36 14849808.11 2657842.455 920757.5893 1452575.319 2077429.361 604951.11 2814443.307 7674556.472 6650801.421 9899200.956 11489368.31 7896007.841 11717195.35 241062.6894 11510722.69 3810961.865 5436653.081 18486288.82 29270543.49 675751.3672 9353548.566 247905.3618 374807.8545 132188.0018 349389.1924 6828287.822 7200172.15 5376346.054 5042359.76 319839.5468 5910081.925 2483241.001 6929775.116 935749.9054 3177384.68 2321707.585 4669014.943 2714203.712 Monobutyl phthalate Monobutylphthalate 12.93 5381326.29 223.0969 8509531.293 8353852.95 63062844.33 58937679.85 7841958.936 21419197.85 53340350.83 28947330.61 37827187.22 45594255.5 5577479.435 22251896.52 6321868.776 10878004.04 37093780.84 31024118.12 47285553.49 13499103.93 21358890.13 26765995.93 15583787.04 39923402.64 30725903.09 28299882.04 44637629.86 26358896.92 34095368.68 43002036.73 6120103.692 39832380.7 23211492.55 31834908.03 36145156.87 67195421.95 20694498.22 28975498.25 6326734.17 7123545.487 11318800.36 8642971.982 50703784.1 62639330.11 30735735.91 30946221.04 8705133.609 43553592.29 11689117.15 32159806.41 12290954.6 14441644.66 10684610.7 21582410.94 15692510.14 Monoisononyl phthalate Monoisononyl phthalate 12.938 10477329.37 293.1753 10928433.88 9987468.514 72200074.29 69675339.83 8867764.332 25918101.48 65183297.51 31624919.53 45858579.16 52983781.34 9251024.602 30697936.02 10382511.92 15095415.01 42061375.75 34070221.31 53716959.94 15110131.99 24046682.9 32739326.41 17921762.57 50592785.7 35501037.25 35418498.51 51472128.25 34394098.35 37247040.9 47513513.88 8226790.818 48944182.21 29013455.16 35578479.59 40934503.54 74911939.39 24355323.57 35280846.92 7404014.201 11027280.61 12823342.08 12370572.02 54994079.34 70903647.12 37723307.52 35831840.31 11786947.28 49029993.29 16237909.29 40029056.37 13420459.53 21741975.77 14014882.3 24724107.01 15742398.42 N-{[(1S_4S_6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1_3_4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-2-methoxy-N-(2-methoxyethyl)ethanamine 12.222 437941.8747 504.3183 379341.5633 910440.2324 10650853.94 8639834.803 225496.488 4896754.565 13546570.23 7290926.854 20573890.83 25504563.05 560949.1567 7136391.411 502052.2676 1168180.685 21305862.69 19150315.32 3034679.124 1780725.622 1455330.004 2551031.563 677293.4696 3829961.21 9224161.275 10030596.36 11910178.04 14187123.2 8597491.953 14420972.66 260197.6176 14766325.8 5688905.425 7601035.013 25208678.18 34423990.78 1022056.392 12837935.6 267583.4435 404559.1255 225724.7944 205628.0926 7295114.841 8668745.176 5942925.523 6592616 683807.1872 6466319.254 2702308.616 8260955.224 1560746.838 3539974.152 2691363.489 7542629.388 2867353.337 N′-({(1S_4S_6S)-6-Isopropyl-3-methyl-4-[(5-methyl-1_3_4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-N_N-dimethyl-1_2-ethanediamine 12.919 3469735.236 335.2799 13504461.76 4719673.22 2377890.489 4684015.801 2772675.295 1485137.254 1320855.482 1280709.716 3701221.98 573910.6862 2192227.77 2646409.229 3188129.069 2426216.678 2085225.82 2056552.941 2390162.398 2323239.603 1978039.763 2102832.966 2442479.766 2671103.253 2164769.68 1748009.159 2211290.427 1337744.064 2203841.768 2221977.35 3135121.36 2520613.209 1606042.386 2151801.902 1181010.673 5343600.776 1543134.626 1663353.534 2241317.702 3017335.546 2346645.362 2804465.175 2287446.452 1820512.723 3268611.352 2571254.741 2772094.05 1944603.578 2457995.746 2717909.116 2369751.914 3090890.141 2705084.441 2328605.132 2967513.689 N-(2-Benzyl-3-{[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}propanoyl)-D-valine 15.283 89421.4392 581.2397 79480.1922 92705.2469 1479156.381 858258.8378 100682.0266 679448.9789 1179331.416 520605.1265 750508.4342 708766.6441 70600.3781 505239.4428 84952.1494 110204.5244 1558664.404 1806819.745 536904.9867 123468.5062 78017.9049 209584.6523 113745.0992 578174.6328 136648.1737 139006.8262 559316.9857 374395.6957 538118.7658 903625.7166 119948.9434 581487.8584 819158.4549 764257.2529 402877.5427 873208.6799 201647.0105 1088451.011 65656.5834 234862.42 81794.0494 96867.1748 577670.4284 642190.4664 196239.5086 444797.0086 164493.9137 717699.8926 94455.5468 286954.2913 73425.8912 274314.9432 95705.4052 172026.7406 72175.6403 N-(2H-Tetrazol-5-yl)hydrazinecarboxamide 0.39 1916894.948 144.0633 967149.2823 1331804.575 597555.64 1110255.625 732290.4137 1026977.134 921775.9509 984250.4691 745952.6409 180881.9987 744448.0141 1050276.698 7779387.429 718064.4878 203033.5712 433700.8037 416367.7077 1067177.739 1109376.664 968214.9712 1358056.613 254726.489 603651.0835 291717.3274 1009810.323 675730.5084 411296.5941 493643.0069 1301749.45 1025189.287 1441298.919 202032.0874 1076483.504 575150.4342 798207.434 1246250.238 916770.4827 540897.234 902803.3271 1962224.307 799688.182 526020.1783 252027.2553 1031093.611 1420712.685 1311430.72 915942.0736 1055220.145 1604548.269 1526945.475 946225.4681 1111717.885 915345.6011 N-(2-Hydroxyethyl)-N-(2-hydroxytetradecyl)-β-alanine 13.031 14579068.97 346.2954 32482295.52 29023756.49 9872542.873 8244702.195 16758433.38 11346315.75 9363183.331 86156847.5 10624224.98 11172029.48 16118293.05 12870680.69 20919403.47 16792548.43 9622514.083 7972275.801 9198566.868 12575744.59 96391939.3 13132617.41 11457636.76 34608051.48 9464917.651 9478621.586 9896693.744 60622382.31 9263172.684 10121527.27 12500434.77 9543302.046 10111098.32 8956336.027 8684746.342 7490339.936 8481486.821 8490054.625 11245150.35 14974175.09 8704846.27 13133804.74 9383087.681 9245536.672 10708790.71 10543836.32 15736444.26 12514355.62 12465615.28 10714164.73 79495498.49 13079556.34 12808711.78 12330562.97 12003259.16 N-[(2S_3S_4R)-1_3_4-Trihydroxy-2-tetradecanyl]tridecanamide 13.948 1417542.691 458.4219 1747783.136 1380987.433 672385.5336 923405.4277 592078.0136 366419.5327 325635.3704 2062769.369 410470.3135 425303.4537 804842.6329 4145891.828 716594.3932 549918.4976 862900.2609 1513012.347 5179316.914 457692.1635 1448598.051 1853378.711 3730226.765 1122009.337 1327156.888 775886.9533 1802333.727 2310925.861 1474421.966 1361305.719 7828053.147 1879414.743 393584.7953 413039.9892 3390019.934 929562.7749 2233288.685 1934085.553 860926.6416 810256.0362 1849210.544 1017698.91 2218483.658 474108.3307 2039100.415 1837666.459 4228962.075 1862757.328 1285217.138 1259995.068 4584685.776 2186141.051 1636373.32 427236.3796 555912.5259 N-[(2S_3S_5S)-1-Cyclohexyl-3-hydroxy-6-methyl-5-{[2-(1-piperidinyl)ethyl]carbamoyl}-2-heptanyl]-N~2~-{(2S)-1-[4-(methoxymethoxy)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}-L-norleucinamide 14.869 617020.7049 770.5793 3419890.461 3304320.738 1352721.616 459010.5045 3517537.521 478188.2049 496154.6203 1382095.648 1708379.916 490701.9719 626012.934 2379150.03 830567.2988 571119.409 2297431.586 486542.1712 529847.0232 619731.2762 456077.8246 1035507.528 1151275.031 1113235.354 4378326.202 765724.528 348222.426 433527.9025 6474936.489 2247679.229 6933289.342 4773713.452 458003.8132 442571.7043 4226443.105 386266.3057 2725009.257 2858690.138 592129.4298 744738.8894 573751.951 625072.6745 997360.8712 500349.8029 2927066.848 4724154.853 5522538.177 2283589.459 8190335.332 2260799.186 4825077.797 5566993.66 16648745.75 415473.2598 2684890.273 N~2~-(tert-Butoxycarbonyl)-N~6~-formyl-L-lysine 17.185 821978.8777 275.1609 789864.124 474306.0078 398835.0683 403034.5383 709653.2912 381678.116 431241.794 5232618.246 456873.606 514877.269 647256.6792 732290.227 884446.85 747180.2625 509273.6493 464910.7605 432125.4853 611435.2516 548396.3456 894554.6159 562152.4103 633679.1893 430027.9444 687119.6096 381161.9901 377313.5508 704180.6609 517729.8114 1028437.89 452198.1772 477654.1315 525459.94 373169.559 387606.5209 517386.4106 444958.743 6493917.376 855374.7071 607101.7302 895437.3859 591242.1012 604462.1266 479066.9638 761151.5276 704393.947 446249.4904 5041685.326 681579.7904 848559.7823 837361.5448 656976.1361 6002615.904 479308.0187 N-(4-Amino-1_2_5-oxadiazol-3-yl)hydrazinecarboxamide 1.693 90521.9536 159.0631 1312142.255 1500955.564 2289048.457 2196877.654 182357.5871 2626242.604 4334469.653 4756194.758 6773144.092 5774263.596 46076.1072 3540360.323 614142.7507 2588653.308 3787814.671 3626969.577 1610995.655 2593845.553 1457847.961 1736125.537 1047774.853 1606249.684 3432112.014 2181421.95 530170.8689 644911.4534 3723591.505 4585644.412 66526.9109 549664.9559 2975571.366 2579381.025 2395448.016 2448000.492 2027513.019 2171038.547 43565.5695 379677.3094 1301685.912 1587061.701 7399503.527 3806617.027 3572844.278 3746031.283 1112055.104 7739228.201 3065553.085 4295240.624 1300118.551 2345442.863 2967759.627 2589592.051 3386301.521 N-(4-Amino-5-methoxy-2-methylphenyl)benzamide 10.683 63282.4914 257.129 551570.0712 652540.389 782756.7962 746413.0595 65980.098 2796370.504 1024137.894 456370.0793 1648548.226 1649617.574 78451.7839 449122.1371 86699.9358 76526.1538 2744651.243 2098210.179 1535460.533 75664.6385 249786.883 253439.6614 380228.2111 1680816.998 2515345.046 331036.8741 3767494.385 2548715.569 2558740.67 3977929.39 61903.6686 2874488.919 977029.0027 1233935.535 1154838.715 1602723.027 1436038.915 1436121.908 95525.1544 94261.3329 748987.5597 770711.6422 2092775.831 2155430.152 2201992.705 2199137.659 180650.6883 2328285.289 214547.0949 2267181.866 102739.3054 63531.8905 240921.9316 46236.7484 138375.3792 N-(4-tert-Butylbenzyl)-N-methyl-L-leucyl-O-benzyl-N-tert-butyl-L-tyrosinamide 14.864 218063.5875 600.4182 1524726.829 1869529.523 6044595.48 3649270.507 210778.6599 11981561.15 30554910.18 9327040.68 11569887.42 10572693.58 227275.6144 11010811.13 301539.6054 2117922.386 14507113.84 12501896.15 1202655.881 2284017.042 4670829.928 6662713.101 417973.3769 1101014.188 3373622.129 5954422.43 22918994.82 16563737.14 4503041.633 6274322.009 207303.4635 16209009.73 11473893.79 15461391.01 13150901.78 24220962.29 393073.5139 12835511.68 200768.8744 225421.1568 196718.7941 226934.2507 7486976.83 17237388.43 10258228.86 14525102.18 559346.8049 10400211.55 6086272.202 15334050.32 4148891.511 8930449.924 6894913.47 14511140.45 6430787.905 N-{(7S_10S_13S_16R_21aS)-16-Benzyl-10-ethyl-13-[(1R)-1-hydroxyethyl]-1_8_11_14_17-pentaoxoicosahydro-1H-pyrrolo[2_1-c][1_4_7_10_13]pentaazacyclononadecin-7-yl}-4-(1H-tetrazol-1-ylmethyl)benzamide 12.888 393951.0129 743.3642 1385151.066 2379900.69 616889.6751 462996.2205 1341487.185 777522.8255 375919.9724 311908.3611 907024.308 456320.6937 254567.0498 432550.6216 223286.417 335313.8124 259380.6222 246500.3876 440303.9483 338517.4168 1132362.446 691385.3188 356272.7371 1169367.262 235109.9119 531225.4907 303040.5034 535109.3629 502685.2134 327145.4153 242035.2552 449958.3947 483192.4666 272089.3216 249234.5993 542790.0711 1893930.532 262101.7764 523416.6293 353757.2143 1183584.671 1773495.414 628084.3028 193282.8287 596294.0571 1184853.774 849077.0114 991887.1168 1006181.391 398471.3234 280936.6391 378953.6698 2074772.632 205802.7682 1201114.466 N-Acetyl-L-seryl-L-phenylalanyl-L-allothreonyl-L-leucyl-L-α-aspartyl-L-alanyl-L-α-aspartyl-L-phenylalanine 16.371 25828.1834 955.4039 19190.0942 18713.6997 108885.2209 46248.9826 25985.541 204302.3633 180816.0235 123769.0612 164302.2773 185499.3371 25907.6255 81886.252 28163.3247 24077.9929 167527.7075 225685.7686 22396.7637 21885.056 31908.3056 57635.2916 18705.805 33924.0717 73900.7598 119428.107 347734.398 213633.1945 109809.4499 148745.6239 24878.032 243234.5686 146463.2438 187498.5511 65349.2351 117203.3693 17515.9458 196406.0413 22300.7578 25956.8809 19764.246 22112.0024 84417.0889 192500.2188 163438.2098 133622.353 23669.6719 160872.977 35949.5604 254088.0217 48386.6626 152698.4677 48445.8547 219750.0594 36995.1513 N-acetyl-L-valyl-L-ornithyl-L-leucinamide 12.911 14115374.42 386.2755 6125277.487 111346872.9 8245440.113 7291586.35 14152871.12 8967032.009 9709599.272 10686252.4 11428236.43 10002501.13 14924535.09 12035613.07 18657626.07 13943137.54 7315132.342 7217315.192 10158412.19 15323908.21 11904352.31 5970133.476 11141623.97 10517240.98 9695857.643 9646983.995 7893222.429 32530326.71 9079824.087 10200501.61 9577701.534 8565181.508 10172693.66 12070647.12 8400743.66 8257009.009 7527507.084 9215718.013 12412748.34 12996278.39 7548744.465 12777850.9 10427418.08 9152083.487 9667480.375 10941515.08 13797044.7 10564962.25 11346267.5 10089430.38 11968383.13 14052019.7 11586048.81 9757559.189 13112978.08 Nalpha-{3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-[(benzyloxy)methyl]propanoyl}tryptophanamide 12.226 25471.9022 485.195 19865.2703 37600.5538 422998.8531 349807.4409 26217.146 210506.5209 487294.0833 204496.7808 747669.0646 888266.0604 25202.4584 246912.6198 27741.993 51940.0435 766513.2366 692970.3284 108137.4526 61448.7392 68311.3844 87906.1013 18566.7787 90668.8171 281796.6157 171117.5945 531646.2877 368198.9824 313941.0571 487823.186 23860.5938 474782.1379 280795.3445 314498.376 910531.4257 1441728.109 26611.3986 330355.1885 21093.6332 24797.0211 18679.7282 22038.6452 259576.5678 249553.7188 269261.4542 268330.5367 22925.5788 237840.0297 123549.3167 255279.2747 69724.08 187111.6101 109090.6326 259314.4646 112761.8389 Nandrolone Nandrolone 11.914 10958615.33 275.2011 9548825.069 2619581.569 5381756.825 4078968.085 3979753.985 4795483.672 3290338.605 5047770.395 5921276.064 4353786.456 3462783.109 2991579.796 3672508.634 3056471.757 6897537.958 8214344.834 5043043.481 3341409.779 4431478.742 11396074.7 2159720.744 3628239.603 5397938.335 1302474.798 5077157.41 4190425.322 5469823.222 6343539.22 2068130.942 5702856.682 2566144.545 3075333.59 5053664.672 7169549.356 3304865.759 3007829.762 965167.6172 1449440.945 2186027.027 855909.2494 4375879.625 5937379.816 3059597.212 4415047.467 5561579.324 4768463.781 1508542.802 3440130.867 1406013.647 8979981.848 12179506.84 3108109.036 3876193.785 Nandrolone phenpropionate Nandrolone phenpropanoate 13.54 651856.8629 407.2593 842889.4388 1984001.528 13392045.76 10841346.45 1385065.875 6620851.414 14885153.8 3297648.309 12980600.83 3394762.193 708024.8347 2482896.871 1676773.465 3113779.996 5540096.746 9515285.041 11854147.8 2726464.019 4351991.589 1475563.762 3048499.015 6342167.956 5520558.705 1328155.98 11766322.65 9033704.746 6512949.245 9293975.274 687878.5622 10821142.01 9282279.475 7424873.399 8260818.401 13586082.58 2094449.807 10047456.24 700492.2727 857914.5038 1727816.403 1428257.792 5845924.685 10943288.86 1871039.173 5564862.792 882429.3429 5820770.682 3945787.726 6899349.994 2868224.924 5834108.154 1384355.456 6125131.774 3404670.464 N-Docosahexaenoyl Proline 13.452 182464.8872 426.2988 185768.2375 186055.593 4356087.835 4217368.135 205752.2705 1312009.428 1654625.162 376884.432 1486693.041 1701416.015 263540.5829 513273.5404 262098.9607 256931.3887 2276523.639 2032699.201 1684977.455 202236.1483 303314.8293 369400.8503 242677.5333 1020410.106 497187.6327 585148.7882 794220.0661 401741.7808 691286.8963 1142061.209 249830.1216 680110.605 176253.4779 143531.3646 1063693.214 1491385.565 920584.2184 155258.7714 284853.3788 228093.5338 478914.1756 518839.5442 641581.5112 519397.7869 138348.652 151627.9192 277577.9175 766309.3366 238675.0863 155400.0088 160389.9568 157669.0697 197208.5632 169106.4894 240548.2321 N-(Ethylcarbamoyl)-2-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-1-piperazinyl)propanamide 13.033 37957682.12 358.2439 15011778.11 22741287.75 25189283.99 21391431.52 42876552.02 29610863.77 24624906.22 32250715.81 29156929.83 27383715.67 41617116.57 32540177.64 56820217.37 44465841.83 27312459.63 20041755.77 25162345.46 38957416.03 30568141.45 35930840.96 30001859.51 23209906.55 24979910.64 28640114.5 23961129.55 22697229.1 24747121.39 27030682.92 33422328.48 23532359.41 30278360.88 25516138.12 23064204.73 21956947.83 25748027.55 25910934.58 29201314.99 43003873.08 25643610.51 35541079.37 25208028.57 25924270.85 27424191.71 26318287.51 40839740.96 33147281.81 34251788.27 24743550.65 37544546.26 34463560.85 32292703.44 31468511.83 32192998.03 N-Hexadecanoylpyrrolidine Ethyl 2-pyrrolecarboxylate 15.464 7007720.902 310.3111 5797446.88 6999032.686 21722782.8 17618228.4 7317410.337 10616836.4 10641581.8 9544475.778 11830569.61 12175950.78 7673187.038 8191204.546 7001850.839 7635541.818 15880467.07 12697612.94 6582160.898 7372048.622 7503323.556 6994194.889 6461889.084 6940677.379 9382238.926 6599781.88 9536631.508 8509406.476 9629855.434 10500077.54 7364088.627 8626091.811 9056764.651 13420598.61 7420471.463 8991594.984 8233337.065 10509210.1 4986471.453 5298974.826 6612466.281 6760713 13647627.28 22150179.76 8524673.95 12672615.51 5999785.102 15545191.33 6801669.512 12150601.56 7365969.822 9059634.662 8112154.777 9948822.398 7787862.682 N-Methyl-1-deoxynojirimycin N-Methyl-1-deoxynojirimycin 1.519 1220917.256 178.1078 933960.7512 829482.5654 1484463.978 1481912.996 1247451.929 1315615.875 1147623.049 988053.3653 1446309.405 1181411.59 1099581.649 862430.2515 1667938.324 1169067.553 1393544.457 1173905.01 1320821.91 924343.3946 5988770.411 1013946.079 1064560.804 1265179.823 998192.36 1039582.932 1364560.339 1121713.34 1153437.18 1368172.5 971946.9226 1503526.973 735028.1125 907447.4329 1425192.787 1619510.176 1089047.589 1030655.708 1002434.286 1048821.723 843490.13 1010683.122 1293476.411 1206142.404 989610.4502 995516.1893 1178772.239 1346547.08 1003952.313 1076397.915 844729.3093 936583.4091 1033363.533 1062441.893 1069632.444 N-Methyl-4-[(2-nitro-2-propanyl)-ONN-azoxy]-1_2_5-oxadiazol-3-amine 1.894 51389.1568 231.0845 87334.5961 83611.8621 5105320.826 4295540.588 46760.9486 1375327.012 4223420.913 1621092.474 2980838.83 3332050.03 53737.8857 1341617.195 50262.8855 723816.7613 3873973.371 3822584.519 5273479.484 940753.948 525882.0691 91619.0088 591508.3992 3675064.729 1203502.042 1032354.631 5299448.691 4790373.67 1456694.737 2258046.789 57254.3927 6678829.671 2730880.152 2682542.193 1807088.104 3077147.167 2589665.744 2931424.935 37259.7431 52066.6201 1390364.437 906892.1356 925508.1749 3805941.315 1349798.141 2575081.544 54604.2391 894445.4733 133775.5036 2819932.533 296780.3362 115339.888 168555.8407 182272.829 142082.3799 N_N_N′_N′-Tetraethyl-P-heptylphosphonous diamide 13.453 3756061.828 587.4686 259391.6341 259792.8739 295862.8772 1110348.03 14811625.41 204581.829 171102.8831 21275549.06 719249.732 11578718.74 51169660.25 1760016.494 365973.638 358758.0614 320844.338 12880209.97 2354014.113 282386.0833 231357.5393 251147.633 2470834.08 3251685.29 19860165.57 817054.1013 499121.164 615089.267 41921799.3 12757725.48 348842.4306 2152960.868 2706251.366 5937861.279 230902.5644 137649639.3 10040728.8 143934789.9 70325619.32 318491.23 651208.6929 6515924 251016.1921 227051.1144 552368.4421 4074281.544 92868658.4 264455.056 371170277.2 373171.7559 9407740.046 220156.2451 275365.973 2986417.609 335881.9562 Not named 15.741 780574.6779 281.2112 484002.3278 410044.3305 399694.522 253456.3137 470977.5521 269339.5674 407087.2697 389596.5038 330869.0333 5960310.158 915240.9914 550646.7575 722266.6738 655375.6546 409842.4604 290099.1466 268848.2698 549079.0232 435569.9141 569206.6724 398150.5308 7498364.525 513138.4413 599136.6902 298553.2426 412808.2502 382262.1115 261204.1369 596574.8871 2918785.349 284263.7049 523957.8266 442723.7288 268714.8267 482484.4242 349615.1757 630903.6588 612614.1483 525559.4843 535509.3499 361992.3906 476974.5526 382295.3344 376056.0277 435947.2777 315925.0443 703761.3372 1910476.933 421775.5418 527978.7372 643770.5635 585561.4272 392677.6018 NP-016455 9.221 6709566.17 243.1345 5768206.088 4914469.57 22177983.69 4451003.762 6529507.739 4500082.36 3228132.358 101928499.6 3772921.384 21065645.39 69917511.98 4115218.632 7874974.851 5510269.277 36993096.93 4232435.561 21342722 5720356.001 5122068.79 35320987.98 6096728.239 4791770.411 22677661.48 5320626.511 4303108.383 4690782.065 26452720.69 23045160.2 164964683.6 3877411.976 93874980.3 3607914.588 4271497.984 4080828.101 88128719.01 21983662.9 5609441.114 54853066.95 62115805.6 6199479.783 25074705.15 3955896.522 105146573.7 3966775.518 5903175.582 29862972.54 9161081.994 4778351.568 6289145.897 5090861.366 54962441.84 23795655.9 6447243.915 N-palmitoyl-3-oxosphinganine 15.897 7013869.894 538.5211 2349010.301 793417.0136 2828892.588 7659201.521 4634661.816 763562.1016 735441.3991 9066674.521 1519934.23 34849699.6 3962650.333 3816014.34 1063513.946 983999.9952 3200621.175 52164501.49 9354018.769 874352.1243 6578469.972 827711.9596 4410906.17 2072773.79 39463502.19 868939.1531 2969788.57 4260017.54 26481401.61 19625412.6 94745092.21 1677962.351 657506.7356 2401634.367 6765843.143 13007486.21 5592211.24 3069982.926 1806361.506 2334318.896 7777134.965 4376356.083 38275197.69 701091.1061 1469845.1 2047498.622 29220884.92 1607029.27 37098576.63 1469486.759 4253519.489 713093.285 8425258.8 682386.5202 4427196.362 N-Tridecylglycyl-N-(4-aminobutyl)glycyl-N~2~-(4-pyridinylmethyl)glycinamide 16.695 50387.1607 533.417 40900.0415 40954.3455 1494909.099 1218254.303 54530.2043 320854.3963 2281210.389 123127.7833 1371937.278 798769.0509 70378.567 401596.6678 54345.8944 44309.8125 720135.5507 437680.9218 188988.6782 407417.4683 174430.3242 193322.4983 37783.1283 312946.8394 392995.0318 353814.2828 1194626.594 1131910.348 131443.5839 221172.8196 42783.1303 1142307.313 1112253.547 1381717.083 687807.3022 1706514.526 60598.4484 1255367.594 218311.3738 53827.6254 44941.8481 38500.199 1146678.585 1441560.07 455806.1954 590293.7151 58840.6653 547958.3606 197485.8078 251684.3267 39698.9684 688405.6319 34208.4068 521353.6003 449294.3348 N-Tridecylglycyl-N-(4-aminobutyl)glycyl-N~2~-(tetrahydro-2-furanylmethyl)glycinamide 13.536 4502495.202 526.4322 3135035.621 2153891.1 2758219.495 2073758.758 3556964.605 2281269.468 1899007.733 2143031.09 2737770.588 2576622.756 22323900.68 1901447.902 3782594.432 2573623.549 2705503.763 2388524.492 2100612.296 2249858.693 2226908.706 3279396.302 3056279.279 2602890.501 1858480.807 13932136.66 2116340.857 1859872.464 2321117.908 2640090.907 3255915.668 1711572.62 2348511.503 1728923.963 2122111.721 2301684.126 14727248.12 1789986.131 2832632.737 3588123.312 13571259.1 3184584.68 2476182.279 2128581.917 15550733.04 1875056.675 4391248.261 3333510.016 2625732.711 2356842.343 2805990.393 2612384.436 2395461.195 1820172.797 2857577.48 Octyl diphenyl phosphite 15.253 174630.9244 347.1784 141928.3286 165544.4003 1885010.908 1303584.982 195341.6118 1041168.838 965018.3143 238961.0617 1248752.938 1352753.758 197720.7506 272926.8993 208566.093 196792.9811 1057957.729 829399.7081 1871325.841 220478.5651 175035.8227 427805.0852 203115.41 1588588.611 538245.0202 577372.2869 1648661.276 971606.6704 577360.4924 789798.7605 214193.6576 1161535.317 579213.6761 643618.4284 400127.6795 621223.7097 495244.585 782636.3367 117243.4149 419395.4472 146060.1996 172976.3838 729395.2239 1396307.704 444306.3107 469381.0589 182288.9689 488139.7337 168669.923 390992.6393 132194.3747 151302.1565 170901.8037 158798.6891 157359.1582 O-Succinyl-L-homoserine o-Succinylhomoserine 8.242 44347.6896 218.0666 39491.9623 34829.3311 639314.4008 646421.4599 35343.8572 156954.0292 185436.1631 95819.9618 115996.9778 140766.2324 34749.5486 47788.4468 39674.5709 32734.9189 249216.7446 232157.7747 559655.2328 29608.0843 57397.8815 84398.8237 180422.7417 75194.9794 84530.6638 133250.1762 278172.4076 171335.1836 106575.157 157861.0331 34604.1953 46184.4975 43566.2724 49514.6582 120874.0771 187157.5302 386371.9333 65900.1967 44995.2102 42163.0199 212677.2035 128614.4869 256137.246 108936.6029 153778.1727 136153.464 35812.299 269147.1663 111629.6288 138275.0336 35893.929 116448.5458 80224.8062 80376.5531 105426.4754 Panaxadiol 14.182 3185986.507 461.4001 2320032.827 1812722.486 1467149.54 2139378.093 1518790.889 490656.776 823835.8784 2609559.392 300921.4968 424404.4204 4929281.089 1601258.993 332282.7888 282850.3972 572132.6897 1701814.096 5092712.748 275575.482 2805684.275 1348072.944 7203575.838 2271186.877 1983674.537 801483.0164 586537.5542 2605082.419 2996107.707 2143292.092 3129061.367 2482431.49 473895.9642 407772.8692 592121.682 256688.6391 1396420.211 232738.2307 1797628.243 930153.1661 4206736.299 1266333.146 3273866.778 267810.6127 1311185.272 2196799.572 3663090.932 756823.5815 1552570.096 1499687.462 1964854.723 1276695.073 3190473.708 444817.9011 326235.8053 PC(14:0/20:5(5Z_8Z_11Z_14Z_17Z)) "PC 14:0/20:5(5Z,8Z,11Z,14Z,17Z)" 15.413 497164.0029 752.5246 17591752.8 16565397.15 9335740.649 316357.3763 2456206.307 1019636.066 5298057.718 12500708.59 2231648.595 373885.9561 471290.7812 40418645.76 612852.0086 454909.5838 17318355.69 369055.2304 21867494.84 538659.7821 9139937.803 11850855.69 26417587.05 12149847.42 18564984.98 854406.216 10106608.07 10807266.61 22825702.64 25458171.17 32927191.38 29576957.67 1493618.555 1776867.928 31631188.88 383535.2979 2673228.595 8208939.369 3315397.163 8680317.873 14437992.78 2911256.398 6933833.08 347675.0295 18614084.13 28723642.73 15380906.09 8563449.218 16394775.03 14970935.91 13354705.95 20605233.42 40649017.56 3217308.165 2942891.372 PC(14:1(9Z)/18:4(6Z_9Z_12Z_15Z)) "PC 14:1(9Z)/18:4(6Z,9Z,12Z,15Z)" 15.351 17106.2491 722.4796 30528.4879 81824.1673 387283.6879 172880.5736 16871.4477 403785.6054 539426.5232 133696.8564 339222.8797 323271.3998 16403.3681 114708.9721 18463.3465 39994.3379 358246.6053 337384.5586 548680.1847 67827.8506 112089.1722 276840.53 67744.5694 397718.9741 147051.6983 154489.3633 650102.0628 384823.1174 160041.8597 211742.3925 16065.7503 700474.8895 445610.9328 500004.0533 218567.3294 269460.5717 291498.1879 384391.8511 15329.0969 15731.5932 50336.3933 27212.7432 256414.8268 430869.5527 336118.6585 162049.5365 18768.1287 237683.6405 40123.0441 285287.7359 73513.9393 111934.6066 71013.4388 249228.6422 35778.3126 PC(14:1(9Z)/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) "PC 14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)" 13.29 742634.223 776.5245 20915456.36 19391464.98 6325670.657 472568.7454 1817431.756 395147.4244 5941378.982 11311767.96 1288488.991 533652.6455 697405.3585 21610986.3 638599.5171 657454.2255 10385686.37 461802.1917 17132574.31 517496.1727 587800.511 3828602.547 19951209.22 7525794.542 22640321.84 1497320.142 4988130.601 5868542.614 30190917.28 5203411.925 40916230.75 17469763.79 728486.6063 462088.035 27875429.41 425048.5024 896144.63 5352916.702 2987625.294 5444769.048 14072843.81 10207283.55 5381829.41 434345.8195 8649502.743 19988887.77 14563354.22 5687099.974 26291817.96 15536692.06 11315331.04 10531396.23 51022559.46 2979882.229 2207291.981 PE(14:1(9Z)/22:2(13Z_16Z)) "PE 14:1(9Z)/22:2(13Z,16Z)" 16.888 370654.2427 742.5394 191275.3014 152924.9434 468944.0848 179068.4301 3801886.618 164995.0272 1036350.709 559964.8914 3535261.703 185205.0074 569416.6736 146045.3443 1355490.173 213380.2698 617672.2966 159064.8153 201781.5567 188528.0611 155625.0481 165534.8217 463162.5364 5431881.735 163732.0696 291674.3888 187075.9154 397758.1779 287237.1948 154824.7409 177102.1621 387220.2343 156263.6266 138798.2629 1747021.979 4178348.568 10790101.18 1027736.263 213284.8007 401392.7088 10842368.46 2764302.175 2726598.694 260934.1584 171217.5885 126033.0317 4033124.659 624956.2039 2629017.22 121755.8452 166182.3623 197471.5098 3335055.657 1017274.834 343582.6462 PE(18:2(9Z_12Z)/18:1(9Z)) "PE 18:2(9Z,12Z)/18:1(9Z)*" 13.177 23833764 742.5399 42140052.42 16914054.51 12278774.99 734035.5704 45569878.03 12682797.85 22192813.09 2966214.525 3187630.559 2253831.332 12164848.98 8015468.147 1375399.98 971739.9076 800237.2603 807760.9948 8466568.712 1092141.148 17983553.34 1672939.44 1132250.508 47107890.74 1706384.174 1045574.001 10409630 29720504.62 883469.0365 15224736.23 21991242.51 8834558.394 805361.5528 722294.0057 822656.8006 23492054.02 43496445.15 709594.9897 20218873.55 5345831.598 32002982.74 21627006.86 21582373.22 5643667.116 2928056.465 44674873.68 12945933.21 4596630.485 28270649.74 30430375.15 3317526.055 20650384.6 949715.9393 27154468.52 16675788.76 Penidienone 14.873 5237980.89 203.1433 1389548.009 1340768.714 1981802.774 9585562.001 2490638.3 1887347.116 7640451.366 4836577.279 5682281.084 2908018.948 9751600.948 3332534.525 1561229.289 1685947.726 2079509.724 2289009.251 8317468.127 1852272.392 3974024.382 3244166.279 6845740.704 4121086.844 4888909.469 4389349.146 3703981.229 4034157.732 2222975.539 1817450.244 5481793.714 2719091.369 5934293.962 1980649.517 1233568.912 2014524.243 6875100.586 1881367.033 4546734.521 2007651.965 3831510.581 3413209.719 3027114.786 2271895.05 2066697.415 1781519.547 4194556.212 5918167.711 3140440.71 1341218.351 5495948.247 1202037.878 1985362.604 1765978.775 1505882.615 PENTAERYTHRITYL STEARATE 15.069 150149.0096 385.3324 423863.2176 278399.3302 3903905.69 3647491.861 125815.9848 2361186.784 2856850.097 1386043.234 2833897.115 2743356.896 254378.916 1615648.376 172510.2674 236055.7557 3306462.35 2619414.205 2889525.272 248169.2834 889836.7761 992425.2322 568949.2484 1875101.511 1383748.063 1512280.587 2305815.514 2000629.622 1799985.291 2864618.084 195218.9234 1898725.395 1959430.356 2384000.749 1402377.602 4624597.231 354239 2660951.47 109501.234 201640.7965 396243.6864 493087.9748 2858341.811 3239210.886 557850.3276 1122148.504 165261.7227 2887065.457 789648.6806 1166322.864 480759.3388 664608.059 764275.3471 1155405.62 955566.383 Phenyl(6_8a_10a-trimethyl-1_2_3_3a_3b_4_5_7_8_8a_8b_9_10_10a-tetradecahydrodicyclopenta[a_f]naphthalen-1-yl)methanone 14.896 3357351.313 363.2692 210935.6303 213136.5289 209566.478 9255031.19 254485.5758 713994.9605 531353.9891 3230038.471 175573.8088 2041583.745 9510669.126 1441031.031 364066.6477 218861.6037 252753.0394 1182487.081 8990637.472 271649.8573 3546546.32 1019455.657 6450378.234 1235220.183 1141784.189 1187593.529 1314094.989 3261934.538 796383.6232 732451.155 1121076.166 1846985.845 200759.0633 526291.5122 273510.4031 383124.4113 530955.8424 771887.1562 3231251.409 272164.3307 3322053.575 1907757.263 1466543.206 626276.5246 1006741.251 345189.8517 2811368.238 261393.0672 769009.1889 186825.8303 1128333.963 204491.8308 258582.1352 182116.4367 408883.1549 Phenylglyoxylic acid Phenylglyoxylic acid 1.505 47490.8044 173.0214 105562.8127 110408.1304 3639806.147 3037493.329 55844.2099 977124.9307 813166.6739 222390.0427 1461438.495 1890855.054 41129.2132 287133.5107 41083.0006 76554.8888 1618713.444 1466328.437 3007494.016 56189.0504 418734.3689 766382.8046 443589.7833 2741740.576 1195753.85 809142.6156 1070976.562 692107.0634 1126662.98 2187684.102 43936.1606 1039815.956 316974.1832 524690.9986 847168.9675 1704176.053 1168664.429 615034.6894 33369.8221 34158.9438 494623.5717 583215.4822 2038182.17 2767656.423 630263.668 561907.2999 52236.8231 2393529.434 441280.2724 814187.5139 108956.7854 265732.6461 499918.1622 393903.7158 410486.2233 Pheophorbide a Pheophorbide a 13.548 1428537.693 593.2773 2097217.198 1633301.823 1012654.309 1005805.039 1185358.548 5939899.626 304952.0638 388572.6887 824069.8429 899463.5383 2516341.171 842649.8113 18099696.42 6857893.67 6771361.002 4886758.667 1838250.181 4775680.739 11218307.03 3305868.071 593975.529 306365.4792 684430.0084 7161401.997 847843.8199 305272.2975 926358.305 663717.7431 3713059.27 475544.2921 1983310.898 2100802.138 1431011.825 1165709.471 663608.3307 1779665.704 8094246.7 11354317.4 408984.2533 483194.5299 915339.8557 1858343.843 868229.2956 1201876.838 795347.2218 441171.0458 1179183.172 783679.1589 617710.3973 346412.424 583312.1389 315582.654 1220100.712 Phosphocholine Choline phosphate 2.451 263380.8434 184.0738 193235.5256 139483.3193 396798.2729 120336.0682 210046.105 2125194.65 16246360.57 5931153.856 4286230.21 4421822.385 216549.3922 6165497.537 222202.7007 1348440.136 4093188.311 3631264.76 194096.186 1251407.975 149674.0526 193671.5087 172890.6869 541224.6049 303330.3846 212313.4825 19089189.19 12939585.72 307408.9122 993530.5979 225436.3742 16903050.27 7432709.552 10348688.81 2104171.218 4571094.055 188512.6343 10253154.42 146378.8842 233926.2533 207370.9541 286644.3524 186513.2403 473761.5569 1182917.512 1041023.525 211250.5347 164744.8566 235726.7038 1169974.164 179280.6451 153808.9514 194436.2199 150105.5708 265403.8742 Phthalic acid Phthalic acid 13.122 1796090.496 167.0342 1070940.308 1905126.633 8155436.702 6696202.088 737076.1203 2531960.621 4456876.275 2990265.843 6027789.749 5221865.219 1245827.925 3040780.057 796564.6598 2089419.845 3438904.38 3385881.391 6924407.719 1491019.934 2912753.468 2958250.864 2325275.848 5617033.721 3378652.814 4088756.551 5174940.936 3280184.685 4136380.334 5233393.645 1509174.998 4225369.353 1986030.425 2971640.887 4267760.063 6406383.062 2187060.692 3431923.629 583436.9807 290892.3264 2660200.305 2528310.376 5478344.625 7849972.226 3107211.716 5271788.22 2030704.295 4703933.53 2932707.652 2924383.613 2318025.228 2228487.807 1505182.924 1209821.451 1450768.45 Phthalic anhydride Phthalic anhydride 12.932 164467282 149.0236 75966100.27 105774459 618043333 555928023.6 124848710.4 188691433.3 452739544.6 349239662.1 367361016.5 428525308.6 92257413.07 235700539.6 101282655.2 120070977.3 348571681.6 289725678.5 421504718.2 123164278.8 192743403.3 259094811.7 157256586.4 390459947.2 426099986.7 281301061.6 376421575.5 254087377.2 490107326.1 580770417.9 151119375.1 351661217 223143204.3 256917408.8 352268566.8 842185249.7 221529630 384259487.4 89752648.55 93793585.05 145101845.2 111987170 461523127 524915298.9 275927095.3 255159271.8 102753402.2 440684250.8 149581565.5 292093173.7 95590595.36 155372533.4 134303204.6 220783828.3 151823530 PI(12:0/17:0) PI 12:0/17:0 16.255 214516.8734 769.4878 513213.3925 546071.8848 2945254.581 2344703.597 224724.0165 1421919.676 1895760.213 1553752.62 2241851.32 2029110.549 274320.6782 1780310.732 529886.1235 1540208.124 1917227.433 1927787.188 1912995.334 1593317.605 954114.7072 1042444.189 620383.1176 2160979.665 1291327.212 1133373.314 2242019.078 1879672.006 2010422.109 1915307.684 257023.8184 2395480.807 2212401.899 1944747.32 1546249.057 1987580.66 1591348.786 2529225.445 1104345.71 599968.4201 765549.1131 704934.1281 1543926.381 2158067.564 3125716.267 1212900.37 310829.2381 2146113.299 1401618.104 1397946.368 1085685.952 1254119.35 1529228.61 2022657.828 1019060.029 Polyoxyethylene (600) monoricinoleate p-Acetamidophenylglucuronide 15.364 13219149.01 341.3057 47925208.8 61769869.38 255745539.5 225813442.6 12539251.48 192535323.5 174001456.5 102197609.6 199566256.1 205433855.9 14171539.06 116206344.9 7607922.167 41959272.31 194159444.5 177833162.7 205473188.2 48085093.59 94465041.65 111537144.9 70817236.67 209233947.8 138446807.5 113400517.2 191507068.9 158544215.2 152359228.4 184770417.3 15941710.05 167416257.1 139039350.4 149348919.2 159799743.5 189706292 96596243.59 139323733.3 11481219.47 16961735.66 57257181.09 60140042.96 184971989.7 233460858.5 101024815.5 134479575.6 36200123.71 198227873.8 89190877.32 127401519 46176028.06 89508086.29 98234029.99 121214681.8 81768968.63 Preprasinoxanthin 14.305 592427.8128 601.4256 1524726.829 525505.8696 8992345.171 2658741.413 612899.6339 2152548.528 7020321.309 3011996.288 643307.5959 7923539.244 731921.5265 3977146.675 674885.084 561369.4602 4020155.494 2877406.268 1062478.888 599131.4002 796298.1135 1494109.875 635253.1124 1059964.01 2954563.405 3326002.58 8944936.723 6979403.59 714052.74 2263566.356 679726.1934 6553838.047 1078013.846 4329760.911 4914256.544 9085371.714 7059153.33 1967731.351 660779.5681 776952.0544 521688.5356 513947.5294 3589742.43 5387214.995 1785593.329 905386.5372 670807.4141 1775623.318 618888.5423 5474234.254 490715.337 601013.098 614860.2725 2424288.331 652752.3782 Propioxatin A 9.899 98701.1875 372.214 69885.5646 73221.4049 73200.3628 63582.4341 111403.4594 52535.6701 48313.9135 59017.3682 58427.9321 61008.6992 100464.6181 56475.6166 92689.519 76664.8494 65297.0436 38115.2897 61934.0164 74547.4039 72131.3262 74194.0926 71721.7013 61223.9051 77740.5159 72021.7095 47637.8273 48498.4265 33855.9628 42359.1738 80372.3527 50253.9513 54559.4523 4191890.009 84686.7717 60978.3083 513571.9133 49356.8495 76417.4725 76989.8098 76746.7933 75920.6068 52730.4435 55828.4053 59097.6816 54094.9435 97060.5095 92285.5223 76851.148 52435.4415 70779.1466 68410.8667 80604.5068 61236.5668 80124.1283 Propylene glycol dioleate 14.245 13103050.07 605.5515 9880247.836 5733758.784 4144351.552 2149635.87 15859019.81 5089093.609 6591234.432 2508283.033 3548092.327 1009036.374 8639743.736 3124596.969 3927863.465 3345325.877 4427292.827 1584112.201 4837922.391 1787070.985 7300742.345 3938607.978 747359.354 7414501.557 1117902.287 3423406.169 3448449.203 7878954.288 616063.8167 1926634.035 10646739.82 1689936.647 3416633.585 2649198.434 5355301.321 6537107.492 10058868.75 1080184.02 9102733.809 4883509.824 9554877.679 5183771.635 7268059.232 6712149.677 2675941.975 6072278.059 7546318.031 6346983.126 8541520.937 5291462.086 3309784.32 8381775.598 2302015.296 7014979.598 10681073.16 Quiannulatene 16.152 208379.8543 351.2693 421788.7111 143481.6235 1081174.552 1013820.729 221062.8899 1339419.244 2342979.123 963920.5647 1520599.177 1753006.801 225552.2972 808559.738 435683.6429 192044.4919 2770566.008 2265112.914 1569784.208 203549.4383 144570.2671 326483.2145 182924.0705 1375423.025 1555578.333 436409.4822 3349752.045 2466823.74 1168513.031 2580420.356 225404.8591 2875264.408 1065087.875 1640441.361 1107109.861 1842485.007 652652.3614 2000226.034 403480.0478 521407.867 150082.738 218866.7565 1976627.614 2574514.113 1757013.34 2233177.451 190509.8531 1383788.855 353282.8467 2733023.754 148966.5145 153654.9561 185667.0682 233863.6158 232433.0365 rboxamide" 13.496 191687.9789 674.4643 984715.4047 1587657.576 12960876.87 10755384.17 153812.5179 7080563.883 13595461.3 4737706.491 6441559.079 6344195.835 198753.5132 5389476.078 197666.2899 754100.914 12914195.51 9651328.007 6351953.119 638473.9474 2309917.977 3458093.513 1424058.901 6347423.18 4229528.377 3538529.934 7310221.504 4888981.901 4781789.09 6473097.505 196983.8397 5603076.438 8259287.003 9292682.488 4025146.9 7613444.508 1516409.146 9096397.631 214826.9127 174411.3473 1231070.158 1386605.938 8022584.56 8053565.64 4836304.258 4129160.818 501034.8732 7226274.705 1169811.021 5203814.487 929808.1374 1558191.811 1772191.867 2359971.314 1523405.158 Saframycin E 10.178 52084.9607 556.2303 51500.8065 52061.0773 13636758.57 12992508.77 84145.5221 92581.6402 154067.1315 54480.8661 157967.8888 136322.4388 78576.2442 47431.4412 71148.0035 65975.1634 61225.4594 58098.4235 11811147.36 59871.5001 50467.6791 52789.3931 3276234.333 16302077.37 59398.1469 92127.3168 152749.1255 90077.2426 43282.9864 107329.3192 58016.4909 160835.3643 47346.4948 40916.9087 75200.7712 39827.8364 25796479.05 43997.5412 63821.9528 68687.4085 13191143.66 11712103.52 56056.3548 44689.5529 41355.7287 40008.5091 56691.5721 48210.5812 45909.1624 43150.1345 44336.0551 48943.1035 44933.4322 47345.8847 38716.2166 Sargassopenilline E 10.084 736967.9818 321.1317 7348684.12 9677454.554 54139263.67 52463840.3 581196.9665 50275838.54 64911206 27336005.27 29797151.41 32735797.6 922484.3139 31944894.27 1358272.905 5340126.775 57406157.01 43975835.71 29705633.79 5576434.933 11336451.2 17361131.46 9066033.969 42100163.78 21644846.31 24441336.68 44356930.38 29148149.74 24039056.74 36236239.85 710001.0408 37628516.18 44357237.97 49719870.14 19710492.1 33032474.88 16523861.66 51151312.99 693775.3127 1647118.897 9324463.78 8470805.855 30194091.93 40949590.92 23943667.83 21716607.74 2797098.759 38933314.89 7104687.831 24873172.89 3954542.651 8468472.856 7023518.699 12116780.04 5475248.163 Sarmentosin Sarmentosin 3.473 98419.8833 276.1086 87939.083 318963.0983 2137345.381 148792.6383 122670.1717 1032706.881 881671.1432 235029.2889 206160.7929 276045.3891 93298.4506 1175718.952 97864.5151 168553.0242 1204425.475 727238.5832 207576.7523 352552.0103 341079.7219 46412.1469 178577.8604 963345.8773 103712.1484 132925.6526 467383.0287 73917.0901 58760.8131 78746.8688 88566.9332 2162269.316 56622.3531 1257457.369 123574.7655 276473.6516 160180.9083 681093.7061 77071.7854 94179.1756 39406.3138 326661.4987 62399.1818 1960938.902 60472.4776 816169.6897 106127.3473 94643.6542 84473.5687 870440.5544 61310.8178 84446.1242 77230.403 157154.8981 74102.008 [Similar to: Milbemycin A4 oxime; ΔMass: -181.0576 Da] 13.883 220588.0427 375.2693 697758.3124 339773.5672 3947386.242 3385488.259 221318.8666 2439297.874 3488167.613 4172503.821 3125717.071 3449240.409 172874.0818 1679788.331 267863.1114 196438.8969 5872715.775 2908709.027 2313148.015 311604.3066 860027.8032 1144074.043 394793.2809 1335522.805 1518366.174 2416358.733 4625965.481 4339629.673 2268945.034 4767034.368 223948.5136 4257220.376 3358624.078 4687390.942 1652518.298 3621450.021 576521.0761 5113791.626 142866.9304 173336.695 187296.257 226572.8308 2113914.94 3164409.188 3151335.109 4635973.526 188230.0469 1964400.082 642344.7588 2364677.403 1383294.088 1193909.396 881517.0543 3861866.083 790933.8045 Sodium sulfate Sulfate 0.361 1439231.083 164.9208 694739.8365 695184.4179 358585.0488 454721.6112 587745.1179 282514.3161 468081.2405 649364.1505 375520.2428 207003.0383 565630.7733 403223.339 6819685.127 1910486.747 328722.4113 384993.2313 597339.1081 1465379.313 643271.9288 337264.644 432109.5209 590329.4268 396710.1184 266565.944 512457.4685 535173.9971 748947.9272 568923.2395 431560.0588 849482.8947 772883.5238 790021.2873 314883.7627 450324.9998 1239898.719 443753.7835 419958.5095 990532.3798 681573.0815 296285.4776 407522.7196 104301.8215 275316.4127 506556.8315 779679.7493 499893.7543 367699.4866 1037771.435 536057.8236 469833.81 636918.0273 668293.8814 747235.0766 Spirotryprostatin G 9.146 50241.3931 444.1777 50325.4294 42877.8796 5344994.027 5187707.026 51816.234 246908.1674 100136.8607 29836.2163 65751.3054 44251.209 52720.0341 37305.3697 56073.0052 52800.5998 37350.6967 71765.0301 6398565.824 55423.6849 83209.6522 133199.3787 1557174.011 6066470.515 38772.2454 206019.7103 98205.9394 35340.8576 52097.074 107767.9247 50074.638 75936.2239 39782.8317 32063.5255 38789.7307 44223.0264 6992108.996 36698.7498 48644.9189 63115.7617 3603354.605 3083594.004 41928.5558 67383.5452 34063.5237 31364.9412 55742.776 39729.4086 54418.4601 38124.8058 43924.4929 41861.2879 45912.272 41355.8758 44202.9594 Subergorgiaol C 15.302 14246239.13 431.353 5365150.36 2136425.89 630002.9503 9762839.678 545364.4245 1984778.557 694797.91 8511651.136 271988.0151 3942966.413 5794106.26 4080574.897 948064.1716 577233.8168 899324.2669 8101965.627 11027725.52 2298578.517 14373970.49 1958045.484 37215935.68 6780626.358 4848624.153 2518346.768 2147719.556 10780773.2 5864794.511 4733316.4 13823009.9 6490057.091 1347755.696 3834782.365 1048637.7 1682304.618 28735473.21 4501937.896 3189033.572 612205.814 23271919.93 11850919.31 8096078.063 664231.519 2750694.068 3780369.469 11278125.65 1260916.705 3595604.757 2966133.593 6993155.225 953750.7078 1686755.559 859243.6049 1169475.4 tert-Butyl (1-acetylpiperidin-4-yl)carbamate 17.876 558432.4003 243.1709 618142.4246 537684.5956 368673.7489 392456.1724 658936.3236 349251.6579 310823.9779 401620.5951 357754.5041 343300.3347 691871.5674 3781597.031 1022429.486 755623.6979 564622.6834 375003.4161 263958.8644 721439.8767 522988.1017 1133827.469 516274.3173 495475.159 418492.5575 523657.9435 336147.6806 396958.5827 494737.884 284297.1892 787046.3511 372301.0126 538699.0437 366853.3688 518042.8674 477123.0314 3151738.407 426128.0408 3884707.845 618690.1204 527802.0326 869586.5831 418457.5049 552505.8976 414301.3325 488156.2145 708237.1049 4036448.466 555526.0902 531985.1118 664987.4449 446744.4929 662108.6035 479449.0241 569759.3901 tert-Butyl 3-((6-methoxypyrimidin-4-yl)amino)pyrrolidine-1-carboxylate 12.593 6295216.17 312.2024 6045570.725 7527151.187 3665510.72 4250499.496 7883538.594 3249292.004 2525781.714 4613662.715 5682659.317 6505587.26 8001750.606 11649706.33 10283788.05 7793527.187 20522358.39 3951220.995 4950271.561 6689104.805 3359090.314 4707360.097 5777346.182 3754772.283 4962363.831 4862925.876 3022605.614 4712780.592 4919174.186 5007768.857 6387515.927 4220162.892 5812379.011 21196075.72 4100814.89 4511007.711 3230893.811 4614999.589 5918850.283 7105839.88 35993906.1 4321510.552 4494219.088 4924974.753 4602988.287 4401689.576 7590035.368 4895485.058 5266057.787 3991069.891 4485636.276 8124144.625 5922172.401 5631448.66 6321736.916 Testosterone decanoate Testosterone decanoate 15.607 356353.0271 443.3532 299279.2645 251188.0484 2655585.672 261198.4041 320652.6243 210489.4571 1227319.832 176538.1355 228440.8953 218110.3258 404359.7363 231970.5638 370142.0664 285974.7014 1513522.159 199946.4468 2390470.043 295028.6269 255233.8423 255228.9703 371057.0284 377685.5787 233103.6551 337788.2201 154956.4621 7705839.724 220234.5972 212973.6593 355800.1366 13502757.76 223675.6233 205854.3083 217384.5297 345325.3158 655730.6778 169939.0097 356421.6324 426303.3073 468329.0821 436399.62 8193756.888 2155681.6 187427.9327 245099.8057 418348.8743 333318.4225 267334.2649 206508.8431 297516.8926 224253.3126 264623.1695 213003.9782 321936.4521 Tetrachlorostibanuide 1.6 33130.505 259.7733 262561.3405 392783.5695 354984.5975 459904.7052 32243.4312 369089.4464 354479.2546 651314.2497 549313.6863 463218.5384 32402.8404 631025.8287 36433.3351 45704.1494 296246.8853 489368.1864 553363.055 27933.6475 340969.6298 647881.3383 828396.1546 832182.9403 678013.33 702880.6114 770265.4983 298003.3273 711561.5113 586948.5703 30492.8867 802923.8149 570648.7173 442512.2031 457599.2833 688270.503 1011638.287 391961.6219 28345.2606 48959.0638 972647.3844 1062927.45 667904.097 1099893.963 605472.4211 608910.1651 82009.2119 935328.2868 450548.1766 623505.3879 45254.933 273856.4547 528881.3701 509951.995 392241.8594 tetraethyl [2-(1-oxo-2_3-dihydro-1H-inden-2-yl)ethane-1_1-diyl]bis(phosphonate) 12.03 496913.8225 465.1812 290572.3028 1122659.376 5893814.359 7042562.967 859233.8888 2596056.854 1622974.506 630700.0666 292179.5825 425186.8515 349049.0292 494595.2113 616463.8124 528650.324 5051495.721 4759369.44 986216.512 272722.9792 169837.4443 412497.2132 325732.8153 1001867.407 1013453.702 139023.294 334914.4738 254562.8566 1846162.703 3091871.257 494220.5014 481193.9859 792131.8497 1585562.204 235080.5696 529898.4801 981057.6958 1300278.274 815018.5971 341109.5506 416725.5053 837410.1199 915884.4501 1001050.836 326823.8215 208705.6035 508560.1399 1169920.681 940455.2524 287962.8465 726406.4318 615569.9043 421236.3907 234118.1616 489184.9009 TG(13:0/17:2(9Z_12Z)/20:4(5Z_8Z_11Z_14Z))[iso6] "TG 13:0/17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)*" 15.376 6469430.921 823.6831 1256496.279 4878208.616 2479220.715 819636.5619 7455960.289 33935504.43 3760691.003 4071036.211 3168702.356 6545467.094 4136169.9 1852177.338 12788569.71 27819744.56 4333098.213 2738787.662 443207.7312 21506820.37 8323332.8 5548126.34 588426.6251 1310434.878 9704515.142 4126227.711 414079.5627 2402953.167 7491352.429 6103291.992 3283334.604 1078177.606 20210885.88 5618390.439 3505974.911 3549853.264 5450676.793 27260914.07 4280136.183 5435859.371 2668496.728 1204255.838 5892074.685 2989433.844 822269.4978 2856888.47 7030068.98 4159807.413 8398165.849 3331995.066 32364050.7 10302556.42 20277559.09 32325320.13 19734420.45 Torularhodin 14.884 31209991.1 565.4053 5486288.31 4014860.005 8645243.194 80538174.57 5220228.904 7082508.015 7347199.276 35573217.22 7804892.739 17458074.57 78320861.94 17862660.24 1381411.78 2969938.236 8416968.038 15224515.27 75233640.46 6179012.034 33485713.6 14560800.95 62340691.59 16449689.75 15789599.64 13481369.19 16818772.78 34961528.67 11521741.39 9651997.838 12882044.17 22440148.84 7886166.345 12571164.51 3904982.071 17038195.02 67914741.37 13530008.85 34299562.44 738263.6039 32620817.74 20782321.22 15903381.94 5694311.683 18106964.41 7501784.619 24930668.36 3781719.05 10148461.1 7236067.967 13471609.27 6400736.99 7915028.373 10012928.7 5075947.244 triazolinedione 1.274 100082.1586 100.0139 77066.342 77569.3371 101439.3007 25786.5827 132303.7915 29050.8533 33436.1177 22374.5775 95840.9274 22941.7124 158982.2259 127017.662 92925.8175 62157.5761 39897.5379 33197.6241 32549.2336 162270.2551 88902.2391 18466.3738 125655.2001 65871.0129 61481.7163 42641.9051 34063.2457 26835.9904 51747.3657 133058.2199 65857.7531 48177.9717 41456.6936 85071.8886 35540.6285 31406.2887 33536.4055 69897.1487 36195.977 210113.9115 74091.2966 174518.6688 48159.3115 656705.1738 60067.7653 44317.2741 82170.2725 50262.6892 126173.7985 73420.307 117839.6887 41924.479 100597.4606 20150.5576 50714.284 TRIBUTYL PHOSPHATE Tributyl phosphate 12.486 1621116.033 267.1725 1049570.098 1666822.603 1567759.851 1193358.353 1428002.045 1293504.309 1866780.954 1484400.774 1257167.859 1792851.279 1391208.814 2440046.812 1962654.297 1968620.844 1006888.166 1133965.291 1106839.084 2180389.913 853144.4073 1373427.223 1221275.023 1117694.184 1709724.671 796800.4499 793017.3953 1088283.567 1231389.907 1888582.366 1096688.115 1197251.315 1322601.29 1374364.242 985011.4078 1168199.862 866368.1228 1298142.74 1405175.749 2236465.813 1765787.011 975817.9562 24277030.4 1289533.533 622692.3134 844299.6104 1551887.436 1360635.282 1468436.318 1061785.013 872196.669 1778372.548 1156014.174 1595701.669 1049975.438 trichloroethyl 0.398 5782189.289 131.9301 2323587.382 1526003.691 2796320.583 2444582.457 3020034.148 1461204.47 1246930.732 1803760.314 2074614.767 3199065.713 20848618.01 1713736.962 5092654.858 2316853.014 1554630.356 2314999.458 2516082.291 1858575.211 1650956.812 2051904.679 2727407.564 1796940.245 3143993.747 1725408.773 1357782.873 1827856.055 2564290.872 2429204.975 8362464.733 1354610.589 1946511.33 1741296.37 2076680.575 2085209.435 1679128.931 1563959.505 2923149.72 3403653.849 2558364.862 1999038.379 2900506.117 2064266.014 1603994.587 1450994.242 14935245.92 3001453.216 2396728.97 1291464.522 1688467.908 2204457.184 2696249.458 2267914.612 3160337.275 Tripoxyrollin 13.952 17383349.94 589.4836 18298866.67 1006103.485 223509.6483 8813892.089 9666571.332 1726631.037 6936548.545 19881021.85 214429.8644 15425779.82 28328951.07 7881385.433 392665.6337 283135.9458 193166.1897 16374351.11 5437461.935 2230404.727 15155859.38 1555422.264 6764096.108 2355832.754 16909947 6986128.252 6860712.591 24013764.62 10482205.5 9839476.542 34508336.98 13611486.23 2472263.795 10750031.88 352539.6966 8044888.307 6257783.055 12883051.6 9711944.512 366665.5155 2168211.141 2602810.268 16192099.97 446216.268 19963305.39 14239101.79 17476397.69 1129266.434 18900971.04 10599774.81 22617413.55 4391035.164 7895098.597 7188159.692 7088971.416 Undecyl 6-(dihexylamino)-6-oxohexanoate 16.137 538444.1804 468.4425 1066265.728 443152.0511 471275.2758 461916.1729 1803278.108 378177.2146 349219.7504 337680.2424 437550.6424 376616.7304 877591.9559 1834175.673 1125786.957 513841.5877 557061.8037 460951.9606 566689.4852 480090.7632 430113.8257 980668.3989 510413.9732 1196338.997 2310646.1 501523.9962 432932.8865 437228.5176 3045595.896 700093.9626 4597488.805 1159255.647 422336.0304 400651.1725 3439733.149 421784.4819 1686424.376 490521.8442 2346273.927 1347294.5 701366.2798 571066.2056 1612816.36 432498.0279 2474949.208 1046053.831 2655591.134 626650.6954 2857560.96 481333.9218 384922.7798 427522.8195 5620939.763 409299.1232 869127.3563 Uric acid Uric acid 2.263 79768.1981 169.036 49100.2264 44347.6366 55771.6322 53319.3335 66782.5256 40158.4583 128942.4444 40816.5087 57034.2622 48635.8319 68850.1951 37838.0304 73686.1656 57751.7045 42770.8604 124296.5928 56028.1521 56674.8442 57327.3702 48199.289 53665.9117 51156.6895 40281.1105 67503.4206 33183.7753 80626.4475 47789.6479 37815.4085 71675.7419 128804.7659 43617.3068 43200.8071 115420.811 248365.5042 41629.6693 39087.7359 49696.4886 74375.033 65931.9821 60637.5309 41103.4364 116396.8173 36609.4619 30729.4859 56132.1284 52379.3459 1397192.322 34712.3986 47215.092 39882.7314 1641491.229 43525.2301 1498767.759 Vermixocin B 13.497 193083.9531 415.1762 196857.1003 288406.2254 3835403.708 3246102.396 154932.6627 2156037.775 3511500.177 1274232.111 1958932.276 2004994.495 200200.9424 1617918.472 199105.8013 143954.262 3839342.563 3058687.727 2047871.875 123402.7131 721164.446 848322.6466 403599.8477 1854490.203 1168294.977 759450.3057 1847889.393 1131937.671 1594888.449 1840619.807 189785.6688 1452571.86 1923685.018 2395391.992 1348694.541 2155994.053 464608.7869 2590915.856 216391.3969 173273.277 314003.7597 232602.0427 2001117.161 2125661.744 1371964.97 1174337.766 210864.5282 1853551.486 385346.84 1187770.165 118952.964 307837.3199 459902.1444 488522.7484 182734.5991 Xipholenin 14.324 286322.2195 597.4317 255565.9669 223437.5696 6796512.059 4683829.67 245313.4673 6160049.657 12880681.12 4087183.235 11919870.69 13844136.04 358512.8802 3955818.757 330575.0501 274972.3499 10842282.84 3942490.777 1912955.109 293469.0621 623512.8344 1415583.366 311162.3511 1715891.933 2407780.872 2950337.156 4824528.025 7531241.254 936412.2537 2799558.854 332946.3427 9039126.74 5396889.82 8048301.933 6563878.221 9181973.471 3457744.172 7015633.619 177112.818 380569.9228 255535.6725 240827.0763 2085205.073 4100977.032 5846268.166 7566833.263 292048.5516 3246945.758 1529637.641 3226928.046 703527.196 4711693.26 843207.5929 7078458.039 1151299.217 (±)-xylaridine B 13.518 21242.1281 369.1818 118788.2749 217072.0214 63325.7619 59884.1137 21515.8792 305360.0942 45382.443 79339.7592 96595.1987 86042.9552 45986.3466 232727.0527 127004.4516 19922.6469 105279.2698 100367.724 132502.2222 37316.9846 94451.5063 151301.0829 15735.2922 324482.3735 146314.7223 167519.9034 233896.233 218877.2379 147698.6051 168267.7216 19682.9616 195956.5233 170429.2148 195593.8963 94370.9242 151523.0396 351991.1804 159230.2023 18535.5767 40226.5799 106370.2834 151752.9029 224636.3687 297544.1357 181509.1037 183542.3791 19699.9015 257337.4223 40553.4299 408370.175 68026.1632 51259.0307 17790.7359 219436.6474 28978.6142 Zeranol Zeranol 13.5 209034.9901 323.186 1065713.4 1220951.397 7640412.111 5788705.74 363236.4942 4260399.854 7393765.459 2807408.478 4013386.742 4357577.076 326610.8572 2971150.842 207399.555 438585.1114 7433991.821 6385085.443 4164287.779 747646.2499 1567302.193 2100996.85 838212.9171 3969310.264 2667247.429 2116765.316 3781865.764 2718594.255 3386081.19 4771469.209 196357.839 3677750.362 4376353.676 5214376.222 2804212.079 4770918.243 1380598.017 5847889.769 223884.9084 530850.5186 709452.9885 820544.3131 4188832.288 5785645.671 2961530.607 2599029.602 453201.8916 4015391.372 1098837.688 2885443.877 753470.2882 1116044.157 1067375.222 1365033.135 1199847.613 HILIC Metabolite_name RefMet_name 3ND_1 3ND_2 3ND_3 3ND_1c 3ND_2c 3ND_3c 3NL_1 3NL_2 3NL_3 3NL_1c 3NL_2c 3NL_3c 3NR_1 3NR_2 3NR_3 3NR_1c 3NR_2c 3NR_3c 6ND_1 6ND_2 6ND_3 6ND_1c 6ND_2c 6ND_3c 6NL_1 6NL_2 6NL_3 6NL_1c 6NL_2c 6NL_3c 6NR_1 6NR_2 6NR_3 6NR_1c 6NR_2c 6NR_3c 9ND_1 9ND_2 9ND_3 9ND_1c 9ND_2c 9ND_3c 9NL_1 9NL_2 9NL_3 9NL_1c 9NL_2c 9NL_3c 9NR_1 9NR_2 9NR_3 9NR_1c 9NR_2c 9NR_3c QC1_H QC2_H QC3_H Factors - Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen deplete with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen limited with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:3 | Treatment:Nitrogen replete with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen deplete with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen limited with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:6 | Treatment:Nitrogen replete with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen deplete with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen limited with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete with CO2 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete with CO2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:9 | Treatment:Nitrogen replete with CO2 | Replicate:3 | Column:Hilic Sample source:Lab culture | Day:NA | Treatment:QC1 | Replicate:1 | Column:Hilic Sample source:Lab culture | Day:NA | Treatment:QC2 | Replicate:2 | Column:Hilic Sample source:Lab culture | Day:NA | Treatment:QC3 | Replicate:3 | Column:Hilic 1_1_2_2-Tetrafluoro-6-azaspiro[3.4]octane 10.045 2538297.051 184.0738 8678171.152 4253319.621 676641.5793 1922802.527 10476066.4 6522246.465 99705946.83 23909486.51 4660581.343 826854.8307 17446725.76 38866330.99 55074315.74 28629467.21 11622371.84 10069347.4 1935658.8 36108243.45 566750.9002 880938.9089 972131.1375 3672651.372 4831788.115 2052236.94 24612146.63 41253195.4 4665875.57 4163449.1 10032472.09 39025216.32 29044376.9 19507858.61 10278990.6 12271448.44 1226706.122 23541487.2 1316454.299 2960376.063 3406852.795 1714221.408 472888.7467 1562515.028 6709537.348 5976295.1 354544.4798 804792.1157 3899220.196 6478405.488 916581.0028 462797.403 2595107.649 664415.1221 3804711.26 11-({3β-[(4-carboxy-3_3-dimethylbutanoyl)oxy]-28-oxoolean-12-en-28-yl}amino)undecanoic acid 1.314 86106023.37 782.592 66086002.24 41643475.81 49610406.96 68218164.79 51680436.04 50348662.48 57178650.39 32235684.05 31381659.02 11505037.27 56062827.32 44325555 64572331.44 39024689.53 54655207.06 56719933.26 63392731.3 53271334 45946828.15 56609797.4 42676902.97 73304327.4 67993251.27 67504834.04 43200808.41 66529684.9 76335161.57 68462745.5 49509278.16 58757994.48 44395436.85 40942272.35 48513718.34 62914176.03 58826060.96 45307589.65 57999869.9 75778889.34 108086412 62409362.6 71154076.91 59826325.31 67149033.04 66657298.58 75533284.94 73950412.05 41949563.67 64202536.53 9651905.125 54859369.11 41468276.91 74573217.9 56767387.83 11-amino-undecanoic acid 11-Aminoundecanoic acid 0.622 258316406.7 202.1805 489427335.5 369586928 144885429.3 232583810.1 894606625.2 393925893.1 813634638.4 401780216.1 615533224.3 345054182.4 231686994 529558629.9 669749529.4 474830957.7 205663277.4 202641292.4 161628365.6 570932814.7 537590677.1 653481443 135048776.4 229308045 637394611.3 831933876.9 104116272.5 128789120.4 603995774.8 571109544.2 199840793.1 124467450 399557049.8 348018627.6 198183524.3 202940634.3 301644654.5 398724750.1 363967337.6 543022502.5 469069086.7 330549401.6 809665829.1 393350032.9 344441214.3 328507055.7 829030803.1 930010460.9 404488835 310152494.3 135013614.3 510831379.5 384346890.3 626670411.1 382217330.1 1_1-Dimethyl-3-{2-[(1-methyl-1H-tetrazol-5-yl)amino]ethyl}urea 0.594 7127722.255 214.1418 10447871.9 9033721.354 5868688.923 6767945.495 5572005.566 7659350.865 13958112.19 9287749.117 3631828.09 2357929.529 7429560.643 11583766.4 5765570.137 4837716.328 7424306.179 7206832.505 3324171.181 5478184.716 6517235.073 6912525.432 2899359.548 4228750.321 8683911.611 6632384.66 2772099.376 3305802.205 9514314.126 8492509.802 3010153.168 2516981.264 10269129.03 9368054.937 2816294.558 3385884.214 4505080.841 11040379.65 6114520.769 7214195.465 5320517.9 4709293.397 11445365.21 5567995.244 3882981.837 3866151.573 10432985.26 10871798.79 5226731.198 3635072.423 1212604.205 4764983.576 5329994.192 5230259.926 5246667.522 11′-Hydroxy-15′-methoxy-5′_14′_14′-trimethyl-6′H-spiro[1_3-dithiane-2_7′-[16]oxapentacyclo[13.2.2.0~1_13~.0~2_10~.0~5_9~]nonadec[12]en]-6′-one 0.695 9348659.487 465.2111 20211391.56 12770179.32 8327816.358 11957007.11 10267298.35 11926316.45 20537398.15 13419218.76 10438985.55 9608311.94 17111961.77 13507693.05 9534477.837 12551286.19 12848696.1 11440287.12 13070368.15 9727823.553 7187787.677 8469198.622 11253075.24 15584530 14519737.72 13486238.88 19857145.12 14557392.4 19963878.15 14147827.13 9906381.004 14837295.94 11542565.8 11551908.41 13732943.38 12448298.76 13844448.93 13155567.14 9749225.374 11981067.04 19430479.67 17171956.38 16223843.34 13262604.23 17669568.37 15707139.06 13165064.18 13510763.22 8109781.68 13967172.29 5867354.947 8814244.925 13795469.91 12075201.14 15187536.93 11-Hydroxyandrosterone 1.312 33026839.9 307.2275 30773864.35 28991820.75 26729522.6 28546742.29 36425182.74 29769576.54 35588901 36745149.7 36834377.91 19220124.61 31063435.84 34741755.8 38972416.97 34050490.32 29290018.05 34577157.61 23187232.63 45267605.07 32134071.2 35553060.5 17806019.88 26892888.77 37537357.26 31450086.57 35568095.59 41014889.72 33541111.57 34285995.25 46227972.57 30237055.03 31442150.58 29958050.27 36447119.73 35184358.43 20852581.22 35447306.54 36532544.77 35682515.46 25616628.46 24146153.46 32544207.09 33871576.77 40367998.45 41904459.32 36329726.41 37628133.42 43833943.11 43820126.22 16333288.2 43885482.3 40284907.58 43950779.1 44715181.11 1_1′-Sulfonylbis(4-iodobenzene) 0.623 2504642.927 468.824 3047370.88 1355288.01 4367977.659 1053253.686 1678916.682 3436234.089 23105.6059 50226.0319 5695017.845 6463497.349 1865077.523 33083.337 29746.0694 42013.5364 1377187.089 1839266.991 4045349.732 38134.8794 5167994.699 4151779.957 4685719.405 1887638.204 2242042.622 3394826.117 40386.7827 29093.9371 3913602.547 3083653.484 2572993.726 2779443.541 33514.3797 44091.822 2006093.348 3753504.745 3878934.44 37560.0112 4831064.353 1725807.044 1415657.484 1467004.352 4869806.376 4472429.883 33762.9889 3731478.032 3702595.821 3452305.482 5978168.262 1383487.044 88916.517 46413.929 6398732.338 31772.5039 5623170.141 1_2_3_4-Tetrahydronaphthalene Tetralin 1.051 7181437.398 133.1015 5674930.96 696924.8516 7886422.161 7518992.33 6494814.348 3532473.736 5869783.795 5849380.019 4680010.315 3897165.345 5075360.976 5690887.041 3866907.192 7869905.918 5634624.388 5264156.058 4034699.523 3558206.856 3492504.111 5596629.201 3229356.618 4072876.521 4234383.017 6060442.406 4906517.712 9584035.602 4868364.719 6555972.641 2569095.141 5608551.951 3977412.769 7413489.948 6911456.352 7408476.137 3764169.982 6285676.887 6909678.808 6982247.165 5877157.408 4239272.296 4310457.8 7112874.273 8410710.472 7568568.87 4872704.248 5171127.66 10503736.18 4532812.359 8808058.903 7503094.453 7024464.165 8335123.512 9685178.106 1_23-Diazido-3_6_9_15_18_21-hexaoxa-12-thiatricosane 0.702 20959660.94 437.2162 23101770.15 21845858.47 21537240.1 21690680.15 29088835.23 21234721.72 20221597.87 26907815.02 22348409.84 24513462.03 18050422.71 24355419.21 27964902.49 34018211.11 20085004.89 19649456.26 35205430.48 26511577.93 22418990.58 22583405.79 24777368.3 40270484.92 37788087.51 21103796.13 38138799.07 40016144.85 21602590.07 21366185.1 30645122.2 35657646.74 20331737.12 25762040.05 33686778.98 32316213.86 43635041.27 21949697.65 23829353.2 27229578.44 37844807.27 36612402.95 21413983.72 27044762.68 47273873.79 29162911.82 21603637.82 23335196.5 21166417.27 24644559.47 11151930.58 24562700.05 21741336.06 21191613.17 21680664.7 1-(2_3-Dihydro-1_4-benzodioxin-6-yl)-4-[4-(1-methyl-1H-pyrazolo[3_4-d]pyrimidin-4-yl)-1-piperazinyl]-1_4-butanedione 1.102 796294358.4 437.1948 710223952.4 623157685.2 514007418.1 554185602.6 20300842.27 601500016 98207835.05 538709710.6 310295744.8 197846668.4 506639360.3 607526318.4 368116909.6 317155345.5 487973570.3 501115807.5 414259122.1 511076680.5 499027688.7 773165061.7 428754279.2 631615079.4 445040648.1 873360395.9 347259293.5 356514904.9 498833312.2 501778192.7 49864637.44 399294003 632634281.4 40024199.98 340149466.4 39803983.06 238463391.7 605445469 500539684 733244228.4 235525740.9 351504022.5 600050215.5 674431827 447588077.4 488147897.7 608747047.9 590471709 424762793.4 343160789 101161564.4 462600439.7 422906752.9 485635073.6 469676434.1 1_2_3-Trihydroxybenzene "1,2,3-Trihydroxybenzene" 3.847 10453402.17 127.0393 12751681.94 9510073.946 4655339.29 9291784.179 4702878.409 8599804.012 13950972.79 4323815.966 1252817.603 1042994.998 5698038.689 6904138.114 9876573.185 6411125.903 3575640.993 2934040.79 3915225.47 7597234.756 12378977.39 14623293.33 3789507.115 7272337.236 10880112 18712287.85 8593296.547 10657843.42 8980742.909 8216463.013 1688260.21 9536636.874 7667765.113 5267185.809 1461997.814 1937328.033 7641058.572 7315962.609 7904097.218 14012051.96 9823535.013 7853669.793 11512664.61 9934904.573 4507948.99 4291134.515 13281076.4 13168433.62 5635504.953 4224574.748 1695892.268 1921333.262 5348555.329 5124169.739 7519564.731 1_2_3-Triphosphinine 0.676 1550463.371 130.9371 1438837.51 1198168.842 799605.8208 1389505.538 1223343.522 1245237.106 20126.685 43766.7504 876324.8218 323554.6448 1309751.248 28818.0238 26332.3514 35417.3508 1273969.136 1156051.18 1377516.697 32899.8281 945024.4453 1058546.629 1154707.302 1748981.135 1363782.372 1259096.934 34530.728 25679.8808 1337445.602 1291179.411 1323228.471 1557709.859 29193.4938 39238.8597 1282810.693 1363117.689 1697507.866 32717.5369 1194716.58 1489639.199 2383501.738 1869877.422 1162848.491 1343310.796 29117.4129 1743736.348 1209621.956 1248189.395 674782.813 1735179.982 76999.1733 40213.1532 707562.3897 27676.1917 773010.7634 1-{2-[(4-Amino-1_2_5-oxadiazol-3-yl)oxy]ethyl}-1H-tetrazol-5-amine 5.912 967442.8802 213.0851 568812.4639 840055.597 762643.1937 1079938.85 669973.0438 474996.0726 418562.2087 1161143.153 862471.3609 1038301.467 546951.9348 535906.8582 1072911.808 837641.6493 544691.5636 448320.5869 709027.7644 789630.6762 936061.1156 516099.3079 3125049.71 493888.1089 1080215.281 668892.8988 803665.7022 510072.1208 475038.4588 479746.0734 512999.1094 609831.9917 688095.4415 870256.1077 389790.9936 373427.9499 752659.7011 662855.1455 874074.0818 4185792.119 462577.2116 2142677.323 623850.117 766790.3396 654857.8303 523808.3308 546456.5111 590181.165 877913.5766 554423.088 1845119.89 1190937.804 1285644.144 643899.7444 828909.7881 1_2_5-Oxadiazole-3_4-dicarboxylic acid 5.993 95091.4646 156.9886 114622.2054 150987.1067 160309.991 121528.0689 129507.2766 134604.418 28507315.32 18649713.01 193867.3433 311873.5329 93500.738 18050887.3 25350801.98 16955930.02 100382.2083 106774.9784 145100.9456 16138515.27 163323.7367 139344.9749 200580.4555 131854.6433 114083.5826 102126.1164 11464566.8 5298902.604 110555.797 124542.8976 127197.135 123254.8491 12835380.21 14349230.67 115730.9332 519561.7909 185510.3354 14351776.53 175728.967 139629.2132 125048.9147 158195.9475 136308.7389 163785.0078 12351178.46 123272.4683 131561.1021 152564.7236 205596.1104 128025.2438 26134933.46 29923056.9 206488.0056 41021335.62 174790.311 (1-{[(2-Amino-5-pyrimidinyl)methyl]amino}ethyl)phosphonic acid 0.719 59114931.62 233.0791 74073032.19 77155642.24 72987484.74 70744603.88 74293489.21 71129223.06 48689156.99 93636193 82536719.43 74267482.75 55423716.22 87699269.97 66046784.96 91116730.94 60086865.16 58994671.98 90004129.34 94950647.8 77533052.41 80359781.61 99046327.38 89335010.12 79689430.9 50940044.97 108801782.9 94402628.94 73176283.1 77950855.68 80025378.71 81324274.22 78914673.22 85923109.92 71144838.19 70490168.68 107956555.8 81865898.5 94857765.2 94513029.62 95141543.69 109622330.2 81106603.44 90753964.26 108262651.2 98957853.42 85595777.45 68441119.59 74469176.54 69604086.54 56276796.8 81516608.73 74019672.09 72821015.05 67561356 1-{2-Hydroxy-3-[(2-methyl-2-butanyl)oxy]propyl}-2_2_6_6-tetramethyl-4-piperidinol 17.269 3721310.739 302.2696 4222754.423 4847859.677 6087737.955 2949844.456 4825872.13 4783793.356 3242496.521 6413727.726 6364729.526 8631560.638 3150744.834 5606972.212 4027718.162 6404104.379 3322863.38 4252377.461 4739933.3 5561349.309 5431054.517 4687256.997 6042991.249 5345068.771 3672562.446 4132877.842 6170834.617 4559359.162 3958900.01 3554522.353 4772830.241 1847001.389 5627892.465 7546034.663 4130123.516 3797287.382 6502254.969 4987548.436 5793369.872 1150457.228 3665120.813 6316877.252 3861573.407 5877705.596 6173914.291 4124990.778 5562149.231 4155586.84 7827741.105 4119836.424 15199882.33 6111697.61 7091499.836 4709254.083 5708711.978 1-(2-Hydroxy-ethoxymethyl)-5-nitro-; 1H-pyrimidine-2_4-dione 2.491 469869.1 232.0559 794298.289 674615.8237 545527.8214 409410.4024 2003288.513 320950.2991 4984367.755 3512422.994 1296482.267 1407619.276 2339341.528 5483111.833 3327221.683 3098473.974 2508696.673 2418212.233 1467691.291 3970467.425 1161380.145 1213123.477 439248.9321 358457.5927 409819.6779 1065680.096 3077341.357 3074699.764 654981.5188 597668.9422 4294387.819 3155909.702 3113496.425 1637376.252 5360556.031 4604320.697 458439.7465 1830896.285 839450.375 1196361.917 353380.8789 431607.7416 1092254.451 969211.8271 4435620.148 4624944.417 596654.7213 435802.0613 1447757.542 3304248.91 3679142.122 12220495.03 674427.0726 18995880.42 1254153.755 [1-({[2-(Methylamino)-5-pyrimidinyl]methyl}amino)ethyl]phosphonic acid 0.704 79583755.95 247.0948 85307848.38 85256906.55 83563130.92 79648248.17 86584311.58 80107919.68 74713399.19 110106279.5 91183664.82 82221506.28 66111679.83 99681494.57 92818153.49 106098471 71184551.28 68772431.64 105121565 106148149.6 86634739.34 86178377.75 109379442.5 104644422.7 88990723.56 70894675.2 124024762.3 111258799.7 80189782.04 85499636.53 89158857.34 93514633.44 92111158.39 101888847.2 80496636.71 78462043.09 127987047.1 91838194.26 107058133.5 102945729.2 116389193.8 129456153.7 91532115.52 103932096.1 135511168.5 113407499.9 92099719.42 88772435.79 81037505.31 98890689.42 53573936.01 85837127.05 82252041.31 77774434.7 73184907.16 12-oxo-5E_8E_10Z-dodecatrienoic acid 18.216 239404.8093 209.1177 199552.1099 172397.0336 191898.9089 1984807.626 196527.675 241939.1197 188354.5379 455934.3914 222713.421 433035.601 192554.822 218070.0778 260110.0417 431040.8326 188782.8108 903454.9623 739619.4204 180211.3734 256532.6798 296863.3717 261359.0961 260977.77 174982.4125 168267.3844 444946.0856 213363.453 257226.912 312923.1858 185512.3957 2829357.789 270343.5651 183113.1497 176565.0257 269617.8851 308226.5276 811301.416 317192.9571 226305.9905 302369.6885 458678.3399 2715856.394 4005544.805 270164.5107 194504.222 2450261.248 281405.6942 537320.3252 248399.1126 8245767.084 601928.941 417440.0843 3203756.976 424665.4163 1-[(2S)-2-Aminobutanoyl]-L-prolinamide 1.03 3340518.068 200.1398 1141505.486 1794034.72 2031992.956 2149245.928 10631581.74 1452566.044 2566197.681 2776201.539 10466264.76 7279226.935 21072026.28 3925067.13 3676348.21 3965288.686 15738423.16 14432624.17 2456732.079 3821227.547 1917477.08 1618477.571 2412054.942 1543231.033 3548226.358 2199432.152 4432387.747 3387536.024 2202961.648 4176013.671 8971379.913 2649347.348 2797171.748 3695636.111 8439185.447 10951155.09 2027518.148 3431020.687 1447316.995 470589.7905 1390470.627 1928437.64 5199571.625 1462835.115 2341627.895 2707956.651 2085346.864 1876658.387 3162504.742 2892984.43 7605475.108 4988050.033 3822851.989 4845867.298 3219050.379 1-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]-3-oxopropyl}-4-methylthieno[2_3-e][1_2_4]triazolo[4_3-a]pyrimidin-5(4H)-one 1.449 27460695.51 453.1687 34116736.03 10686717.62 1917899.031 9454989.275 14015800.21 24542662.98 67929221.45 2383780.302 731140.8528 1230063.161 20285649.26 18741058.26 13895330.34 5574753.983 17418939.33 13048676.27 7577730.223 4013706.768 11146387.48 16218625.65 4162961.514 14410803.91 15758682.3 14094554.24 4746280.006 8441016.581 43597629.55 15162372.44 40614077.57 11890220.32 17305294.14 15000599.09 12084555.45 32927577.85 3690625.55 6957037.262 4821585.698 8393336.121 18154079.14 5056873.422 12433296.98 6562893.856 11160073.83 6921661.361 13584332.26 9959700.873 3337443.973 6027302.644 1024783.758 2666397.61 803054.217 6989373.56 1772754.811 1-(3_5-Dihydroxyphenyl)-2-pentadecanone 1.274 59059057.11 335.2589 44138545.11 43931224.24 44586714.57 46133028.23 55913802.59 42075517.33 54281869.28 46530533.35 47665191.45 28336275.18 43227411.77 50285758.56 59613985.25 50394114.26 41225446.54 44658653.07 45242520.51 56809489.32 40478778.87 42820123.73 34514699.69 52429548.02 55186284.66 43354980.82 47544064.91 58232516.02 51266180.23 46183200.21 50472919.71 45219498.23 46096383.97 45260756.07 56437702.56 53825060.99 36483811.01 52001424.64 41333441.77 41798459.81 42870169.33 42806259.26 48981813.17 42657319.61 60841226.76 57515724.85 57351656.82 61803714.07 55032956.42 56724487.01 23447964.42 70081814.31 52361373.32 65144699.8 49860569.76 1-(3_5-Dimethyl-1_2-oxazol-4-yl)-N-[(2-methyl-2H-tetrazol-5-yl)methyl]-1-propanamine 1.087 144682.7608 249.1475 327673.6198 157527.2621 178351.519 285671.1137 603639.1177 261751.692 18220.4243 39542.6856 241998.1735 97264.0822 504276.9036 24785.8313 23267.6934 32531.6884 491437.8336 570998.9398 110252.1135 28833.9482 439252.2085 469919.121 40502.011 59723.8253 562759.1331 631991.2736 33229.6761 23777.1665 562561.4906 422600.7451 1168607.075 575674.936 25933.1991 35313.7307 829861.3742 1208370.107 118247.9529 29309.1925 265862.0378 191563.1075 181387.4206 115856.1297 325975.1933 130511.6354 26435.8677 493126.6508 347661.5754 390671.9704 320970.329 277386.4125 67003.8866 35500.6673 226310.6895 24527.5042 450952.1786 1_3_5-Tribenzyl-1_3_5-triazinane 0.623 10459575.07 358.2291 785321.8956 493574.8413 4185911.296 8184374.379 199709.0592 723624.3576 1007223.004 308741.9286 300629.9881 609621.7201 679307.7322 221027.791 444193.3138 285486.7546 541609.2974 481234.0833 732920.8375 802099.0892 1453990.996 1674447.068 234612.1938 859746.4401 254563.7385 3058315.093 241774.4727 382813.5362 189124.0071 198419.3241 681724.0388 405129.9324 186150.5295 299539.2475 411511.7974 653629.1368 383768.6772 220854.6651 214167.6694 340336.6766 224350.6184 236497.8167 313048.2928 221475.112 363892.571 427436.2856 250164.6248 390762.7018 299190.0607 283920.7147 523929.689 858117.1445 446208.0948 1554801.751 314247.933 1_3-Bis{2_2_2-trichloro-1-[(2_4_6-trichlorophenyl)amino]ethyl}urea 0.65 13061.253 704.7046 14962.175 19043.1612 21838.8104 13593.2646 16793.7566 17457.2565 665728.6581 598581.0401 25100.2876 43933.3781 11980.5025 581700.299 631194.4936 593452.9799 13256.5215 13734.0674 18885.0145 657341.9781 21361.1153 18110.2472 25596.4435 16856.2918 15217.6256 13279.4715 555882.0806 601149.5345 14755.5534 15220.1974 16869.2243 14005.0468 543296.4567 486751.6132 15185.135 14506.439 22962.169 656190.2213 23721.1246 17997.1348 16363.1857 20861.5115 17466.7614 21152.9667 653906.6725 16412.8426 17110.6174 20009.2934 26783.4487 16028.2136 57030.4453 643432.931 27168.7119 751661.3415 22689.3509 1_3-dihydroxy-1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbutan-2-yl 3-methylbutanoate 0.701 46868615.99 379.1741 64603412.96 50633122.92 43360950.09 42997233.78 62245230.37 57735398.86 68707459.6 59395753.56 52466527.98 39113510.51 53925447.85 56658066.33 64426602.58 59398880.99 56067935.25 50752442.23 60942342.98 66371938.25 45187975.99 50911859.79 52830073.32 72096310.59 64616421.06 32219895.52 69435489.24 67977287.92 54953746.87 64262882.18 49931403.39 61470219.2 52344476.8 59170737.09 63328769.77 53598872.22 66679802.44 53714019.38 59323615.22 66090930.49 69631603.55 66350377.05 56347552.48 57905904.18 79069567.88 73221109.75 54226292.63 61770492.5 48701647.66 64916208.24 20585110.62 54576330.28 46524482.77 57003014.41 45027461.41 1_3-Dimethyl-2_4_5_6-tetraphenyl-1_3_5-diazaphosphinane 1.359 6620368.524 437.2156 7223015.958 5436198.063 1370579.362 6201633.039 9394744.872 22423411.15 4774672.137 4996866.081 4884937.151 4274434.758 6913995.564 10313291.55 7414568.111 4539426.498 5864098.359 3543627.858 4395099.996 7601900.774 9023073.616 5044189.329 13726030.31 10571091.05 7655005.274 7950346.307 3929222.069 8409457.36 13582643.39 6068905.883 5442131.67 9114302.954 1007472.45 815201.8652 7034343.782 6222178.603 9137433.917 3786868.983 4798469.964 7284880.585 14757962 7708752.834 4767619.989 9508043.666 10315376.83 11629483.51 3452502.84 5999522.823 1172227.727 5485801.333 4912856.068 7275922.29 1850769.773 8168882.958 4949627.453 1-[4-(1_3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-{[1-(4-methylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethanone 1.418 40865064.64 453.1687 34116736.03 11340284.01 1917899.031 10209362.88 15303812.02 14096738.03 67929221.45 2383780.302 731140.8528 960814.2457 21802299.23 20474278.57 13895330.34 4484307.76 29176910.15 14759853.45 6724005.72 921944.4223 4571929.566 16218625.65 4943848.627 17712782.54 16897207.77 14551318.68 5382775.689 9647222.565 43597629.55 18034887.18 41195560.75 14996744.91 18000117.82 16950551.65 12084555.45 34391259.55 4119073.545 7224298.893 5841828.067 12928283.8 22927773.2 7107589.578 13801882.27 7808544.234 13224359.26 8040106.923 14727468.83 11048442.39 3337443.973 5985945.813 968585.5462 2666397.61 5179320.358 13196831.23 1772754.811 1-[4-(2-{[3-(Dimethylamino)propyl](methyl)amino}-1-hydroxyethyl)-1-piperidinyl]-4-(1H-1_2_4-triazol-1-yl)-1-butanone 1.104 18591366.9 381.2989 19082616.35 17261976.9 9847166.874 17469309.83 12505525.05 17035367.15 24164815.6 6311252.829 9718745.391 7374141.384 8744677.89 14123090.44 18952235.38 7321529.636 11779621.38 7279717.61 11681666.7 10112075.27 41912019.07 54063063.13 7830072.626 24651120.75 23365020.77 33191485.13 9647996.669 14713753.85 13277556.69 21092013.74 20841879.27 17947333.41 17270690.39 12376462 17117469.24 24901331.69 7218229.347 11842975.78 9713445.159 21831309.45 14818499.48 11814188.29 25110066.79 18787001.18 9617973.642 20969699.59 26416674.98 55919308.03 17268988.93 12907428.35 4790298.215 48664794.95 8384103.493 34805266.27 13018971.36 1-{[4′-(4-{[Allyl(cyclopentyl)amino]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1_3-dioxan-2-yl)-2-biphenylyl]methyl}-3-(4-phenoxyphenyl)urea 1.818 489624.1585 736.3776 319162.1319 247251.9966 265292.0119 472787.9905 296847.7583 264347.0257 31433.9131 69679.418 145147.7633 96779.3429 308232.5683 44407.9271 42298.8026 59682.789 305623.712 327321.3822 310462.6451 52779.0618 274279.1681 236042.5331 162860.2642 303701.5972 226574.2749 298379.0685 56900.5327 42764.1079 229115.7893 249139.6275 204156.277 305457.543 45982.0224 64999.5939 221676.3609 176079.3512 401507.4543 52736.4033 293895.682 334731.4445 570881.7124 403933.0567 207204.5403 254153.791 47524.0438 362944.0903 285770.7576 244858.9772 117764.2916 242596.2836 123807.3071 65270.2862 58008.0148 42677.7632 120222.058 [1-(4-Amino-1_2_5-oxadiazol-3-yl)-1H-1_2_3-triazole-4_5-diyl]dimethanol 0.825 79583755.95 245.1001 85989368.89 147346808.3 183802913.7 282236762.2 364710794.9 116649117.2 74713399.19 106498320.7 243353555.9 80247934.17 67363109.28 96177689.04 104369775.8 208968368 71184551.28 76992100.48 105121565 106148149.6 170913498.2 129131287 110222204.9 86742314.28 88990723.56 70894675.2 454055830.6 109258129.5 80189782.04 95706248.5 284046263.2 93514633.44 138011668.7 221681623.3 80496636.71 78462043.09 127987047.1 393699279.1 192587101.6 102945729.2 73699090.96 152214446.5 128615167.7 156465848.1 412854950.6 112309168.9 126049161.1 361597084.4 486665095.4 98890689.42 53573936.01 621304077.9 660319591.4 124227709.5 487698865.4 1-(4-Amino-1_2_5-oxadiazol-3-yl)-5-isopropyl-N′-[(1E)-1-(2_3_4-trichlorophenyl)ethylidene]-1H-1_2_3-triazole-4-carbohydrazide 2.227 23481885.81 455.0315 26682205.52 15866349.37 20783016.41 17176425.2 17330524.14 19162714.62 44799.5593 100673.8774 25765153.8 17844536.61 13154693.87 63772.3959 59064.2817 83482.0041 14695601.51 13433797.2 24667084.48 76409.8856 22734577.2 25208460.83 23149329.66 16518941.02 18399744.58 22481558.59 81988.7929 59547.1545 21573064.61 18232900.19 18370921.88 19688220.14 64458.8629 92984.2061 16897347.07 12614432.24 9077374.131 74307.8605 17107345.65 16035382.4 15355695.74 12545982.74 14404733.47 15198203.68 66477.7667 15140583.4 10272765.82 11064576.2 10149263.56 12456353.24 175963.4808 89555.7813 16004270.31 62539.6833 14589857.75 1-(4-Amino-1_2_5-oxadiazol-3-yl)-N′-isopropylidene-5-[(4-methyl-1-piperazinyl)methyl]-1H-1_2_3-triazole-4-carbohydrazide 7.485 418430365.7 363.2001 484345676.9 654084260.3 153926011 451539015.1 558752381.9 546043197.1 369904617.7 876491974.3 207907374.2 1340637445 377933997.7 568086860.5 547367546.1 114894350.2 426163547.9 426815291.4 621195226.3 685203177.1 692864691.4 579520897.9 789807397.5 540636295 491473016.6 428745638.2 751622203.8 557284788.1 98032294.79 492951949.5 536817868.1 431559211.4 594765620.6 823429219.5 467064722.7 451817653.9 734279527.4 695917796.2 781978681.8 549150508.7 478376855 248544603.8 614089520.6 696830263.3 627768659.5 535456479.4 603704436.4 549448923.4 2897126676 518405130.6 473778373.6 869386789.3 925808919.5 593700563.2 724667193.5 15′(18′)-trien-3′-yl]-1_3-thiazole-4-carboxylic acid" 18.153 589448.7289 885.3627 306619.9158 348527.0975 1158075.533 416076.2907 849603.7089 830533.9162 104479.1859 258234.9076 2302598.848 1043093.066 422498.8723 73990.8633 389734.2047 436495.8422 309020.3821 343849.1709 695347.8481 89269.6803 207298.3636 242836.4521 504325.5155 471619.1444 1012297.857 519506.5028 100555.6321 69884.4288 634904.5506 438789.8972 402330.1797 608510.6132 78257.7074 109463.6015 128639.7664 182950.525 392202.1574 154749.2284 532952.2359 127523.778 92046.4678 370121.0204 737204.0853 640541.2534 419108.5661 329407.0168 172291.6975 507348.4975 195856.2909 858070.1021 282988.6735 106479.2577 1344559.468 77092.3812 489513.1529 1-(5_6-Dideoxy-6-phosphono-β-D-ribo-hexofuranosyl)-5-(2-furyl)-2_4(1H_3H)-pyrimidinedione 2.276 14995.3494 387.0593 15932.6913 20311.8245 22285.1034 16434.8178 18036.5266 18697.4541 57922810.17 15639891.22 27259.6212 47488.8069 13252.7255 29366198.72 27744236.77 24779151.21 14505.3854 15243.4113 20499.3688 50578119.48 21782.6175 18776.5575 26894.4239 18574.422 15946.9795 14609.1956 34150344.7 57622188.15 15242.3542 16777.8257 17496.2401 16004.4004 55078488.94 28552545.08 16485.3867 15552.3703 24830.9021 24401224.34 24739.2753 20077.2225 17009.8404 22040.894 19231.8269 21967.3049 20728506.55 17270.6819 18578.0152 21162.0666 29209.8194 17114.0602 2280244.381 28786215.4 29476.9057 37724898.27 24389.127 1_5-Dibromo-2-(3-bromopropoxy)-3-(2_4-dibromophenoxy)benzene 0.698 167781.4511 616.6583 133732.4416 63619.8606 27588.2807 133155.8225 54241.0214 82617.6548 13712.0823 29817.7908 23088.1513 40278.0307 97387.2383 19191.409 17939.9325 23973.7038 95095.9379 62185.9955 79441.7154 22414.2799 19648.7255 50712.4687 44690.1886 138856.3781 72781.2555 54881.1467 23307.8624 17495.4116 77864.0952 60838.1829 48291.0724 116602.609 18802.4813 26732.9902 63770.2268 62721.2033 135531.3737 22290.0869 28833.7695 93727.6334 342336.1679 197328.4549 33933.263 58852.4477 19792.2771 155846.9547 40250.3029 55097.069 23992.0273 133738.3115 52458.6637 27396.7653 24990.7627 18484.9888 21193.9789 1_5-Diiododecafluoropentane 8.321 32628.0154 502.7868 38750.0915 50468.634 58507.0798 41104.5571 43657.3202 45735.0982 3044102.633 8359025.142 64807.7357 109988.306 31746.0412 4942464.159 4834433.773 7092318.832 34628.4194 35954.9232 51297.7059 6215469.791 54102.8156 47700.3588 66082.9194 43618.1151 39330.7124 34481.0392 6464696.225 4885730.134 38102.0647 42042.1666 43891.7436 42729.9822 5243855.917 7054518.798 39999.9275 38411.8171 68128.6836 6386362.021 58856.4855 47400.457 42922.8586 53929.7109 46109.4443 56658.1168 5142631.034 43708.9703 44870.1307 50806.8443 69307.1904 44330.5185 15922795.76 8004124.512 71554.6304 5263577.333 80526.3958 1_5-Naphthalenediamine "1,5-Naphthalenediamine" 1.179 7247240.1 159.0921 4059758.963 3713157.292 3745438.474 6907510.943 2155868.816 3560119.267 4285413.94 2409108.06 855068.6931 387610.8215 490297.2706 3721436.491 4719340.467 3390318.366 860047.7889 940903.0691 5232803.338 5346991.078 2527181.428 3201442.062 3390340.634 6191207.07 1085119.818 4736517.343 2161087.749 2821170.404 1144157.417 1266097.175 643684.5249 2235043.969 2411354.622 1832300.719 699212.1501 591659.27 4114659.179 1671577.116 1452019.302 1787220.736 7925344.605 5257485.637 161476.1542 1793546.269 638454.4171 565281.6599 463829.131 399881.8582 219900.8712 392824.4335 467450.9548 782528.1546 176897.7389 915840.9313 173396.9139 1_5-Naphthyridine 10.889 59226.3575 131.0609 82463.329 108468.3455 122998.3317 81561.8616 184527.9289 137516.0499 67327.6121 148058.8843 146319.4385 450660.0022 65905.6803 115646.2497 270478.2585 155015.4348 70043.7865 98684.4224 204638.601 148456.6041 100274.3122 97736.635 125579.0839 154063.5661 69352.2357 95451.3249 225997.8104 235449.2078 74360.012 246447.9468 82794.312 79114.8323 94738.5545 253374.1666 71070.9989 79408.8612 425659.7957 198081.5518 120330.1034 88005.6739 139143.9204 105403.5658 210955.213 159660.3522 171652.9399 99907.7604 561575.9424 118906.9502 355537.3302 120109.1158 259989.908 574393.821 172357.3523 100440.9099 150761.3161 1_8-Naphthyridin-2(1H)-one 1.556 33151.8781 145.0405 38901.5768 49365.9354 54462.8152 40464.061 43722.9743 43720.1888 8156119.369 2278244.002 67005.6716 112728.6048 32373.9604 4032861.432 4852376.929 2888190.969 33715.0545 36502.5136 49452.7747 3569570.547 54634.8557 48415.9233 66850.0383 44422.9327 38666.148 34980.1348 2213519.99 3610664.074 37044.2175 42391.9106 42681.4773 39923.8489 2448813.888 1904583.887 39810.5345 37075.0821 61178.4114 2236837.215 61693.423 47173.457 43756.1215 54081.6326 49318.8403 54455.6414 1948593.159 43259.4524 45203.6732 51396.1015 69999.7267 43130.1484 550245.3543 3446870.575 70342.9643 5485898.057 57981.1786 [1-Amino-2-(4-carbamimidamidophenyl)ethyl]phosphonic acid 0.703 89445351.42 291.1212 97412273.76 91507286.48 86251812.89 91819220.17 94095121.76 91524129.14 90323685.13 108722294.3 89941815 75384189.44 83735497.84 102253468.6 109703207.8 107517167.6 83217691.77 79073773.79 104631583.3 117374949.6 89448586.43 90618437.54 106980845.4 111398967.9 94728175.24 86223903.93 117820302 125853759.9 93084772.99 95238639.73 95076421.79 102654440 90232677.73 100282173.5 90503262.63 93016340.4 134861136.3 97251728.17 109809629.2 115890901.1 123604532.2 129128273.3 88384101.51 114102032.4 139322204.8 124795848.8 94715946.41 97366610.8 83278351.51 109535790.6 46187070.47 91934696.61 81045553.63 87386927.13 79471889.71 1-Benzyldiethylenetriamine 0.617 306498.4115 194.1657 572707.3064 347052.4379 258759.8966 369748.8523 1161480.795 451522.1288 4937529.288 1796940.563 517958.7317 829116.4651 5014372.353 2661333.58 6731817.039 4833501.407 4644321.79 4492529.855 236952.6252 5457641.076 275523.3719 286466.6933 319084.4853 264829.8146 459718.6301 304770.0938 3642478.31 4951324.866 300456.1706 302582.2775 8859594.734 4494111.587 3508595.501 2467719.445 9196790.941 9468533.864 521944.8693 3202685.307 295964.3473 262372.7259 305128.2222 321649.0281 339534.4749 301217.3877 3824272.161 3361038.079 313482.0978 331127.1484 495916.0892 3181564.491 718884.8213 4289605.38 660108.1883 7075173.771 291889.2926 1-cyanopyrene 2.427 6831653.548 260.1069 657081.7974 758892.0749 1870105.821 4907998.217 1760745.309 702119.7055 32769977.99 9485655.454 885143.5628 1882617.755 1850217.135 16992303.84 29816035.7 20585958.44 1662188.98 1172184.311 686281.1083 26485044.32 10009957.29 11937838.58 711753.5283 864433.5897 601791.4448 22775786.24 3001363.112 4715418.3 546378.9801 600367.2785 1822266.244 4504345.082 5829584.437 2896292.604 1905191.467 3008445.047 742850.0861 5657296.748 548728.0305 1041887.921 536819.9978 787595.5874 502356.6019 898886.7577 3240156.815 3541137.163 435448.2482 469427.3325 2397826.586 3038804.561 6584932.093 53552943.96 2359722.837 82942119.32 1936903.97 1-Cyclopropyl-N-(di-4-morpholinylphosphoryl)-2_5-dimethyl-1H-pyrrole-3-carboxamide 0.995 20528.0057 395.1864 16237.05 20976.4996 23491.2602 17989.9374 18301.1222 18656.6888 3724323.404 1113140.534 27638.2457 43094.7252 13662.6422 2144191.997 1768403.379 936900.4199 14536.4211 15598.9793 21272.0494 1341746.281 22984.6503 19596.9725 28397.2938 18095.9205 16561.3255 17871.4826 992263.8886 1344953.82 15760.7627 16379.0185 18206.6988 15127.8096 2252206.326 1606314.228 16802.4278 15628.0303 25822.4204 2077056.169 26300.1488 19513.0502 17797.1488 23610.5072 20365.2984 23141.7496 1914533.376 17367.5041 18838.1006 21737.5983 29164.4167 18742.7232 156656.4288 1326667.56 30164.981 2153656.286 25269.2355 (1E)-1-cyano-N-fluoro-formimidoyl azide 9.565 3475793.776 114.021 4919364.702 3545787.955 1569211.321 2432474.226 3203151.767 4119771.514 9061139.833 4701770.007 1805724.884 745850.3014 5384047.028 5718549.178 5933891.452 4970171.078 5345239.434 4851182.519 1676058.667 6676850.985 2791039.907 2834715.374 1345838.858 2388714.047 3019384.62 4159615.677 5605614.081 6924447.724 2685435.578 2488710.122 5244246.077 5047788.681 5246521.383 4250002.236 4642383.871 4750284.506 808191.4039 5171980.35 1323559.542 2919842.777 1387333.978 826659.4579 977627.4921 1687269.79 4768165.691 4287340.487 916132.1617 1168605.347 810023.7068 3819841.951 907930.6963 3080837.816 1093877.308 5397546.453 661725.7505 1-Ethyl-4-{[(3-nitrophenyl)carbamoyl]amino}-1H-pyrazole-5-carboxamide 0.698 34381727.66 319.1163 38941047.87 33867275.9 29979506.92 40026744.75 40868462.19 34550612.65 36866483.67 43775817.46 28671671.4 23304951.98 33346905.62 34608190.67 43898949.94 38460698.29 32922318.12 32276470.44 42269325.56 37508912.18 31278316.08 31997619.16 38875427.35 48004526.36 39770963.6 38053881.97 43462106.28 45972237.33 36976810.73 36290622.02 34723386.27 37845797.44 33254473.94 36307266.31 35427873.09 33993757.98 50092300.62 32547153.59 40918386.31 44196370.99 50689066.03 57587449.48 36821400.58 40092987.7 53150026.34 48295407.09 34192232.01 36896885.38 31747470.91 43223208.71 13933068.2 30955814.11 27540451.99 33223739.32 29549516.32 1-Fluoro-4-nitro-2-butanone 0.79 1171093.867 134.0261 1443196.022 2007685.431 6676473.17 1756911.206 2114299.573 1748214.732 53832.0034 138130.9361 7656637.33 12742561.67 938821.5966 77078.3642 70430.0401 98288.2035 1241611.328 1636170.134 2637864.302 89804.4143 2926602.97 1762007.702 2952738.704 1805653.475 1493066.687 1086414.176 95827.4927 70590.2392 1550087.4 1387909.418 1912860.22 1991730.681 78414.284 104950.5386 1660190.536 1251136.886 3064609.79 87550.0233 6776717.522 1785787.926 1385754.449 2695602.617 2218908.866 3047620.875 77879.1277 2093683.24 2266459.616 1957278.253 5459072.206 1509972.863 206825.8381 107556.4406 7556008.502 74024.3534 3053399.777 1H-[1_2_5]Oxadiazolo[3′_4′:5_6]pyrazino[2_3-b][1_4]benzoxazine 1.3 39639.7992 226.0371 19214.2839 25581.2508 27003.9225 71794.2671 25434.7511 22957.1274 18925.0049 42468.0878 32716.7455 52748.1086 548562.7422 26711.9443 25380.2891 33776.2357 478573.7965 476504.3861 24505.5302 30576.3886 26909.7514 23684.7423 32529.4244 22164.7843 19278.0096 45856.6195 33899.2413 25081.2664 18531.4222 20465.4748 53482.1023 211350.5748 26990.5944 37558.0697 26632.8746 578209.561 30631.022 31421.4047 29267.8681 23256.6609 20651.9407 27548.3747 23573.7533 27853.8074 27883.0651 532937.0296 22185.3586 25462.8513 34646.7518 502322.1375 73583.2602 37360.6937 34943.2749 26768.604 29633.6559 1-(Hydroxymethyl)-5_5-dimethyl-2_4-imidazolidinedione "1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione" 1.302 36728470.43 159.0767 44449570.1 40024313.51 29287904.04 34383141.81 35244976.58 40196266.93 340165516.5 144629322.5 36854334.47 46355229.89 37854633.98 190225019.6 305563420.8 205840214.4 34283779.59 36359306.22 42333499.26 237451308 50945821.84 56922327.66 27794155.58 43599930.51 30159325.13 70469235.35 153725752.7 217311234 27821718.02 26778288.33 34908932.35 186314313.9 160142876.2 138633419 44158285.41 46968239.8 34528867.92 154297126.5 43477298.55 50926877.8 64367039.56 37707545.5 30873894.6 51547235.06 132488242.5 155381932 35939892.56 27568620.06 33510768.59 135292474.1 70734974.68 224260231.4 47003753.78 297649868.5 33336448.4 1-Methoxy-1-oxo-3-phospholene 1.868 27310.1946 131.0269 32712.1591 42766.2235 47033.2256 34551.0499 37127.6616 37303.6487 6545962.119 4213922.389 56930.6316 98972.7085 27669.9019 3944753.069 4659551.346 3004402.843 29063.8795 31296.1224 42570.4529 3806382.886 46487.1239 39277.5785 55345.433 37553.2834 33463.7696 29493.6128 3167342.904 4872760.184 31219.7143 34872.9159 35942.7426 32563.968 3191876.457 2755449.878 33343.3453 31605.5777 51955.6259 3041941.217 50762.4694 40032.5545 34777.3596 47037.7866 40199.3112 47449.6442 930269.6039 36203.8105 38287.8731 44050.8359 59626.9024 37564.1029 379397.4611 2238413.109 59493.3022 3843045.101 49393.7216 1-Methyl-4-phosphinanone 1-sulfide 1.617 845131.9166 161.0203 164436.258 240949.0066 563752.3913 758286.0519 485485.6628 467715.4807 39549.3371 89533.3737 466840.0051 302546.2596 367621.8134 57291.6596 52841.9703 72463.1414 372381.1158 391360.0156 462266.3517 66215.7116 566125.4262 729309.0807 355521.9907 627240.7017 493236.0251 740721.6403 69701.8102 52483.4912 333874.6762 401791.1415 379911.476 643179.9363 57976.8698 81336.7126 417537.4586 363277.4744 637032.3952 67215.1937 453495.2312 350190.293 840042.6977 716603.9608 456143.4498 485946.8731 59303.8382 516758.9372 414183.1678 425894.0197 321688.7725 617576.6921 152223.9626 81568.9129 456177.1573 55322.0142 398216.7767 1-Methylphosphinane 1-oxide 0.799 43086.0986 131.063 50740.9963 65027.6585 71108.6156 53441.7067 56046.8305 62808.2247 3573396.661 704962.6401 83859.3036 151784.4916 41912.4628 1429534.456 1597567.413 595865.4059 45156.9626 46852.8613 65143.194 982085.1362 71366.8416 63109.7389 85516.9454 57651.4034 51558.9269 45148.3076 738373.0263 195779.8139 49297.8586 55306.5382 53632.1237 48160.9368 602478.0124 370972.393 50249.552 48465.575 80514.4704 523490.498 79251.5614 60221.091 55756.4681 69551.1104 60900.6023 70804.7217 72051.9996 55135.7239 58800.612 66850.4454 91888.9926 54916.2934 191350.5666 240123.809 90769.8468 404795.7504 78303.4439 1-Methylpiperidin-4-yl butanoate 0.709 219386.3106 186.1493 801775.703 767725.4916 246949.1689 491088.4966 2544100.607 696744.4184 2345858.129 1075530.698 740282.2526 467920.9723 865251.4827 1801680.47 1233132.664 458439.6445 939725.6996 860009.9203 1215169.983 806921.0468 307524.809 938446.1593 566484.5365 1241216.774 1477299.362 990689.8044 267431.8591 225943.5509 2412925.274 1831262.02 1084681.819 274216.7301 335652.2869 286253.2438 1831597.086 1297189.043 414487.2759 671178.0997 589469.5662 1135518.786 777857.7263 381079.3893 1303795.926 556341.5158 786683.4683 1322481.777 1780366.509 1771592.128 750226.3264 738918.8384 563279.2661 385138.7556 466535.6751 588059.89 1005639.707 1-Methylpyrrolo[1_2-a]pyrazine 0.777 68588.1496 131.062 181772.9422 167247.3583 108303.9112 62024.4815 42898.3276 146578.1162 37363.483 97814.9457 64186.0359 116176.0761 1363147.36 53352.9276 49873.7701 69601.029 1046111.463 998742.7963 135695.0644 63593.3858 193899.7321 48304.2882 64233.9522 44126.4701 39463.2795 95708.621 67403.7361 49375.0327 36933.5586 42331.7067 306756.6761 1445890.672 55527.6692 74318.8421 297433.5006 394075.9808 61625.8956 61996.9792 60659.2632 46093.3128 42676.0837 53146.4017 46613.4118 53995.1065 55075.5243 127859.7438 63478.1702 51167.4305 70331.9718 299915.6768 146460.0088 76164.1649 69475.376 51653.0807 59933.5727 (1R_5S)-4-[(2-Methyl-4-pyrimidinyl)carbonyl]-11-oxa-4_15_16_17_20-pentaazahexacyclo[18.6.1.1~6_10~.1~15_18~.0~1_5~.0~21_26~]nonacosa-6(29)_7_9_16_18(28)_21_23_25-octaen-27-one 1.076 6842261.669 522.2251 426368.7365 468972.3798 2959718.307 6321508.947 380216.7492 391133.7546 309160.4296 419652.7969 417618.8206 532250.3418 320492.0926 480760.6843 420386.6271 414470.466 350872.3902 416650.005 6541521.949 391284.3366 395125.8523 485217.1633 3791544.067 9386743.776 357613.3865 328765.478 421881.8199 399487.3596 325734.8854 374694.0358 337793.5984 294141.4232 497494.5004 592415.9902 371495.7718 358271.6337 17124221.34 534085.7702 429878.1078 443628.5103 23702770.43 20048443.03 530381.8949 466439.3236 371418.6415 411693.172 485545.9215 397440.3393 531141.0866 344859.863 675716.7088 533456.4509 425914.0665 502850.9032 555830.7371 (1^S_2^S)-3^_11^-dihydroxy-1^_2^_5^-trimethyl-8^-oxaspiro[oxirane-2_12^-tricyclo[7.2.1.0Â?_⁷]dodecan]-5^-en-4^-one 0.977 26423998.84 281.1385 19892788.67 18969096.45 22133238.57 26677695.34 13294767.09 18632799.13 30746976.91 20452073.05 14175793.92 7902842.558 22387624.95 24764006.88 15447456.24 13474156.97 25986724.8 19054135.61 17647766.55 15433998.03 13892411.51 14621200.83 11185747.28 19557280.55 21375789.86 19743478.58 1898727.425 13369529.37 23680019.4 25784986.38 15778206.99 8592381.984 26129111.98 21731534.57 14968044.12 17312284.78 9299592.329 21913951.71 20177012.7 18838746.42 10211365.61 11187227.72 24505341.34 17404765.85 20899357.18 18589430.78 25730823.17 23575809.93 15047568.33 15633005.51 6914823.31 14034987.69 13677724.05 14383306.51 14118530.13 (1S_3R_4R)-3-[(Butylcarbamoyl)amino]-4-propoxy-N-[2-(1H-1_2_4-triazol-1-yl)ethyl]cyclohexanecarboxamide 1.005 66140471.36 395.2781 78910757.82 3712772.499 54855295.73 72640070.75 60318219.04 70294554.25 50272808.5 47987569.94 47849778.12 26713197.13 37352786 51720311.92 70652902.61 71307296.48 39108725.3 36765536.03 74248018.03 65605166.8 85267049.74 98289644.35 50974420.14 80409841.72 59108778.14 108555083.6 53449530.05 63116714.45 67368928.65 66188781.15 64105357.37 51967144.6 56895243.34 57060514.98 54348143.25 69853294.56 49983552.1 54469078.65 69239239.09 83069934.99 62336376.99 57917497.32 82071572.29 74238646.35 69326026.13 65761792.44 87477301.51 80062553.79 71426887.97 55535492.69 21235924.91 84288177.22 80356603.08 117835444.8 77919434.39 1-Stearoylglycerol MG 18:0/0:0/0:0 1.171 30064864.24 359.3168 20218442.76 11346925.9 8834889.228 28214788.13 12257283.77 16415897.76 34427302.12 5590235.037 5538931.081 2497774.509 16003850.89 11805695.9 16589987.02 8042598.846 11152078.53 12593214.86 12585227.85 11201592.64 16332661.4 22479091.79 5879466.996 28704100.05 18726043.2 48729699.3 6404612.625 12820797.2 18393890.75 22037278.2 13318901.29 16175507.55 12078506.18 8071274.903 15798866.69 21828817.33 8470621.827 8844321.837 9613035.563 21910493.52 23636212.61 16290434.43 17636988.48 15622950.48 11743128.1 14581154.37 18649414.95 26585874.93 9852736.569 17715183.18 947996.7904 13134451.67 7473414.086 25211535.76 14432632.34 20-Fluoroeicosanoic acid 17.188 15312039.63 331.3011 15183992.44 5919388.634 6584000.85 4445909.296 18721890.68 5453665.32 13240465.81 6872646.265 33622006.8 9686991.257 3558005.711 5476322.757 5227038.064 7465776.143 2924289.023 14325037.47 23508805.89 21612437.84 4838947.837 17716527.21 5930729.698 23002888.63 4679300.016 11917561.66 22986994.36 3556596.907 15831230.8 15195089.33 4440023.776 3420433.147 5858721.718 7288752.305 4262593.39 14749005.1 4736313.144 4464059.739 4779124.574 4333659.147 4305599.359 5472732.885 5599897.564 8057595.478 5329969.232 5607798.947 23183533.94 4792432.62 8877032.842 5177028.865 19362050.56 8492677.077 9239005.064 5395362.414 6277535.464 2_2′-([1_2_5]Oxadiazolo[3_4-b]pyrazine-5_6-diyldiimino)diethanol 0.856 1027552.726 239.0916 70840.1826 36042.9536 489917.4161 897704.9393 585762.5171 46554.9478 14157.9713 31404.7266 404828.7214 92427.7861 695830.512 20193.5976 18388.781 26373.5951 668769.8089 22908.8183 531417.9287 24097.1467 390629.6239 1038956.68 28852.9801 871948.5781 881329.2043 18334.4991 25540.9851 18467.0741 813916.436 208220.6504 721336.8106 40678.5733 20833.5796 27615.039 26522.3455 23870.3284 69149.3868 22827.0275 537331.1424 38988.5837 765073.0356 366789.4802 759093.9252 30078.5084 20869.513 15508.3726 1219800.052 1152888.019 976795.9165 280217.9449 55497.4119 27755.2704 644126.1868 19572.6623 321865.85 2_2′-[(1E)-1-(4-Nitro-1H-imidazol-5-yl)-1-triazene-3_3-diyl]diethanol 0.801 79583755.95 245.1002 85989368.89 147346808.3 183802913.7 79648248.17 108956735.2 116649117.2 74713399.19 106498320.7 243353555.9 80247934.17 67363109.28 96177689.04 104369775.8 208968368 71184551.28 76992100.48 105121565 106148149.6 170913498.2 129131287 110222204.9 101838477.1 88990723.56 70894675.2 124024762.3 109258129.5 80189782.04 95706248.5 104349709.9 93514633.44 138011668.7 221681623.3 80496636.71 78462043.09 127987047.1 148114044.5 192587101.6 102945729.2 73699090.96 152214446.5 128615167.7 156465848.1 135511168.5 112309168.9 126049161.1 106895049 246008254.1 98890689.42 53573936.01 621304077.9 267926174.6 124227709.5 74738200.21 2-(2_2-dimethylcyclopropyl)-1H-indole-3-carbaldehyde 0.926 11583563.28 214.1231 16458100.22 1368622.163 1172599.995 14248317.16 1176920.318 1202733.472 1588413.757 1569996.39 1220863.393 2034538.03 1093887.3 1403024.476 1256159.562 1494836.815 1149669.55 1265995.759 1339090.219 1363104.555 1421085.185 1416030.009 1317748.331 21620267.76 1155028.737 14556847.71 1321768.552 1276401.119 15451088.9 1357519.869 1187744.861 1014081.336 1451859.488 1528139.255 1248026.095 1359391.677 1360618.03 1558645.356 1560452.838 19084574.99 1738172.9 1220436.322 1446485.902 1361229.836 1206117.208 1201461.8 1416989.439 3054238.038 1550051.76 1130455.459 3147568.332 1459529.56 1767831.885 1702917.151 1622104.623 2_2′-{[(4S)-2_2-Dimethyl-1_3-dioxolane-4_5-diyl]bis(methyleneoxy)}bis(1_3_2-dioxaphospholane) 7.652 3770860.663 341.0559 2894044.819 1889339.483 2995786.484 5494658.184 2276067.417 4246886.113 51107.1453 115064.4374 3115545.941 2310963.898 1808508.526 71331.0466 84150.3713 96942.3486 2647096.361 3529995.14 3485180.325 85880.1757 4548012.115 5868507.968 1929470.441 960803.0936 4800022.11 9748583.58 93348.9359 67605.6067 4351896.453 4535510.534 3074963.441 5667246.595 72502.8307 103616.5849 2745462.292 8802458.847 1504261.447 83013.6516 1693684.386 1386065.555 1548836.261 2200575.961 1021237.43 1793957.846 76100.7759 1198353.252 1312674.276 1274509.972 1731345.783 1606355.61 194604.055 101853.0084 1598017.927 71195.4441 1858026.051 2_2_6_6-Tetramethylpiperidin-1-ol 0.614 113352953.8 158.1543 409690467.2 310559503.1 60068838.17 103589383.2 332725196.6 334397798.2 477549701 235831616.1 218291031.1 111381896.8 151699980.4 310425099.4 415911231.6 294959211.7 136368203.6 131250201.8 68320037.85 350670835.4 346123558.8 420644719.5 55166007.19 97096358.68 411788987.5 528134655.7 43213750.32 53288870.33 393201963.7 376606510.5 87230059.71 50899762.75 240251086.5 206598409.9 86800468.3 89574721.98 169664525.8 240168160 193601377.6 289382766.7 257283462.4 188343119.2 445997629.5 219451171.3 173586701.7 162825338.8 458062170.1 507069948.6 256741621.6 153676921.9 78353396.39 335730432.9 243177261.4 435790870.7 251719007.6 2-(2-Bromoethyl)-3-(bromomethyl)thiophene 0.682 3906786.65 280.865 3647467.24 2615470.567 1744830.314 3346055.929 2853789.502 2807238.248 17617.8961 38311.2301 1564426.542 446177.1559 3022984.729 25225.8605 23050.0269 30802.486 2931863.124 2679366.811 3188222.506 28798.8684 1928758.933 2269082.952 2345623.675 4183332.234 3165731.717 3088806.881 30226.4768 22478.8867 3032219.113 2895252.443 2981042.842 3672038.162 25554.5282 34347.7405 2904388.352 3162804.967 4111028.682 28639.2997 2382730.422 3840943.578 6033883.799 4728490.353 2442747.283 2771935.355 25487.9308 4345196.61 2600935.324 2653289.535 1132293.579 4200228.576 67401.2354 35200.5884 1076058.907 58216.0043 1291091.413 2_2-Difluorocyclopentane-1_3-dione 6.038 13465041.43 133.0103 1901323.555 1656127.192 7296582.352 11788735.67 11683468.16 1708341.371 82864.5487 189153.4552 8061647.652 5214449.384 8107422.49 117680.1953 112579.6999 157058.1451 7510848.358 6575159.148 4771109.552 138333.78 3790961.552 4057795.212 3560027.066 6114605.717 9410223.889 5020169.148 151540.6202 112291.1909 9410988.393 8852058.396 10642083.65 1421381.751 123038.9352 172906.4634 11007546.23 11866404.35 2885981.885 142455.4388 3546973.978 4753604.773 2219905.325 1965860.638 3270971.736 3780704.039 124329.0112 5149806.174 3342244.267 3667536.763 2750403.231 4497245.196 330062.5739 171415.8578 3229682.558 118073.975 3293352.914 2:2 Fluorotelomer iodide 7.566 38812.4941 272.9192 46170.083 86383.8331 66508.2599 49176.2834 52271.6595 55433.0502 11838556.8 10281701.44 79661.529 122194.9443 62379.7035 9504276.38 10075414.15 10971394.86 51386.056 43893.2541 63188.3821 10452335.55 68672.5274 57219.7859 79726.7952 52630.1578 46296.7136 42547.8109 12523530.78 12657985.34 45206.2783 50241.6688 57898.2019 49744.1968 11492165.34 13242602.82 47811.3453 43632.9893 76526.9657 11761607.12 76036.5428 56281.1246 65026.3208 65723.2991 55896.1091 67914.2232 11916403.42 51162.9042 54796.0409 61724.5581 87642.6571 52372.4971 20224281.04 12665016.74 84912.8552 11039534.68 72138.0278 2-{[2-(Hexadecyloxy)-1-methoxyethyl](methyl)amino}ethanol 0.668 6605129.894 374.3642 4936899.279 3802735.556 2609717.819 5697823.875 5206119.339 4350097.5 5417098.478 1213742.268 3047750.409 977646.0927 4341101.737 2305010.326 4687007.413 2421898.072 4078864.642 3759540.068 5099921.059 3556392.683 7287022.555 8632422.683 4712890.968 6880837.735 9299439.416 16281327.18 3356741.231 4666851.77 7547422.597 8675203.94 5694482.413 5852786.329 4099018.585 3298025.716 7062534.399 8982808.244 3735922.389 4347395.219 5497511.27 7779073.611 7358653.706 4598355.831 6596570.297 6362392.889 4825719.676 4296577.217 8850335.618 9553789.839 4489700.787 4705762.678 441115.5615 1761090.784 3913225.385 3793421.163 4372984.009 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate 2.101 24402.8372 387.0583 29421.9642 38919.8937 42343.1532 32027.1933 32802.0067 34719.6977 93035467.57 107120737 52086.3012 88720.2332 26634.4329 128418665.2 57768374.56 104579682.6 25337.6327 27780.8867 38433.6833 148174940.7 42713.4378 37704.1624 50035.0477 34224.0726 30349.9279 26841.8277 138031834.1 154086718.1 29110.0035 32652.7735 32979.4922 55812.4203 123203013 123628790.1 30845.8347 31175.4555 46994.0601 135990449.4 44570.2189 36717.4891 33100.9955 42200.9979 37354.5923 42582.7423 50979087.51 33419.6101 34826.3057 39888.7271 54373.6528 35931.5946 25440654.4 115544711.8 54044.34 123290451.4 46278.1043 [2-({[2-(Methylamino)-5-pyrimidinyl]methyl}amino)-2-propanyl]phosphonic acid 0.701 32742162.77 261.1106 42013845.04 45434508.38 42697734.58 29826423.75 42534508.72 42129967.72 42981082.67 63119656.63 48991271.36 59524604.69 37291014.12 60208051.98 45716299.06 52465561.73 40141922.21 36315900.87 60483436.76 60520292.18 31520228.66 37850447.97 57486179.44 52565625.85 36893673.08 39423798.4 62999368.31 51280688.12 29811845.75 49952729.63 44756478.79 45846583.12 50038542.78 53690309.32 39836283.12 38684563.53 69567318.34 48388657.88 55095405.42 54454365.37 57877689.78 69606067.55 39586337.52 60288081.5 68782415.49 57046648.2 56822196.56 56152547.09 46826019.96 50854788.26 52707001.41 51586111.71 39652610.95 45712333.49 30320467.63 2_2′-(Methylenedisulfonyl)diacetamide 7.922 27825.3087 256.9901 32316.4445 43848.0916 47193.7121 36250.8183 36065.9746 37775.611 671181.1305 73984.4015 56127.6812 89608.6797 26925.0308 56666.4074 227736.432 59056.903 29272.6886 31483.6203 43243.0635 72290.2814 46741.3438 41414.7541 54850.0365 37282.7579 33319.8081 29413.6692 57640.1844 42904.714 31850.2935 35635.7246 36329.6991 35826.6068 47236.4227 65593.4168 33996.657 33018.3064 52395.0066 50720.5474 51254.9097 40955.4479 35843.2313 46921.914 39664.2287 47330.8599 48562.0041 36275.1068 38251.7294 38134.5477 57748.4732 37421.2049 121429.5692 64328.5573 61118.1064 45296.3815 48850.8972 2-(3_4-Dibromo-1_1_2_2_3_4_4-heptafluorobutyl)-2_3_3-trifluorooxirane 8.321 27128.4285 434.8092 32218.6034 41961.9371 48645.4695 34176.214 36298.6983 38026.2582 3971121.766 9956042.825 53884.1238 91449.3222 26395.1147 5966149.128 6205380.19 8909105.856 28791.6561 29894.5722 42651.2654 7386821.163 44983.5623 39660.2661 54944.37 36266.1015 32701.3582 28669.1175 8327756.286 6020299.816 31679.8041 34955.7855 36493.6087 35527.667 6658030.74 8868560.556 33257.7743 31937.3465 56645.3122 8035799.478 48485.3464 39410.914 35189.3923 44839.6351 38337.5068 47044.9012 6426529.706 36341.6427 37307.0846 42243.1406 57625.1768 36858.4263 19767268.44 9755508.833 59493.8015 6549650.369 66953.3388 2-(3_7-Dimethyl-2_6-dioxo-2_3_6_7-tetrahydro-1H-purin-1-yl)-N-{2-methyl-5-[(phenylcarbamoyl)amino]phenyl}acetamide 16.148 10621851.19 462.1888 973223.6877 534407.6632 3393979.476 8586792.617 125238.9816 688410.4015 394692.1819 230319.8034 206745.4468 342948.0364 86256.3257 142920.5526 129151.7445 220005.379 105287.095 113419.886 5388578.535 161728.3425 1141500.392 1398066.284 3676931.191 8513214.393 140671.3344 2994551.566 182233.3515 147598.8019 193515.7427 125428.9152 135112.3246 115458.0621 146775.2424 208058.8078 119443.1135 121341.0648 1887710.051 186140.6435 183813.9266 135703.1023 3788289.49 2080128.186 150241.1445 168269.2971 150548.2732 119107.6963 160231.02 144171.4135 199418.4098 126484.1607 423487.6588 209096.7503 228834.4434 139779.3029 192153.3231 2_3-Diacetoxypropyl stearate 1.018 18479438.71 443.3355 16312089.78 12903140.57 10054785.6 15918964.56 3523664.629 13383746.44 23902702.39 11231672.12 4452151.179 1588200.696 18731920.67 15658261.99 6444723.395 2816831.355 17642942.07 14554723.98 4512483.068 5245967.039 6146720.953 6297883.68 3219571.299 7788943.077 11052732.35 8304966.933 3734354.845 6626689.431 11832799.98 11195156.33 3654930.655 6110510.661 15831367.01 14508159.36 4049357.517 5442650.355 6075314.53 12204550.61 7651683.686 8134885.399 9727442.767 6174996.51 12781837.31 6111871.607 7026884.147 6861906.476 15475099.94 11923048.72 3695437.018 7094275.686 2055821.192 4304845.794 3354020.54 5787131.543 3892808.6 2_3-Difluoro-1_4-diiodobenzene 0.683 2009438.013 364.8132 1844086.289 1209034.173 742260.7158 1750663.15 1239212.874 1340139.781 15771.6251 34296.397 584276.1203 98517.3334 1510115.605 22582.3114 20634.4947 27574.5332 1443239.644 1271277.739 1543160.673 25780.8851 751137.0698 988585.2567 993642.7368 2061843.305 1488955.52 1447078.028 27058.887 20123.2072 1407806.616 1337531.557 1315839.804 1845396.098 22876.5362 30748.262 1324083.584 1444684.981 1973899.42 25638.0385 1035049.076 1779753.689 3276374.86 2483508.677 1018652.21 1222073.633 22816.9179 2167115.846 1098361.137 1153712.209 352137.5424 2097941.004 60337.9092 31511.7356 350062.8449 21687.5516 422891.4006 2-(3-Methyl-1-benzofuran-2-yl)-5-{[3-(2-methyl-2_3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}[1_3]thiazolo[3_2-b][1_2_4]triazol-6(5H)-one 16.805 2633874.442 556.1435 36710.2482 49312.3247 874421.9301 2210271.021 39602.5707 42248.5256 35050.5598 73204.4395 61324.2959 101237.719 28640.9208 49760.0458 47705.0794 66304.2345 31838.7512 33568.4627 839701.782 59789.4442 49799.627 42702.5455 530219.4317 1392173.434 35962.0012 133092.3287 65005.1091 46633.2837 34158.5619 39602.1644 41911.2417 34436.2027 51950.8303 71489.4703 36102.224 33985.0908 56909.93 57923.6866 56795.1308 43254.2578 40145.7176 51597.4353 42445.1673 52317.7031 58434.2316 51402.9472 41561.5638 49019.6288 64059.0605 38783.5088 141417.1269 70981.9548 66748.6372 49305.7609 61226.8309 2′_3′-O-(3-Phenyl-2-propyn-1-ylidene)adenosine 5′-(dihydrogen phosphate) 1.728 226593.2613 458.0858 1311346.738 907942.5712 116767.187 176698.9768 21675.6037 1086998.16 16870.1699 37450.6856 29411.7985 51124.9372 39277.7728 24148.3135 22820.8529 31735.5756 29874.5201 32192.3364 54901.0706 28503.2862 1399263.621 1600782.469 27922.4548 89784.8305 65739.1917 2347151.937 30818.9947 22506.5311 50500.3629 61833.1742 28762.6289 914064.5513 24358.1001 34177.7674 31798.8756 43218.7258 27196.5633 28398.7606 26588.3581 21455.2763 108823.9247 50559.6722 21316.9929 24877.792 25740.4138 19115.4035 20520.2218 20110.4665 31294.5113 19565.8688 67057.6629 34228.0695 31099.4303 23115.5263 27461.1447 2_4_4-Trimethyl-3-[3_7_12_16-tetramethyl-18-(2_6_6-trimethylcyclohexen-1-yl)octadeca-1_3_5_7_9_11_13_15_17-nonaenyl]cyclohex-2-en-1-one 1.276 122812352.2 551.4264 67872392.62 91630727.51 97960859.1 101904822 116492057.8 91845704.7 158916679.1 143762927.4 136841913.5 64323286.61 83419806.37 270149508.2 206746089 157219198.2 165865482.2 104084022.6 60897993.17 198332936.1 202445362.7 105266034.6 52714131.71 44707329.25 71704633.08 125240311.7 114233081.3 168726220 74071654.1 84049895.24 130345965.3 95560312.18 132165751.3 143858118 130436961.3 103720977.2 15652534.18 149007465.4 101753391.5 91992663.7 27144924 17953087.72 90757323.77 94417254.6 150509360.2 246814006.1 111368191.8 89157248.53 292823034.7 160460217.1 66356661.81 260043464.8 148653996.6 267214071.1 141487613.1 2_4_6_8-decatetraenal "2,4,6,8-Decatetraenal" 1.001 103088967.4 149.0964 105221202.2 92661652.84 68562407.36 94536527.41 51311955.78 102652825.1 110701370.2 74062823.84 41965054.31 19696385.32 83652747.01 86121237.83 45391897.53 41972605.61 76772703.07 72862459.56 62349554.45 45428190.37 63677686.99 87904827.63 51716454.09 77653662.35 97187461.06 111750943.7 45064632.17 51708116.09 91627212.84 93288734.55 54553101.9 47791726.62 101940361.4 96719909.38 57421338.25 53558166.39 49307682.78 84824241.22 65657223.19 83730585.71 60165617.9 53921160.93 84482724.38 69389686.24 60166681.85 55303616.18 97391505.68 97373215.03 50778800 57418192.76 11266329.74 48950709.94 55353060.74 61783084.54 56435041.45 2_4_6-Trihydroxy-3-nitrobenzoic acid 9.577 4242770.947 214 6265787.159 4899820.665 2512720.77 3691591.449 4291443.266 5094518.276 32855.673 67307.76 3222443.421 1431786.488 6546669.788 43251.4681 42776.0297 57854.4637 6578734.96 5118033.74 2761257.206 54223.0888 4189087.312 4562525.962 2075417.792 3253643.439 4071452.906 5358274.445 56291.5895 41020.5963 3750703.502 3275212.25 6729114.28 6090352.6 46078.5557 61655.9 5866036.751 5763148.265 1199322.56 50595.047 2479530.384 4101943.252 2107288.508 1254130.355 1429003.328 2796731.213 6600583.162 6188840.49 1485843.443 1847969.457 1622437.849 5149241.521 123615.328 63390.6102 1338438.469 42531.6546 1389886.925 2-[(4-Amino-1-methyl-1H-pyrazol-3-yl)amino]ethanesulfonamide 2.176 13670.7111 218.0715 16634.0821 21379.4771 23133.284 17991.5994 18795.4216 19123.4737 165844.1525 157165.2387 28522.2795 49839.4875 14123.8127 246505.6845 300117.6998 109170.646 14543.5889 15606.1938 21590.51 221345.8554 22923.547 20079.7182 28267.8353 18837.7528 17049.3786 15253.5972 244571.7231 306476.1431 15997.219 17493.0254 18030.1468 31353.1911 149607.3086 86685.0681 17159.663 17513.1271 25999.5259 100654.7822 25685.8712 20626.4205 18594.8187 22961.2603 20984.3197 24184.0049 241413.9398 18568.1499 18973.9821 22407.8955 30544.9489 20184.9363 62389.8749 558987.489 29749.3221 914454.0203 25997.1927 ({2-[(4-Amino-2-oxo-1(2H)-pyrimidinyl)methyl]-1-aziridinyl}methyl)phosphonic acid 0.704 42687968.67 261.0741 45692370.18 43280546.2 41395500.59 41053706.61 44127078.89 41816768.78 37372354.19 53166547.45 44218465.98 37667150.15 33510302.36 45927748.57 43793539.66 50584439.86 35799406.89 35250896.15 49987406.67 50992785.15 42398145.15 42024701.16 52025406.24 50809446.99 42152311.47 36723709.05 61543207.26 51791184.13 41912161.42 41562722.02 47375630.87 45235305.47 41975934.81 48406987.28 41694999.17 38859694.29 60471434.48 47757472.23 52124812.92 52077149.9 58111906.88 62896891.27 42665927.11 53102200.15 63875711.01 52929915.24 43614993.17 42549687.1 40636597.84 47848374.67 25122410.68 41916374.16 39048472.13 39836615.79 37191722.48 2-{[4-Amino-5-(3_5-dimethyl-1H-pyrazol-1-yl)-4H-1_2_4-triazol-3-yl]sulfanyl}-N-[3-(4-thiomorpholinylmethyl)phenyl]acetamide 1.154 19272.7972 457.1602 22567.2471 29982.7014 32932.6691 23856.3468 26683.2154 26452.1489 232147.4457 864279.8761 37920.6064 63956.2933 18820.8861 759165.608 890166.8303 674267.6866 20772.9087 21550.7665 29223.7971 1249163.842 32911.1728 27886.8394 38596.3106 25897.4621 23526.7694 24805.0521 977463.8331 647725.6304 21642.3996 24062.3929 24189.7677 24819.4315 904312.355 458279.3557 23454.2125 23286.3995 37155.7327 970675.866 36132.7317 27469.3449 25672.0006 32422.7406 28121.0464 32715.7605 819462.3379 24983.2105 26922.2616 31521.1345 41420.6333 26563.409 230994.64 1219147.248 40757.0139 811519.9426 36529.1661 2-(4-Chloro-3_5-dimethyl-1H-pyrazol-1-yl)-N-[2-(4-ethyl-4H-1_2_4-triazol-3-yl)ethyl]acetamide 1.265 1137494.326 309.123 2467257.212 1896843.05 988422.212 974123.6502 1820102.885 1993135.06 21059.3403 47257.5791 1099409.59 707364.0455 1095512.657 29724.4799 27420.0453 38952.0631 850393.0691 898936.0326 1522195.306 34024.7508 1595275.633 1693616.123 1591993.356 1931495.687 1533138.595 2041940.21 37722.3501 27121.3314 1594313.753 1398883.649 991426.0967 1007811.94 30034.5557 41793.816 1605860.776 1703760.606 866852.055 34965.0666 1345020.266 1596076.124 1706957.739 1242736.668 1639627.452 971782.9322 31947.6834 1008048.605 1661508.099 1168335.414 1407905.47 930974.7137 82211.8597 41574.1803 1254572.272 29787.5296 1366784.659 2_4-Diethylthioxanthone 1.05 62651878.74 269.1001 61064852.17 54263678.91 45869831.21 48059283.51 47528409.25 60282266.34 47842911.89 33940658.5 40727710.74 18580845.18 39662946.65 47535384.78 62569271.12 53558736.77 36969844.82 36664354.37 73805507.57 62103579.38 59803404.66 79637837.56 72125051.27 86569868.1 66095335.9 88280731.14 45588688.43 51590558.5 56415178.48 55024514.36 46629914.38 62597986.74 48802337.69 45350740.88 49669007.74 50636661.74 67126452.22 50671135.22 67442022.69 73257534.06 55969094.74 69479179.59 65413329.11 66139116.93 54053089.89 43783498.99 84320512.71 84126266.86 60756272.81 60433719.2 12233963.55 67449338.54 55233863.05 75661168.21 48091284.8 2_4-Dimethylbenzaldehyde "2,4-Dimethylbenzaldehyde" 0.999 44985106.26 135.0808 49051832.5 39470498.7 34059791.38 42744288.3 24213566.67 45264997.75 51425559.46 34652003.63 20544156.45 10702659.16 40523128.36 43229285.87 23639949.67 21183845.85 37525993.21 36304596.63 30782765.92 21442115.08 29287745.47 36094985.52 25619196.5 35551542.02 38487747.43 46981040.52 22590835.06 26200165.98 43619936.3 41492436.13 24564296.02 22967203.54 46168697.14 42776106.19 25683885.44 28423181.02 29793274.87 41219323.95 30614725.88 38702053.66 39190993.94 34897010.29 41150274.18 31853949.04 28019603.92 27391574.04 42264778.7 45200574.62 24795029.88 25554621.51 7915826.546 28699402.14 25089824.74 27880508.79 25706532.43 2_5_8_11_14-Pentaoxahexadecan-16-ylphosphonic acid 0.697 45663820.65 349.1634 56373694.04 54496818.84 42706177.45 53200895.41 53387766.63 48803132.95 48431862.14 60048821.2 48470144.5 37247123.06 46376046.92 52834967.59 60791799.06 58687409.66 44012637.38 50745700.7 54841402.22 63981001.99 47413858.59 44535099.06 50260476.76 65961564.44 59272170.08 47866126.63 64956800.44 61687695.79 54728602.94 49543982.8 49592958.2 60910876.22 49624737.92 56839082.3 56443103.59 51571083.21 67957088.4 52352232.5 57192197.71 61015171.42 67770582.24 74741236.86 43923349.62 55464475.58 76242884.32 63665744.94 48755523.38 58823984.03 46627460.27 57617320.35 27912951.51 48420094.96 41175229.42 47841321.88 43296910.14 2-(5-Amino-2H-tetrazol-2-yl)-N′-[(E)-2-furylmethylene]acetohydrazide 1.371 19097.9399 234.0753 22633.464 30362.914 32026.3226 23722.8422 26470.0674 28127.3576 1272793.6 221201.5819 39398.7926 64226.3327 19222.7722 513871.5867 1011270.101 448010.7017 20291.81 20965.0382 29061.1494 549341.7906 32046.1595 27194.5514 38864.1854 26331.7482 22540.6917 21003.1946 325217.8507 631055.1857 22210.9551 24340.5206 24775.6941 22234.4273 415812.8554 203447.2335 23572.4469 22182.7923 36356.5916 322854.1181 35992.2785 27603.8103 24512.2143 32697.7339 28050.6214 33334.9029 453280.8954 25215.8844 26593.4057 30146.5478 40782.7895 24414.3872 84040.5187 585069.7115 41008.6572 1729561.967 35172.7971 2_5-Anhydro-1-carbamimidamido-1-deoxyhexitol 1.298 5392305.401 206.1139 4671237.809 2241234.788 3169643.664 5387343.592 4137056.111 3300046.053 83201097.75 29382165.31 1397648.431 567136.317 3591183.7 44192773.08 74902791.76 42916383.76 4055206.577 3854419.881 2424810.605 55923740.07 9347475.349 11929226.17 1442582.344 3838949.275 1514869.093 15859755.49 31143678.36 47038783.38 2074531.058 1739883.47 4722687.187 40530355.16 29949975.13 24098753.58 5282134.229 5691111.549 4227576.492 27276083.41 6613728.048 10603943.69 9484976.894 3824229.221 2451276.273 6780620.415 31697272.04 31954079.15 2830246.762 3062298.302 3192423.616 31161650.1 8604909.775 59034031.71 2885130.307 96318774.82 3065758.522 2_5-Anhydro-1-deoxy-1-[(1-hydroxy-2-butanyl)amino]-D-mannitol 2.02 8003391.306 236.1497 10279299.32 7226778.929 3204520.208 5251098.279 6699250.312 7463609.097 18994788.24 2778297.466 2784693.885 954498.3695 8067089.536 9223569.617 8991046.945 5058126.231 640942.7096 6497316.427 3970651.243 8187256.841 9889540.692 12520876.04 3748237.165 7589270.949 10378964.21 23100947.68 5296942.112 18958568.82 9136376.046 8724542.01 7861767.99 3236683.015 5749326.341 1449425.585 7685847.708 8866466.979 6365943.651 4698859.128 4182788.086 6559822.411 16145175.93 7879509.424 7136988.827 4476518.35 6029576.412 6323652.077 8637344.925 9078644.626 4883927.143 5203614.217 1014232.581 7278118.626 4200356.253 12206926.32 6819856.634 2_5-BIS-(4-TERT-BUTYL-PHENYL)-3_4-DIETHYL-THIOPHENE 1.17 19649.0282 403.2479 23389.471 31075.1028 34132.5508 24725.5382 27655.4021 27415.9168 1688987.038 264628.4344 39302.2206 66286.5019 19506.6136 677724.9993 1110983.268 329774.9843 21842.1991 22097.7017 30288.5483 725642.0741 34110.2713 28902.8794 40881.6454 26841.0203 24383.9529 25708.8091 303330.8849 841703.1484 22430.9272 24939.0915 25071.1071 25723.7123 647335.4873 254581.2646 24308.7524 24134.8252 38509.4792 466894.1413 37449.2058 28470.1737 26607.3443 33604.0434 29145.6196 33907.7392 889155.401 25893.4585 27905.9402 31863.41 42929.7688 27531.2307 90697.5201 709709.975 42241.9709 1813835.917 37860.084 (2-{[6-(4_8-Dimethylnonyl)-2-pyridinyl]amino}-1_1-ethanediyl)bis(phosphonic acid) 4.251 3659376.183 437.1948 3926162.284 4043686.895 3897587.779 7584502.021 2995211.811 2858912.437 3787051.372 3499235.753 2050129.613 3184427.577 19022799.1 2485243.292 2591871.579 3373075.429 21861170.72 2563171.128 3271077.466 3256276.467 3247082.152 3688335.759 2343740.717 1631349.163 2683252.124 4988351.936 4413441.603 2166431.553 5110300.938 2992342.675 2358350.353 2200155.743 14178095.56 3153501.276 2379420.742 1696385.963 1940014.577 5427018.379 3217699.984 7373499.457 6958826.962 1140379.384 4035794.221 3937191.228 3881284.386 3103298.706 5757511.428 2963910.596 1892138.217 1406665.319 3257155.314 4165818.785 4650026.939 10517771.74 2701179.953 2-Acetamido-3-O-acetyl-2-deoxy-1-O-phosphono-α-D-glucopyranose 2.126 18457345.65 342.0592 25627766.76 16770827.41 12072167.98 21951374.36 15622242.98 23338195.24 19509.6808 43842.2887 17420108.26 8915131.886 14291051.95 28973.8437 24815.4528 36355.4303 18501097.95 5724301.845 18836877.1 32045.2166 5584249.966 23681125.2 15717353.46 14775043.93 23563869.45 30801520.08 35246.7551 25648.2434 19643155.99 22738728.11 18862216.85 15811287.36 27942.1709 39000.7346 19367973.65 5301565.361 6621646.651 32360.1987 10280031.14 9655007.049 11066560.22 7615370.422 8730816.946 4915711.414 28950.285 6643647.733 9769268.546 11195100.32 9560704.99 11405614.84 72223.3799 38980.484 8468238.23 26862.542 3721016.817 2-Amino-N-cyclohexyl-4_5_6_7-tetrahydro-1-benzothiophene-3-carboxamide 1.192 135332.5013 277.1382 267420.9829 153982.9 75304.1268 287691.2352 271027.6416 155638.2254 21797.8499 48914.8092 79478.8465 62191.7896 167773.731 30766.8588 28823.7871 40318.0352 134691.2273 129751.7891 485205.45 35212.0279 251979.4603 295823.5462 188912.7022 423225.8371 595401.8786 592343.8304 38972.904 28340.5773 471555.8457 535432.1377 163790.3049 177825.554 31682.7638 42635.4843 249258.6088 297967.2267 57543.1337 35761.611 162660.7649 344014.3432 316757.173 171955.2882 301156.3262 154437.0314 33068.0257 302609.8711 269956.1855 322328.6287 48620.7782 239116.7212 85094.8674 45064.0416 43732.7723 30561.5077 140504.2829 2-AOD-3-ol "2-Amino-14,16-dimethyloctadecan-3-ol" 0.645 14180918.28 314.3426 8492408.544 6473403.764 7141846.301 12776072.28 7925917.867 7900115.276 10352913.08 4099742.798 4413594.966 1951821.077 6433700.396 6138030.792 6528115.151 4598943.526 6122379.989 5320474.864 7660611.792 5513856.213 7079469.263 9044217.497 6674372.644 11009909.28 10779970.41 15693618.53 8739965.106 12300341.6 9844160.302 9786415.802 6797550.383 11906126.78 6347560.623 5012833.866 5775338.882 7525751.127 6530878.639 6492304.481 6645411.931 10623748.81 11348170.44 8644644.98 7544332.329 8749391.833 7230804.889 8231392.98 9382660.645 10973890.52 5237073.412 7560395.673 1958522.405 6878046.047 3843909.147 8976404.658 4838739.721 2-{Bis[2-(dodecanoyloxy)ethyl]amino}-2-oxoethyl laurate 1.547 104206035.9 710.5948 26876867.92 20022976.98 37966999.6 84539832.91 54904205.06 25401049.84 37346447.05 11873559.55 27980210.15 10876504.81 61303732.8 21387079.65 29921339.47 18713024.57 58674711.66 51023160.28 50149803.08 25155644.4 23416965.63 31050012.7 36906631.45 78860984.59 60044587.19 42891999.65 16104724.2 27839855.14 52144266.53 47367082.29 44300049.56 26273001.56 20340336.17 12614224.05 50360456.69 58684405.98 62245935.02 20635043.35 27082508.6 45828589.03 84616964.05 70783223.99 40303316.22 32932366.37 28946938.67 29233407.48 41090315.77 52663030.98 29899841.29 33076485.92 2393722.979 29362146.02 30877112.15 44985376.8 44354557.42 (2-Bromo-1_1_2_2-tetrafluoroethoxy)(difluoro)acetic acid 8.296 53316.4993 288.8949 67742.0224 82469.3398 95604.7322 67167.7717 73120.759 74734.4053 4717687.428 11097939.89 109811.3823 179728.7197 51875.2907 6747360.885 6084412.084 9506650.154 56585.3017 60309.4687 84799.8326 8309545.143 88407.8512 77945.7811 107984.1933 71275.1044 64269.1831 59009.0676 9174936.416 7177858.589 62261.4854 68699.8922 72702.4639 69823.832 7357047.092 10129291.72 65670.6363 62767.6428 111327.1175 8653354.082 96175.6861 77455.7202 70780.9696 88124.9858 75346.1136 92583.3951 7399391.984 71423.5682 73320.987 83537.7695 113252.8815 76564.446 23136373.69 11073384.38 117159.2273 7449799.816 131585.8617 2-bromo-3_4_4_4-tetrafluoro-3-(trifluoromethyl)but-1-ene 7.548 1812080.151 272.9167 14877859.49 12563743.35 7028762.212 4732482.929 10475628.09 6638297.913 54489.2524 120818.9797 9736956.323 10240085.26 21096985.26 75080.7103 88005.7143 101383.7551 11697682.38 6721094.12 9227691.579 89814.7696 9450931.402 8566313.553 7761871.574 5715554.593 8934252.919 5181620.087 97625.7105 70702.9525 7672639.289 5106248.39 7928306.553 7426416.171 75875.2792 108363.771 7466530.039 4494815.415 9253339.781 3123543.926 16879946.63 11797705.67 21404825.03 6633657.225 9451321.362 8002198.122 79587.3272 12677514.52 550628.8332 5676982.437 9834910.447 6123922.723 8616778.196 106752.5893 11032168.67 74457.2581 5838970.214 2-Bromo-5-(difluoromethyl)-1_3_4-oxadiazole 0.678 2176819.227 196.9164 2223018.512 1840697.857 1311462.778 1945668.023 1810013.883 1967712.495 20237.5299 44007.7897 1224447.691 580421.5957 1872278.493 28976.7351 26477.3732 35612.4069 1830968.12 1747271.264 2103003.382 33081.0193 1435939.978 1613202.325 1717011.475 2504045.102 2095800.073 1935148.724 34720.9012 25821.3092 2008856.554 2005245.307 1926893.116 2153290.15 29354.2729 39454.9623 1936200.062 2008562.098 2544013.085 32897.7241 1757257.238 2388911.583 3419100.296 2771057.24 1750090.54 1882800.486 29277.773 2541785.078 1834155.893 1996517.284 1125814.364 2404887.089 77423.2355 40434.6215 1036038.915 27828.6144 1128973.281 2-(Bromomethyl)-5-(trifluoromethyl)furan 7.555 72656.2612 226.9329 86883.6693 131611.7924 122664.5167 91631.6246 96407.2412 102237.9526 37714934.25 59800911.66 146923.7502 242826.5905 115050.0133 45103388.59 42349589.61 54333913.06 94773.8784 83328.1911 116541.4999 49930351.97 120869.1661 105533.3186 147044.1238 100149.1726 86099.7849 78473.06 59323216.91 53505242.46 83376.2046 93680.0559 106784.5554 92270.3704 48821962.25 67167415.57 88180.8603 84625.3625 141142.5181 54060775.73 140238.0065 103802.0987 119931.3022 121216.7743 104985.5656 125257.6053 54633148.66 94362.3082 101063.0843 113933.8742 161643.7448 98043.111 109603168.3 63385060.03 180338.0709 51426520.53 135470.141 2-But-3-enyl-1-ethynyl-4-fluoro-benzene 7.998 542901.312 173.0773 1081012.875 971690.7711 653071.3472 513813.715 779470.8424 910744.5071 112445.7441 256365.5447 829352.3804 878983.064 2414163.72 155933.3735 153963.463 207758.6969 2229113.464 2332184.209 569050.0446 190734.3909 758877.6746 696091.5086 632951.7645 595499.2677 582871.3118 667441.487 202812.4002 150811.3766 461792.3024 495504.1443 1671126.681 3422571.376 163680.3296 227289.6947 1519524.218 1765929.083 501440.7828 184983.4941 750202.5677 634683.9557 355192.2828 431040.3956 472353.2774 607178.88 168273.6411 1157806.44 458631.5033 337744.9789 807905.8948 1055923.999 431848.8289 224133.6757 828024.1785 157791.0327 637110.8911 2-Chloroselenophene 16.951 2453198.608 164.9014 2159784.599 3207947.205 3846622.718 2546134.843 3137786.169 3102903.233 138882.786 302494.665 5193313.958 7963818.793 2048855.866 194399.7272 186371.5008 264901.7831 2281155.429 2789040.661 3791098.325 233582.0125 3534792.717 3315999.199 5420251.602 3891156.794 3073747.699 2596752.093 271405.3198 193253.2373 2994443.496 2791145.723 3470308.22 2475868.663 204166.7842 281471.4013 3529385.317 2646058.217 5479817.37 226292.9764 4033022.789 3072381.223 3548209.159 4732276.854 4012278.903 4588922.538 1300891.527 2381604.936 3765168.992 3566436.495 4871945.914 2677147.571 554500.991 282808.2981 5377959.046 192996.104 4452088.742 2-C-methyl-D-erythritol-4-phosphate 2-C-Methyl-D-erythritol 4-phosphate 0.718 29670243.08 217.0478 34920945.32 38892180.93 35321145.1 32092201.2 34640358.18 36448131.82 26547095.54 43608680.47 40485926.11 37348912.62 24811474.68 39654533.89 37592602.92 43364020.25 25770829.2 26861402.85 47620479.31 45479411.96 36670662.7 36091965.76 50248169.79 43665998.92 36727048 27907132.83 53172091.21 46788458.86 33514759.03 40283105.46 38392039.69 36123403.93 37618805.49 44917094.49 35263068.88 30619483.27 55301148.41 40234372.19 48569497 44363411.75 42899522.83 54313914.97 41564954.26 48142719.8 51547193.09 45760030.91 38132311.76 39021051.87 37480330.98 38077228.72 29625349.48 40423087.33 36065096.19 32101198.09 32835716.79 {2-[(Cyclopropylcarbonyl)amino]-3-(1H-1_2_4-triazol-1-yl)propyl}phosphonic acid 0.707 37948766.48 275.0899 39853902.03 38980393.9 35377382.43 38982995.58 37886613.5 37339017.28 34901712.02 46789258.43 37149589.18 27766128.09 30965718.85 39270025.29 41169294.67 42896971.45 33152300.2 32800673.5 45851952.51 47495844.94 35372227.72 37174135.57 44566263.2 46703706.02 36425197.98 35930203.68 55171006.92 46458356.29 38559456.84 37469569.57 40613484.98 42809843.17 38374591.85 39483535.76 39026449.24 35077507.18 57086573.91 39234288.16 46530005.52 46308199.98 52818301.17 58612299.42 39045089.29 47587998.82 57139890.04 50207852.5 44976940.55 39228589.98 34078714.18 45311917.42 18457659.73 37120222.24 34367661.7 36188839.87 35020840 (2E)-2-[(4-Bromobenzyl)sulfonyl]-1-(4-bromophenyl)-3-(3_5-dibromo-4-hydroxyphenyl)-2-propen-1-one 0.633 191484.5665 688.7264 544585.6334 560353.1255 469032.2815 356721.25 547432.5668 563906.2313 15468.179 33624.1021 689532.5511 463738.0457 336421.3515 22147.8277 19913.675 27219.6799 298077.4002 362807.1546 663545.3079 24951.8092 804180.2246 778776.9404 725885.9495 359273.0805 776815.8909 677667.261 26770.1465 19477.1013 702055.01 763374.7478 828747.5573 285949.3866 22436.3917 29517.5205 694546.3651 715781.7033 205743.7372 25144.7627 497076.8705 310850.9029 254059.313 535034.7107 790918.6154 719423.1516 22377.9204 291033.1013 519172.585 886815.0652 877895.4812 238435.6853 58142.6152 31072.0681 801017.7518 21270.2831 918963.5734 (2E)-3-Phosphono-2-butenoic acid 0.269 42946.9787 164.995 51284.1977 65787.6239 72866.3422 54124.5056 55923.5972 62472.6392 412949.3927 772334.0489 87335.2092 155641.8977 43327.0477 624265.7692 2847116.534 4823072.359 45965.6468 46646.9696 65212.647 2230081.971 70174.2732 62210.1912 86812.3751 58199.2736 50865.9119 45605.8528 701041.5772 296310.4504 50319.1343 58745.386 57793.1782 51406.5803 1134978.68 855494.3863 50961.1691 49613.0781 82210.5295 408149.1256 79746.0082 63042.4904 56997.9768 69275.545 62753.0842 72352.6313 633811.5945 57118.3481 59584.4665 66482.1949 91171.4544 56043.2915 10424401.4 1413779.997 94442.0627 574330.2739 78589.5817 (2E_4Z_6E_8Z)-5_9-dimethyl-10-oxododeca-2_4_6_8-tetraenoic acid 0.968 1280664.694 233.1185 353782.1209 288807.6383 618367.4385 1180831.086 662926.3326 362951.888 14025.3411 31383.9433 551776.7533 298531.5362 720693.9515 20941.7228 18911.3772 26199.7129 615586.6644 675126.3782 802226.5973 24080.9142 637003.1067 825741.0143 679679.8042 1105572.939 986435.3109 1287026.994 26577.9824 19578.3703 890237.4283 964346.4505 908255.6068 550896.1126 20860.9097 29086.2935 892761.846 900059.7484 466312.6665 23256.468 603374.4248 846541.2125 557871.7809 461450.9825 816214.6611 724580.3027 22074.4215 203664.0116 985024.0532 1001736.148 527910.8093 704454.8777 54430.5199 28303.6007 587827.5458 20281.9644 567418.1427 (2E_6E_10E_14E_18E_22E_26E_30E)-3_7_11_15_19_23_27_31_35-Nonamethyl-2_6_10_14_18_22_26_30_34-hexatriacontanonaen-1-yl nicotinate 1.401 96652475.56 736.6018 30272776.01 37448023.36 72701563.1 75248228.3 64514912.93 40023884.06 39411004.99 34460884.23 45523125.22 18392361.17 71410122.17 38987353.18 79739862.53 28454070.35 48603000.82 54823619.51 82779117.04 28730496.87 47470527.74 58146324.02 77337756.74 75445654.87 46578526.4 45021406.76 32614693.61 55793646.5 30391590.43 25975801.79 44335055.01 27032667.23 31359020.75 32013843.21 42310842.28 47597660.62 112143043.3 35838124.39 64605941.07 89671990.93 36180045.96 98262981.21 70696196.68 58930180.27 33739760.08 47283455.7 75060580.4 68777001.61 33690816.08 51092594.94 8256035.935 54704919.71 23689167.98 74124861.48 41283577.86 2-Fluoro-5-methylthiophene 6.049 16432058.47 115.0026 954927.9153 776398.8074 9225442.692 15233188.32 13790554.08 1700333.815 89261.9003 203756.5777 9156429.85 6778385.179 9791182.098 126765.4024 121271.1359 169183.4289 9040206.761 8791528.028 6037084.825 150888.8485 558816.9236 4949671.414 4880283.864 7865908.376 11200366.09 6714347.74 163239.9372 120960.3533 11310163.04 4263243.436 12541692.83 1756637.5 132537.8505 186255.2773 12512087.72 15271920.5 3401053.006 153453.357 4428554.132 5805852.327 3110772.06 3415600.678 4116308.215 1261418.603 134184.8168 2006335.545 4310707.588 4846360.36 3958347.466 4035488.829 355544.2348 184649.5931 4288100.91 127189.5828 2697336.026 2H-Pyran-2-one 2.097 4939725.73 97.0287 5011542.639 3565681.05 2491827.33 3685553.033 3982903.684 4163401.073 5310870.02 2284275.434 2173243.223 1225606.156 4190402.476 3286296.898 4114193.687 3598329.863 3052214.443 3245316.925 2904497.5 3609996.511 5734813.063 5655473.788 2356020.449 3728236.886 4431016.388 7248299.82 4039966.488 5351671.719 3920249.23 4782404.314 3064245.445 3833025.878 3837645.239 3484222.089 3180272.7 4055343.406 965936.1493 3488599.587 1203481.202 1774982.973 1185139.337 749088.2286 1271068.919 1196698.802 1890251.904 1887084.318 1297977.844 1569158.99 804930.1231 2001976.81 1233610.488 2572478.842 847190.8786 3500318.921 1119813.9 (2-Hydroxy-3_3-dimethyl-2-oxido-2_3-dihydro-1H-1_4_2-diazaphosphol-5-yl)cyanamide 0.743 16908806.12 189.0528 19632508.96 22912602.88 23719224.73 19030820 20189584.4 19986836.43 14512078.02 30775464.59 27610478.11 28369344.44 13149061.19 22210858.08 21011697.12 29412201.69 15129298.46 16088523.6 25345356.46 27710069.7 24757360.24 23531413.27 29692050.39 23386237.58 22095942.51 17009228.95 32804135.29 25141780.06 21303983.49 21943083.51 23074762.73 21910298.87 22406551.89 27967328.43 21526585.15 17986164.38 31665794.5 27087486.16 30029486.24 24336622.14 26805004.59 30236752.32 23779895.63 25417269.14 30104551.39 25841389.93 23244054.66 23014245.03 23182878.96 23624986.49 27528352.67 27466121.05 25417985.01 22114535.29 20863900.63 2-(Hydroxymethyl)-3_5-dinitrophenol 1.584 779853.067 213.0162 1042051.847 699990.4451 406354.766 724408.8078 641988.3276 830021.9048 39658.9117 89781.4333 408830.7229 118499.6962 6846310.475 57450.3908 52988.3734 73459.3884 6063988.88 5987440.942 650655.4424 66399.1677 942396.254 1058699.92 454656.0106 921779.0232 439420.0424 1556100.795 72605.4695 52628.901 406930.4318 391898.911 3199674.731 1770006.602 58137.4995 81562.0627 2966049.801 3200073.688 398876.0034 67401.4189 376836.5845 542641.4512 668265.3924 474796.8616 215759.8894 465560.9994 60399.2199 911103.1541 166807.5258 219085.6345 133669.3044 945598.8036 152645.7116 81794.9063 167826.0285 55475.2884 289628.7974 2-Iodo-5-(thieno[3_2-b]thiophen-2-yl)-1_3_4-thiadiazole 0.676 4606774.07 348.8418 4793337.503 3794276.288 2617733.724 4109514.45 3983139.231 4002406.805 21127.6484 45943.4088 2527084.595 1045869.718 3804817.797 30251.2349 27641.9422 37178.7672 3885999.613 3610816.341 4465226.959 34536.0402 3251479.803 3620862.875 3519058.562 5452136.676 4408559.201 4368978.503 36248.0499 26957.0222 4383060.352 4351330.284 4308994.402 4567356.635 30645.3782 41190.3318 4188451.851 4465021.326 5068664.087 34344.683 3760598.246 5051433.906 6538142.642 5697686.338 3754366.257 4067487.721 30565.5136 5339530.168 3973569.395 4213335.072 1987255.189 4990885.847 80828.5847 42440.6603 2150542.971 29052.6158 2389337.091 2-Iodothioanisole 0.271 52167.6356 248.9242 62463.5493 79912.1359 88510.6451 65744.9622 76998.2847 75885.4285 14317619.97 29343033.2 106449.225 189057.998 52629.305 18317361.55 18604211.72 26160504.84 55834.4076 57318.6961 79213.7122 24364337.65 86584.977 75566.6333 105450.872 70694.5772 61786.7529 55397.3663 21299467.89 4879770.882 61122.5829 71357.9392 70201.2937 64183.2611 54082581.87 78282547.21 61902.4616 60264.9374 99861.0165 20577343.52 96867.3659 76577.626 69461.8292 84148.9088 76226.0845 87886.6412 20447938.39 69381.5784 72392.251 80755.8302 110745.8396 71299.7872 57616897.85 29229198.45 114718.6429 19335618.37 95462.6563 2-Mercaptopropanoic acid 1.878 68470.5209 105.0016 82199.0169 106669.0573 117311.9679 88174.7662 92605.1529 94767.5249 1266139.67 14262629.74 142169.7242 246861.2997 72698.7688 6440993.033 4121497.254 11386444.41 72771.3728 78059.9175 106180.7594 8754831.336 116586.4637 102913.6307 138044.5755 94605.5082 83466.5413 73808.6592 10900595.39 5232309.941 79455.8469 89125.8486 90909.5479 89847.9647 7093347.212 13446928.7 84193.8035 78831.7721 129589.5963 9153463.769 126613.5824 99850.6415 97272.0547 117323.3442 100266.5722 118350.6143 6824327.37 91218.9316 95498.9942 109992.6319 148723.571 96397.0179 44801617.41 11547627.11 148390.3404 3453021.435 127801.3331 2-Methoxy-4-{(E)-[(4-oxido-2_6-diphenyl-4H-1_4-oxaphosphinin-4-yl)hydrazono]methyl}phenol 1 4360849.001 431.1172 3416435.249 2209618.935 1943961.505 3803770.65 6516508.891 2539127.83 16304.5764 32553.8551 4074944.737 1969745.905 3638402.319 21455.3062 19743.8049 27486.8303 3092904.445 2864136.051 1721282.292 24671.4844 2127228.969 2620447.211 1063059.823 2301884.891 4183655.77 4065927.48 26840.0216 20096.5022 3675701.504 3813649.107 1789567.498 1515612.437 21372.5111 29799.6177 1588525.595 2048849.061 1922584.639 24424.2826 1559024.226 2451426.532 3393663.52 2320191.728 3425594.38 1867980.712 22615.7836 2781145.475 3931861.847 4532225.622 1343722.961 2731334.341 55691.4072 29372.9925 1214361.827 20779.3676 1637260.717 2-Methyl-2-propanyl (1_3-diamino-2-propanyl)carbamate 0.649 70049823.21 190.1554 81066018.58 55512748.45 32230242.57 62031427.91 34119844.92 62702617.01 122913284.9 48135554.63 20093672.62 9240529.362 75003465 70219723.85 41950925.02 27240054.04 62513860.96 64015203.95 24279066.22 35255331.32 33106465.34 41340675.16 18135728.67 35034538.97 58961723.64 60020782.48 15810073.31 11011083.66 55311489.7 52090621.49 22073962.49 10305331.82 57474384.3 45240652.9 21082724.17 24703067.98 29617636.01 54852981.65 31177315.6 51781955.43 54167620.64 37512920.1 55904999.27 35519874.98 29722163.71 6222511.777 58997856.27 67043950.34 26523640.93 28236489.12 4442263.549 23761463.43 24829873.86 33307863.36 26759875.99 2-Methyl-2-propanyl (2-{[(1-{2-oxo-2-[(propylcarbamoyl)amino]ethyl}-3-piperidinyl)carbonyl]amino}ethyl)carbamate 17.076 3192073.239 414.2711 6517282.614 5732472.821 4078208.17 3995353.864 3328934.191 2893902.715 1308992.895 4373745.553 6174487.767 7820245.993 2165209.606 4377255.079 3440566.085 4439712.829 4533372.207 2563054.581 5056172.405 9867183.115 4048479.219 3262598.721 4762970.664 3366835.76 3290042.352 2964656.818 5314790.174 7428934.858 5535316.363 3232955.897 4384041.715 3170525.86 3593401.861 6108265.713 3464768.403 2430453.707 5182517.232 4091753.458 5220868.329 3024456.781 1704855.56 4507921.381 3649561.364 4785675.669 3284512.991 3539493.67 3402628.891 4677589.375 7366091.215 3057347.962 19900959.26 5939503.749 6123485.002 4473622.408 4203089.256 2-Methyl-2-propanyl (3_4-diaminobutyl)carbamate 0.703 5717425.426 204.1711 2482970.05 1560578.799 3291159.37 5269928.865 4578286.344 1660374.493 11002667.41 4276991.593 2679659.621 1269497.263 6484801.167 7140830.984 8985379.414 6241012.525 5050652.593 5499910.731 535144.3055 7590698.545 2225772.975 2337461.859 674202.7375 1103231.716 2086873.03 4164640.059 7770231.284 9719304.291 1963904.054 2235935.049 6103674.754 9262367.235 11252861.47 9525899.795 6376341.393 7323079.104 514630.5174 10235966.91 1491645.362 2082227.232 467195.4535 492491.1975 2450185.24 1192316.967 6112044.47 5462725.871 2636206.961 2724477.047 6133983.445 5269190.074 1029807.219 4910934.608 5447427.443 6102067.526 6668850.664 2-Methylbenzothiazole 2-Methylbenzothiazole 1.198 16698.8506 148.022 20046.5393 25428.4692 29007.7637 20987.063 23503.118 23299.5898 2042227.776 555444.3325 34133.8521 56334.0019 16509.6707 1435545.882 1862145.678 1137816.002 18562.7307 18600.9385 25740.9139 1241017.719 28988.8292 24710.633 34743.5243 23124.8389 20722.8562 21848.7936 278886.2072 812240.9336 19063.065 21117.9045 21306.8386 21861.4592 574277.9677 435542.9276 20304.411 19626.7219 30570.65 766509.1582 31826.4438 24195.5567 21568.6547 28171.813 24769.5887 28816.7061 206456.4426 22005.7191 23716.0393 26811.6685 36484.1349 23397.5901 77079.8597 697963.6849 35899.6055 760020.267 32175.6312 (2-Oxo-1_3-oxazolidin-4-yl)methyl (2-oxo-1-azocanyl)acetate 2.718 367912.1769 307.1272 389766.1882 509544.9434 493294.5494 540029.9102 576449.377 614679.1071 1819010.404 808968.3859 866874.3415 1009731.665 977809.3197 564762.163 827379.9765 659561.2404 422974.3292 397100.668 499095.1007 1055566.552 454068.9633 426573.9849 891145.9271 381163.123 455111.4184 391848.0076 651907.3802 887912.1348 386091.7932 370765.5668 3781188.075 923449.87 1301127.454 776830.1279 3791141.803 5164825.686 1141727.907 1114091.022 611745.1409 540054.6317 562136.9101 493540.4482 372403.7506 724899.4364 1199013.781 1006206.095 475254.4399 465860.6471 894550.5113 928483.6319 1431337.527 6745296.43 659216.7946 12766139.76 639722.2008 2-Oxo-2-(2-oxo-1-imidazolidinyl)ethyl 7-methyl[1_2_4]triazolo[1_5-a]pyrimidine-2-carboxylate 0.703 30500939.97 305.1006 32713094.42 32215419.33 27645994.84 32022681.63 31748658.12 31817870.89 31229418.64 37984579.47 31736114.57 24106746.11 26508699.85 34153921.97 36095136.29 36018737.58 27055786.73 26973825.29 36175173.11 39243620.36 29710553.91 31033514.07 34663699.79 37299581.66 34572428.92 33204858.08 41167098.06 44460336.27 32008590.07 31911616.45 33282959.63 38177691.58 31540765.5 36674216.2 35243057.6 30312377.07 45466509.05 31539990.86 36911539.55 39115643.54 42928503.94 48007908.92 32023056.55 41546759.59 45349640.79 42335424.47 31399840.29 32964120.34 28448881.35 36994129.05 15953047.83 31971759.71 29182159.44 29837605.39 27641673.65 2-Oxo-4-methylthiobutanoic acid 2-Oxo-4-methylthiobutanoic acid 1.988 10687793.65 166.0536 24555731.73 19577274.45 2579793.674 8462126.237 14420268.92 22567717.73 31677226.08 8740467.144 6324852.732 2691901.707 11634580.58 16230987.35 15237650.28 8115676.516 8967307.164 7209698.37 10571380.45 11365270.11 12186796.66 16834309.22 5603599.441 16242716.87 19991581.8 29851813.01 17089661.67 39113728.71 14543861.15 18047156 11770294.08 38241744.79 13986845.21 9749648.648 10784583.24 13287663.43 10269157.62 10989045.91 7019492.661 16826678.19 23169304.31 11209838.95 6026239.655 7789192.925 13105850.06 12745369.35 6887041.05 8330241.953 3462527.466 12881088.84 3161179.714 1496497.001 1668944.254 1058219.872 4486652.044 2-(Phenylphosphino)pyridine 2.521 33633.465 186.0482 46676.7927 28732.468 32504.6299 35352.0037 211302.2132 25535.4426 22692.5545 48479.8723 38386.8226 66282.2295 482724.1536 31821.639 28403.0512 40243.3432 394435.759 338371.6353 28151.712 37063.7605 142483.6457 137975.0961 38064.1485 25401.6316 59067.3973 244732.5768 39768.9197 29415.868 65886.1782 47531.0714 686183.741 431865.8402 31628.7011 43579.2038 643626.6282 857566.0462 35278.0717 35869.4657 34065.4742 64190.4546 26213.2452 30645.4917 26364.4774 37806.1672 31741.5876 347141.8088 34714.3437 30915.0225 98600.7051 351412.6342 84052.8571 44007.2763 40684.4378 30822.3465 93176.8967 2-(Phosphonomethyl)pentanedioic acid 1.414 19478.7751 225.0163 23084.8016 30968.3859 32664.9647 24195.9032 26997.9113 28688.2498 451000.1001 636705.0003 40184.4504 65507.0805 19606.0967 489567.095 537839.5565 594160.2873 20696.4523 21383.1054 29640.6625 716987.1445 32685.1972 27736.8423 39639.1825 26856.8339 22990.1793 21422.0228 551511.5395 523596.9142 22653.8674 24825.8989 25647.5704 22677.8077 515411.3398 497930.8148 24042.5089 22625.143 37050.027 468351.4707 36710.0064 28568.5395 26498.9797 32882.3413 28609.9834 33999.6396 347413.9377 25718.7185 27123.7091 30747.705 41596.0458 24733.5054 976992.4089 898617.4149 41577.4861 776949.4404 35313.5193 2-Pyrrolidineacetic acid 2-Pyrrolidineacetic acid 0.832 30428982.45 130.0866 40512061.33 62219716.76 71800071.1 29175427.03 40769168.24 66610131.49 54523282.81 43358542.37 26669384.19 43713146.62 32921045.48 76334370.02 68158582.91 72436183.64 63934879.21 65906316.77 63865897.32 52463501.58 20648691.74 14949742.46 26931728.74 27914406.26 14848220.95 16259888.02 41255881.67 47133306.69 21110942.25 31569728.94 46285219.77 36309284.48 17617568.11 19424606.41 71327689.81 60892116.98 43757245.95 38148947.33 73499856.36 22468367.54 54444826.36 69291642.27 6426978.185 57988184.52 37245936.26 34302947.79 5751574.219 24832718.39 92334254.41 32254189.4 51313120.63 23129723.79 30374054.24 29082325.4 23098726.42 (2R)-2-[[(2R)-2-[[(2S)-2-(Azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid 0.999 30124.4226 655.3264 24473.7582 30782.578 34472.937 26399.8599 26856.5172 27378.3038 3061085.017 1116902.066 40558.5523 66331.1515 20049.644 1987640.929 1567711.952 659332.7466 21331.8964 22891.1786 31216.2912 1146392.423 34870.1422 28758.1506 41672.4395 27823.2931 24303.4016 26226.03 799558.4687 1120146.918 23128.5923 24035.8699 26717.9528 24429.5117 2230236.134 1377391.47 24657.2142 23524.3508 37893.8663 2089578.777 38594.9228 28675.9144 30633.4418 34647.9296 29885.6529 33960.0375 797337.8267 26133.8014 27644.5218 31899.4746 42798.1766 27504.5574 88828.3635 1154971.389 44266.4838 1693852.68 37082.0788 (2R)-2-Hydroxy-3-{[(R)-hydroxy{[(1R_2R_3R_4R_5S_6R)-2_3_5_6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl acetate 2.028 17898.7675 455.0359 21355.7072 28511.5141 31019.2885 22924.7344 24029.7388 25434.58 13870818.44 24890842 38156.8183 65500.5359 19511.5643 16810369.74 3080325.647 20022778.65 18806.3472 20230.8718 27338.4396 22069628.1 31290.5475 27620.9068 36654.1333 25071.5004 21563.2699 19092.0087 20667782.24 7334348.65 21325.091 23920.4151 24159.7591 23807.8715 18224508.01 28058434.19 22596.7074 20967.6525 34426.3995 26507626.01 33407.3171 26622.6359 23757.0002 30278.2143 26393.3763 31764.0265 13048875.34 24482.1759 25596.2858 29520.8343 38556.2368 24790.9468 8666668.334 5320422.571 39591.2171 25711790.23 33196.8077 (2R_3R_4R_5S)-1-(6-{Cyclohexyl[(2-methyl-2-propanyl)carbamoyl]amino}hexyl)-2-[(isobutyryloxy)methyl]-3_4_5-piperidinetriyl tris(2-methylpropanoate) 1.166 19832.9825 722.4942 23608.4434 31366.0282 34452.1 24957.0189 27914.3122 27672.5848 2009789.195 6074476.766 39670.1683 66907.0766 19689.2346 4523189.769 5512639.726 5092010.514 22046.6859 22304.5805 30572.1099 6963742.369 34429.6119 29173.4684 41264.3797 27092.3062 24612.2357 25949.4951 5279168.95 4237327.313 22640.9257 25172.5715 25305.823 25964.5379 5799467.278 4050356.478 24536.3312 24360.7756 38870.0052 5766271.249 37799.8055 28736.7117 26856.4425 33918.6447 29418.4811 34225.1837 4993234.05 26135.8733 28167.1958 32161.7155 43331.6776 27788.9782 1905242.209 7527254.663 42637.4405 5392011.724 38214.5303 (2S)-2-(4-Chloroanilino)propanoic acid 2.114 8759755.441 200.0476 11941911.62 8367355.268 2672569.641 6623755.142 8551929.273 8374449.669 10583679.64 1391109.875 3996902.382 689931.0253 7583054.257 7107332.93 4356111.104 4489001.412 7031328.967 6885352.004 7776834.574 9593430.339 9619774.754 12084380.62 5164454.002 12123113.56 12018752.85 20094523.05 5127159.417 19333242.65 11531509.95 11551069.17 7401698.266 9817940.291 11692442.24 5783771.142 6206641.516 9278407.825 6579280.883 7942850.858 7313089.364 10781934.26 16786622.88 7636823.074 2474162.656 8072706.402 6041785.372 6329032.003 19571290.89 17596917.71 7595669.33 6632339.836 554318.3058 8233928.297 6066838.696 14140592.83 9379361.124 (2S)-2-Ammonio-4-methylenepentanedioate 1.291 15607.5835 157.0388 18778.711 24016.9893 26391.7645 19676.5278 20688.8113 22436.7072 4724162.872 3192361.519 31975.0823 51552.35 15336.1443 3831833.818 5101189.584 4399895.71 16682.1088 17243.2696 24052.3893 4749618.578 26299.7283 23147.8276 32546.1963 21662.3259 18840.9921 17294.3904 3259962.361 4546147.785 18111.3293 20001.5384 19829.4381 18547.7404 3307297.534 3726344.976 19201.2103 18579.3295 29936.6406 3083417.468 28604.3883 22729.4505 20050.3266 26923.8745 23039.3546 27222.3832 3105469.377 20284.8018 21682.4338 24885.6283 33861.3369 20441.2091 3693096.888 6305588.857 34151.1381 6730611.722 28961.8839 (2S_3R_4S_5S_6R)-1-Butyl-6-(hydroxymethyl)-2_3_4_5-piperidinetetrol 1.251 234446917.9 258.1317 758011584.3 576483224.5 198130475.8 233676370.4 400581183.8 555703981.9 604390462.5 382670333.4 243911113.5 78678117.51 305092740.7 587576896.2 574618402.1 430078844.7 251043172.4 239064329.6 322437773.2 482808926.8 773213697 896840121 213462128.7 425925409.7 545977051.4 948297728.8 359632160.3 527414777.6 586352088.8 542836213 488523693.2 404466783.6 377209949.2 333106474.3 488533716.4 402116754.4 365722370.7 394558983.3 315762985.1 449546610.5 620477472.6 433691854.2 554007197.8 325153447 372791347.7 398808511.8 692024745.3 709150327.5 495961578.2 379520313.6 62858984.17 558987686.1 411607956.7 721921393.5 469768743.8 (2S_4S_5S)-5-{[(2S)-2-{(3R)-3-Benzyl-4-[(4-methyl-1-piperazinyl)carbonyl]-2-oxo-1-piperazinyl}hexanoyl]amino}-6-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-isopropylhexanamide 1.193 401941527.9 754.5615 166312347.4 121398001.8 574932244.1 448787450.3 286433704.8 114919498.9 151703181.7 76601982.4 196949254.2 112978969.2 279555937.7 118553340.3 167006972.4 104500896.6 267582969.3 251116751.9 318317528.7 137702315.9 124360040 239414139 281230626.9 503894990.3 221715257.2 238304731 95978061.98 158103540.7 239092836.6 239231831 173507120.8 157580762.8 106820478.9 95023809.79 208444147.1 263649303 290682196 99243282.34 161822832.1 313263519.2 499040254.5 461662472.7 219515561.8 229790433.6 241286208.1 266357062.4 192996597.4 239148643.9 147026869.3 255194988.5 24654067.5 242324532.4 108572102.2 246772221.8 158732471.9 (2S_6′R)-7-Chloro-2′-hydroxy-3′-[1-(4-hydroxy-3-methoxyphenyl)-3-(4-methyl-1_4-diazepan-1-yl)-3-oxopropyl]-4_6-dimethoxy-6′-methyl-3H_4′H-spiro[1-benzofuran-2_1′-cyclohex[2]ene]-3_4′-dione 3.774 5640729.696 629.2264 408302.1787 539979.358 2027310.187 2771928.297 6270543.417 492884.9325 11582940.86 4145685.923 1010882.892 1209823.903 9043037.587 7972790.511 12287450.19 4435361.492 7476318.074 1116613.639 658954.68 7954082.833 3020036.924 5185735.059 644066.8483 512241.8167 571591.4168 7964457.159 739049.673 2963602.783 383756.534 441371.6439 12091042.97 751908.3823 4304141.065 1338578.408 9280189.458 15718833.45 741468.3898 4084981.862 798522.8049 493959.3515 454366.8048 482978.2058 674662.043 742331.7139 5137008.627 4790039.539 635447.3324 511430.8556 5653181.402 6861441.996 1638133.898 14208538.95 3607875.22 16120433.51 5843842.455 (2S_6S)-6-Methyl-2-piperidinecarbohydrazide 0.64 1874754.329 158.1292 770566.8168 603541.5279 551214.4583 1463462.257 2387638.092 780498.8083 3642465.412 1437033.576 1962281.461 1052413.673 1922849.582 2301604.735 3961754.386 2760026.102 1921334.152 1825734.131 401969.802 2955947.871 1188615.885 363617.7515 601159.754 370764.4295 2050547.47 893513.9274 3377995.958 3537611.623 1923173.27 1948933.76 4977630.685 3745428.73 2830977.101 3615329.069 5179951.894 6116083.295 662514.7852 3614609.351 788970.6328 1525466.221 387305.1935 408275.374 1854379.844 729866.7636 4716556.798 4417018.995 2866250.883 2382396.854 2304015.967 3482452.062 1536492.395 3869200.729 3762317.045 6245055.394 3121994.524 (2S)-[(Aminoacetyl)amino][(2R_3S_4R)-5-(2_4-dioxo-3_4-dihydro-1(2H)-pyrimidinyl)-3_4-dihydroxytetrahydro-2-furanyl]acetic acid 1.107 11888.4047 343.0898 13920.5827 18494.7979 19877.8535 15333.449 15390.633 15875.4301 1833123.818 952208.4421 23375.4816 39451.3724 11609.6438 1428306.193 551414.4958 266456.1421 12813.7469 13293.5677 18026.6685 510193.499 20359.9603 17201.9676 23808.0936 16245.4497 14105.1894 12669.8046 481818.7085 865199.1881 12976.9135 14842.8618 14748.4564 14193.9391 1433012.605 1389357.504 14467.7064 14364.1911 22919.4747 1545074.548 21784.3279 16616.1268 17886.2379 19999.9335 17346.438 19876.1107 1001385.775 15050.2754 16606.9688 19443.7788 25550.2742 16690.1044 51927.3335 496934.3516 25135.4081 668470.5431 21392.8412 (2S)-N~2~-[2-(diethylamino)ethyl]-N~4~_N~4~-dipentyl-N~1~_N~1~-diphenylpiperazine-1_2_4-tricarboxamide 1.547 11683765.37 607.4352 480145.2986 630522.389 8341112.98 13298690.18 1431139.655 533916.3907 627967.131 737226.1238 870246.1361 1515823.624 546359.0737 678829.1768 811111.904 758654.5377 880798.8684 489069.0509 9809475.433 669780.0343 646188.4498 601026.3109 7669668.815 11196660.83 1503709.403 960487.2833 626163.5853 632637.5615 1050548.933 1039710.92 707434.7705 495188.638 625690.6702 799707.8409 461275.4155 565489.4634 7831851.555 709562.8044 1618508.576 1281438.393 9602984.872 8870476.256 691694.4321 608580.0944 685303.9809 554251.5604 618642.0587 547452.7177 702741.5187 505721.7963 1420445.77 799795.9395 824237.1373 712806.7412 690064.1595 2-Thiophenecarboxaldehyde 2-Thiophenecarboxaldehyde 1.405 1730784.734 110.9911 1084917.473 261410.5254 1181126.229 1582598.762 999850.2383 657214.2572 39870.4513 90260.3249 743220.7702 114923.7286 1206444.608 55614.8429 54156.054 74195.507 1205246.858 798515.0621 984295.1352 66724.4738 878997.8591 1253655.233 746191.7226 1093385.665 807342.1183 1182296.955 72992.745 52984.5662 785183.0277 650776.8628 314650.9986 1158854.599 58087.8498 81997.1124 731376.3164 526781.607 1142731.533 66378.2073 700275.4476 1445618.077 2204732.58 1550447.867 886720.6842 835174.8521 60721.3876 111486.7196 800903.152 729852.7794 327507.2568 803352.7865 153459.9196 80541.6714 552474.3077 56549.0933 473125.9242 2-Thioxo-2_3-dihydro-1_3-thiazole-4-carboxylic acid 7.582 12385442.08 159.9538 12860089.89 14763466.02 13816345.18 9890591.671 13147668.67 11810778.36 87077.3582 196835.7368 18982566.78 21653607.24 7422221.313 124181.6468 143377.056 165172.2782 13125295.99 11972191.45 15294857.82 146324.3308 13066873.15 11995414.09 16635289.18 14102925.25 12841300.81 9394668.559 159149.7722 117459.2403 12036036.5 10752638.69 12078305.23 13075502.53 124977.7085 176543.9732 10811908.71 9283280.576 15856578.31 141440.2907 16852787.25 16115595.12 25125294.44 14153124.75 14155923.85 16232588.84 129661.9971 14755339.36 13990206.5 11335624.45 16072174.24 10991983.03 331570.2126 173919.0699 16071708.38 121304.1965 12528161.22 (2Z)-2-Cyano-3-(5-cyano-2-furyl)acrylic acid 6.042 28684.0612 187.0143 34054.142 43617.6083 48357.0383 35386.0706 37530.341 39412.3054 1408501.344 74994.5051 57742.6857 93558.2655 27942.9241 255805.6255 395846.381 62269.1692 30279.9985 32208.3589 43769.2744 106086.8405 48962.4838 41589.1933 58447.9986 39773.5661 34305.4321 30806.0433 60081.9784 43537.2795 32301.9716 36813.5238 36623.8808 36566.4938 56453.3023 67672.182 34049.493 33029.6475 55157.2115 56479.9365 52061.3785 40718.2604 36381.6238 47719.3432 40853.3314 49405.2669 595191.0212 36601.4239 38991.5233 45658.9618 61179.0649 36977.2683 130861.3652 604491.5494 61557.7485 1941836.672 52724.9843 3_3′-[(2_3_5_6-Tetrabromo-1_4-phenylene)bis(oxy)]di(1_2-propanediol) 0.667 1364114.601 568.7441 1564825.462 1261021.586 899282.8144 1334902.003 1448538.708 1371182.074 21045.1391 45763.9869 973022.0823 260676.6356 1284552.312 30133.0954 27533.9927 37033.5737 1304108.527 1201322.911 1524695.387 34401.1673 1307729.009 1424938.748 1213119.954 1821765.243 1700016.753 1612646.575 36106.4911 26851.7474 1681720.558 1623169.394 1735908.895 1491959.945 30525.6994 41029.4721 1531751.897 1630555.252 1697160.066 34210.5574 1389664.539 1738109.831 1940842.236 1802352.681 1427013.821 1475402.215 30446.1467 1861759.368 1537248.518 1630489.741 818238.0024 1570034.544 80512.9265 42274.9177 800691.7394 28939.1573 876403.2631 3-[3-[4-[5-(2-Carboxyethyl)-2-hydroxyphenyl]-1_4-bis(carboxymethylamino)butyl]-4-hydroxyphenyl]propanoic acid 1.075 1822493.626 531.1966 273260.3934 258973.6362 1216060.05 1504536.179 3265173.605 257494.1 15203.6745 32995.6158 2287808.812 557641.6799 1949241.42 20682.0492 19492.1862 27145.4271 3214312.283 67934.1096 386639.7449 24059.9206 141036.7791 1304473.01 128036.8084 369436.4305 2816940.394 23109.9572 27727.8493 19840.3886 2375765.779 29811.9354 6064916.109 2609147.508 21439.6864 29466.8476 5304713.335 121832.0762 279909.8914 24456.4789 1022736.967 968835.8411 386139.4136 320423.9594 1454837.133 644541.3503 22058.8895 32277.6445 1788569.894 1547312.355 1870204.811 921638.3762 55843.0229 29622.8332 1652971.397 20466.4931 782285.2053 3-(3_4_5-Trimethoxyphenyl)propanoic acid "3-(3,4,5-Trimethoxyphenyl)propanoic acid" 1.055 131127.323 239.0922 392102.534 326013.582 495968.8783 780698.6152 563517.6586 348861.2831 16060.4577 32066.4455 547805.7458 402573.7744 656938.8257 20741.2582 19448.1926 27075.2863 665289.906 571842.2134 612555.3459 24005.6178 856545.3404 927894.6475 529059.1115 825706.6208 835766.0198 1255674.436 27665.2679 19795.6092 836577.3013 749707.6588 715143.7245 681446.0938 21391.2974 29400.3414 628353.2043 771508.2222 545763.4351 24058.5923 711926.4631 889708.0145 765073.0356 685968.2364 1073369.608 863468.0423 20988.4875 629505.9781 989830.4259 1152888.019 976795.9165 735087.239 55716.9861 28935.5977 824433.4748 20350.065 1251023.852 3_3_4-Trifluoro-1_2-oxathietane 2_2-dioxide 7.567 62188.4716 160.9522 151883.462 155364.1794 104991.8986 78430.0015 82517.5818 87508.2464 14350486.36 20214314.65 125756.0369 251783.4716 98474.4379 15258291.97 14387333.16 16966058.64 81119.5421 71322.8668 99751.0418 16227683.93 187411.1865 137390.1104 374233.8271 85720.4027 73695.1494 81031.5452 19689506.4 19091701.45 71363.9629 197873.3387 91399.8075 78976.7215 17332818.36 22782440.76 75476.3985 185837.9227 120807.7229 18764486.81 254830.4567 88847.0416 102652.4659 103752.7365 89860.0032 152228.1738 18344533.29 188258.725 86502.6447 97519.104 349805.3634 83917.7673 36668886.48 21398199.44 154356.2634 15871529.43 115952.5809 3_4′-Dimethyl-4-biphenylyl 5-methyl-4_5_6_7-tetrahydro-1-benzothiophene-2-carboxylate 0.88 3964138.319 409.1848 11371015.4 2371052.273 743892.3361 3027143.146 1314517.88 2152396.686 5912941.664 1259942.496 9696599.198 575170.2768 8326501.914 1356066.418 3469751.373 12130008.66 12622742.41 11752982.21 2411672.889 1939458.993 2370031.712 11281087.37 1285832.068 13043962.23 3006557.333 5733453.802 2597627.891 13112028.27 3925710.708 2483611.077 2808921.015 11787987.36 1773401.574 936678.6087 3984517.6 13186996.63 12994965.62 895616.4165 2030975.191 5256327.972 15416682.41 3571649.663 2145284.886 1627978.94 14800579.38 13235771.5 11440999.4 11640075.93 2509301.63 11949508.06 3679583.162 1557075.157 9233395.069 3913673.22 1201250.617 3-(4-Glycyl-1-piperazinyl)-2-hydroxy-1-propanesulfonic acid 1.274 999004.6784 280.0969 1885126.718 1530358.648 620595.8015 967827.308 1299736.536 1684905.043 16793.9913 37686.0509 977998.4375 312915.1668 1314525.059 23704.0975 21866.402 29972.9281 913617.8158 1024287.29 1056399.32 27133.3936 1991950.526 2233284.506 774354.3587 1317415.491 1929106.756 2031234.781 30082.0828 21628.1895 1702777.331 1500432.928 244640.7421 1342527.511 23951.3707 33328.9159 1407126.92 1441402.207 1360440.477 27883.2582 711409.9099 1320139.43 2204708.222 1812269.115 1821654.26 568092.439 24743.3465 1138094.852 1570845.295 1434081.071 1403590.374 1020519.932 65560.7078 33153.7651 1397988.883 23754.3772 1487901.197 {[3-(5-Amino-4-carbamoyl-1H-imidazol-1-yl)cyclopentyl]methyl}phosphonic acid 0.701 16082844.99 289.1057 16951712.24 18532726.81 16175879.12 15815229.56 17193307.14 16171960.84 16690345.34 19836625.41 14752609.4 11030486.9 15130966.03 18079981.34 17765940.54 17457216.06 14001599.96 14700435.09 20852900.65 21850080.72 13250478.39 14801964.91 20348432.23 19117160.38 17589385.69 14687827.04 23167551.51 21846422.09 16737312.2 17489680.2 16668145.71 18064875.39 16991518.41 20099482.24 16994901.29 15501717.65 22760760.93 17005463.32 19895422.76 21312439.21 22327892.24 23966156.78 18435611.92 19127196.67 23310064.03 22462632.26 17621370.28 18076127.94 19597944.37 18657086.49 26274462.52 14548291.03 14369276.91 17290806.9 14507829.82 {3_5-Bis[(4-ethylbenzyl)amino]-1H-1_2_4-triazol-1-yl}(3_4_5-trimethoxyphenyl)methanone 1.428 514105.652 530.2762 504211.1544 293658.51 333147.0664 271693.6403 911044.3696 383241.0872 8103113.359 671520.551 386154.2196 658921.6569 6421530.418 2561985.137 1703566.35 324446.9369 4731606.82 3244567.783 349332.4079 976626.366 313896.6983 304643.9984 342038.5014 253692.9689 270643.8011 729207.1843 312164.2486 1569415.046 231611.6157 231107.7519 1654297.349 1223513.115 2359419.472 565343.8247 1251258.018 1616631.106 401542.7059 1911044.885 370662.7416 317555.9744 345584.2364 312467.0057 357639.3746 349774.599 988757.9778 1501405.643 309299.2583 344152.9986 398043.8145 980085.2525 593564.6323 1236922.766 417783.5355 3971692.715 350865.3553 [3_7-dimethoxy-17-methyl-6-oxo-4-(tetradecanoyloxy)-9α_13α_14α-7_8-didehydromorphinan-1-yl]methyl tetradecanoate 1.184 161421579.2 780.5766 72594724.66 51816669.86 102344396.8 136741980.1 86758734.05 50699218.8 57663702.82 27161553.85 59116070.84 22113090.48 89286639.69 46835083.52 65406798.13 36319065.64 86956831.31 81199346.98 122378895.9 55424075.85 63068457.09 67272674.77 85921271.16 169139533 92831189.82 69506483.7 35031944.01 59728045.36 98434047.62 104230522.8 75777056.03 42507922.82 41652804.11 34999412.57 74154476.49 98675103.04 107896124.1 39110717.43 83793659.12 117814673.7 124346176.9 133391559 139372895.9 105663804.5 82164698.95 89774486.74 127767309.3 153536241.7 77262742.15 87578408.33 11693464.01 75696985.43 55892203.35 99425889.69 85835064.02 (3aR_8aS)-2-Methyl-8_8a-dihydro-3aH-indeno[1_2-d][1_3_2]dioxaborole 0.807 519466.5492 173.0775 1828063.8 1155769.711 219136.6643 548723.8735 751612.1878 1109345.328 58675.4029 150558.9206 184835.0254 178820.7772 10418568.26 84013.2967 76766.8063 107131.438 8582219.262 8369910.69 101161.8528 97884.3411 340884.3861 393037.9528 101788.2922 439036.0437 454068.5054 615318.3714 104449.331 76941.4189 464710.731 340951.8653 2252406.352 12422945.78 85469.4125 114393.2001 1797669.259 4001036.823 94855.937 95427.117 156846.6197 415909.2381 101673.0937 84630.3604 71748.3909 237790.5852 86750.6994 1692763.507 69274.3443 78758.037 108256.5214 1956937.415 225434.474 117233.5615 108124.4544 80684.509 125436.0706 3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid 1.354 35623067.71 445.3689 42166260.34 35078268.57 27047342.19 35791304.4 35794759.33 37566913.59 28527422.77 13800569.14 21761800.92 9417933.371 30678393.82 24783021.06 29533252.88 18819809.68 30940121.89 31615779.28 51265147.22 20956411.23 25275614.92 28601549.03 31488352.37 61412864.71 67572609.97 28467933.24 26882219.05 41741421.23 61615397.9 58675985.86 29264577.07 32339356.09 30620406.91 21674396 30379263.98 27965658.23 40391289.69 28341008.6 41263450.83 56756596.2 64345504.12 52914072.91 70822598.45 44167553.43 33473616.2 33472285.46 82365739.21 82809719.7 28170863.49 35941432.96 1454611.457 2806060.239 25260290.19 4285863.359 32583366.39 3-chloro-2_2_3_3-tetrafluoropropanoyl chloride 0.681 16375.4632 196.9183 18923.8589 24175.4192 27380.2702 17388.7276 21032.3237 23569.6274 2289307.912 1538900.618 31469.3266 55081.1945 15024.4109 1846170.584 1954008.24 1559657.507 16945.7549 17414.5922 23473.7594 1828687.486 26781.363 23682.7746 32091.3789 20564.4461 19079.0017 16942.507 1929077.355 2273544.636 18499.6816 20754.519 20126.1726 17789.5594 1607394.857 1392302.278 18591.2982 18187.356 28788.6739 1562952.581 29740.2097 22563.7938 20923.3613 26154.9879 22715.6673 26520.398 2644510.561 20690.4187 22065.717 25086.5248 33579.5792 20539.568 310080.7224 1175028.229 34062.6005 1557262.402 28887.5551 3-Diphosphoglyceric acid 7.568 71162.0947 228.9301 83886.7261 128905.213 120141.9369 89747.2321 94424.6388 100135.4424 5104031.791 7742825.728 143902.2824 237832.8933 112684.0247 5937106.471 5442292.788 6760761.235 92824.8659 81614.5577 114144.8391 6647223.803 118383.5075 103363.0397 144020.1806 98089.6179 84329.1541 76859.2717 7626030.533 7044180.417 81661.5838 91753.5378 104588.545 90372.8423 6461531.01 9205268.215 86367.4324 82885.053 138239.9406 6626424.399 137354.0302 101667.4221 117464.9306 118723.9672 102826.5512 122681.699 7689569.019 92421.7596 98984.7352 111590.8389 158319.5622 96026.8672 13813601.75 8173592.31 176629.442 6652081.129 132684.2152 (3-Ethyl-2-hydroxy-3_4-dimethyl-2-oxido-3_4-dihydro-2H-1_4_2-diazaphosphol-5-yl)cyanamide 0.747 14524660.45 217.0842 16801372.05 18597455.74 17993010.74 1648593.642 17791446.48 16623302.82 27676721.8 32337794.45 1664045.362 1805349.761 14043605.73 29535784.85 17954691.87 29380283.16 15950135.51 14612707.66 2140765.832 31988898.71 1650358.157 1757113.588 1875183.484 20528975.56 19397645.26 12942746.1 27113186.92 24225703.77 16515596.85 17298435.65 20153323.78 20667935.26 16217354.99 18332488.32 18788431.95 14844138.57 1858385.989 16994523.19 2499630.256 23018190.78 1525489.902 1178216.914 1076743.708 1937032.315 27793962.69 24642676.57 23957460.67 17403197.93 1051522.46 4257076.889 1906348.158 19040847.46 1404438.504 16540035.85 1035138.392 3-(fluoromethyl)oxetane-3-carboxylic acid 9.909 99558.2222 133.0308 115310.2864 148200.9118 167382.8435 123332.4115 133035.8602 137761.9159 5188742.25 2642014.323 200245.9101 322638.2044 95558.5157 2778315.426 2314652.348 2313887.495 104416.9501 106905.6506 156522.6016 2356495.401 160767.8642 139058.0199 201419.3661 132649.8872 117872.9295 104393.9909 2152358.713 1973812.03 113452.0044 126589.2055 127578.4612 118999.1582 2076414.153 2196124.67 117084.3653 115930.3406 184577.491 2117088.892 177471.875 141997.8031 128470.6349 158836.575 139875.9627 166853.7543 268125.7094 128254.857 138623.5908 152937.8523 212688.7477 137964.4086 3082725.033 2081581.17 213553.7893 2298603.785 176860.5702 3-Hexenedioic acid 3-Hexenedioic acid 2.101 7059331.739 145.0498 7100881.523 6185273.166 3716362.765 5817241.781 6682319.138 6917053.782 7172682.776 3466002.403 4077150.257 1816334.549 5216401.47 5337220.005 5546537.23 5371177.928 4898691.844 4836355.954 4294407.335 6606898.884 9034131.846 8783864.322 2873717.841 5524917.1 6883623.032 10600920.05 5911148.139 7492096.567 5556414.937 6547823.33 5248107.122 6232176.935 5307522.101 4906563.885 5606003.17 5624130.524 935224.4831 6108284.668 2895123.069 2593150.427 2215954.807 1561818.965 1586580.399 1989484.032 3108306.434 2779710.177 2019260.342 2112903.643 1120562.198 2339805.286 1044246.045 4159854.743 1667570.771 5003067.098 1883061.594 3H-Indazol-3-one 1.888 688827.4558 131.0256 1298982.87 847819.2714 319221.2973 587161.5195 510692.4258 1067020.804 28238.9231 63026.3066 301236.9365 87979.9702 6845844.576 39075.8066 44973.6978 53616.541 6234623.745 5969226.956 567466.7803 47414.5189 735667.4244 855030.2218 448497.87 730486.5905 446505.2098 1382342.214 51162.3708 38417.4999 351688.8747 355724.1496 2474457.793 4364942.84 41308.3408 58392.9378 2504428.812 2508290.764 585757.0827 47367.0901 274945.9889 331979.7394 625888.8507 356196.5595 175167.1083 321414.2939 41832.8834 1036928.823 122041.683 148249.7381 128896.1681 1023435.913 107751.4183 58636.1166 138241.4384 38638.9352 211655.3827 3-Hydroxy-10^-apo-b_y-carotenal 1.017 2270547.621 375.2695 3173305.663 3855744.962 2253811.128 2668777.307 3621527.009 2933843.736 3777911.126 3349053.021 2285601.769 1631022.112 3151180.356 3265756.626 4948166.71 5031915.654 3406061.396 2729840.222 1608255.752 3784843.546 1717937.451 2100876.34 1886458.923 2506306.537 4347289.436 3543904.052 2791893.892 3272116.247 4371634.314 3858187.277 2906069.558 3622687.366 2952497.406 4280884.38 3150865.967 4354317.266 1785741.511 2694313.573 3183809.77 3080264.427 1708373.285 2076442.464 3002796.862 2315078.106 4198258.64 3627364.523 4518707.874 3739923.081 4504879.064 4206026.48 1379892.34 4692976.553 3401622.929 5407717.369 2737680.97 3-Hydroxy-2-(phenylethynyl)estra-1(10)_2_4-trien-17-one 1.036 698878.5522 369.1862 2540508.804 1702785.131 195701.2699 527527.4485 934569.8921 1893324.886 20470.3263 40871.2265 455562.533 176704.1221 1010684.403 26436.3776 24788.263 34509.5985 845843.3244 713217.9313 745178.2954 30974.9437 1307381.341 1624435.251 363925.2042 1054137.164 2234312.631 2898635.833 35261.5769 25231.073 2090413.424 2002960.922 1124674.261 1692121.179 27264.9041 37473.0655 1139182.24 1409094.488 1960249.607 30664.5828 1240043.01 1992891.124 3827683.282 2403450.564 1890595.501 1254593.476 26751.4909 1515951.633 2394574.056 2601030.304 958998.4373 1637399.522 71015.7152 36880.7129 799478.9205 25937.7709 1177940.79 3-Methyl sulfolene 1.163 10097130.84 133.0321 10395942.44 12858242.41 7360202.295 9743637.702 7994853.915 8801738.363 32540163.3 14128890.62 5467265.29 5806117.666 4758137.735 18829178.91 27522804.18 21162556.76 4306777.429 5349435.422 3690722.327 24520297.15 10525958.03 10108451.18 4559090.56 5026245.466 4829806.135 13224654.06 10640825.88 12250354.23 4595938.899 4968551.4 5744438.633 10566135.5 13139433.48 11728162.8 6598681.898 8254286.467 3725842.808 13907147.89 1195836.243 1308157.597 2580529.059 3224529.38 834931.0198 1549360.947 7513478.326 4836831.007 464108.666 277510.5239 4553270.444 5624440.44 5645667.251 10371681.99 3337542.215 14678503.89 3059581.397 3-Methyluric acid 3-Methyluric acid 7.77 1240383.474 183.0505 2588153 1454351.636 823449.3457 1059816.528 1037671.48 3250597.339 755294.7625 950461.7904 506075.2074 175818.2015 1484918.133 1463942.039 1692426.783 1443767.264 1366091.496 2703276.679 855580.7256 1701033.983 2908019.838 1252195.19 765042.2579 2783796.702 3423738.668 9076445.563 1040797.703 536571.0456 512745.556 1374852.409 1090788.143 8008673.091 1323171.564 855172.1176 2031538.024 1596463.527 592285.9512 393251.2312 236202.991 452629.0044 1162453.553 148668.3417 847011.546 1035838.077 1359030.921 551537.1094 887964.125 320368.9255 508272.0115 807788.3032 267377.1677 1764761.825 135506.4663 727613.5632 419989.0982 3-oxo-heneicosanoic acid 1.229 137627445.4 341.306 141694100.4 127733256.6 94863374.32 125452021.5 92030094.93 123328188.2 163047615 120366257.8 91558521.15 66961069.47 87020745.86 96701992.52 112983638.5 105745676.1 65562671.94 70312126.52 124967967 112747897 123957509.2 147783796.4 101015244.4 155675456.8 121022921.3 217303547.3 97221206.07 102647190 125213784.8 127891368.7 99837446.07 85800690.59 87980599.81 113608277.2 106501267.2 106323887 118364570.8 105296018.9 122978892.4 134754401.1 119827951.4 135552657.1 130525941.2 123539947 111520728 95439463.57 142192714 158879607.7 139481940.1 110833071.5 40238188.06 106947520.8 139063395.1 132570943.6 125751150.3 3-oxo-nonadecanoic acid 3-Oxononadecanoic acid 2.179 55823734.77 313.2745 30982669.22 26413571.25 32943161.21 21913800.54 31501507.64 31109230.34 18191933.5 11023763.86 28172373.6 25712889.45 28545164.98 12303062.29 15867926.83 10679465.38 27428975.03 28796618.04 57666591.42 13994497.21 33056621.42 35034909.6 46789397.72 73511463.13 44889272.36 47774411.99 18327385.89 14408371.19 42326102.17 43775638.63 25860272.23 19491927.89 3536719.785 14442342.43 25536081.33 26694519.03 43067793.35 17585401.85 27835854.45 34695940.1 56989274.04 68919323.77 38776801.02 34147062.86 26863217.31 26179212.19 39921268.82 42694509.1 35046436.78 27502672.57 4429793.791 24080573.71 29250675.82 28868401.86 24309280.87 (3R)-3-[({4-[3-(Hexyloxy)phenoxy]butyl}carbamoyl)amino]-4-(trimethylphosphonio)butanoate 1.077 6005899.36 469.2811 5474767.475 5660414.497 4696937.989 7854603.971 16445559.98 5665865.647 15232164.9 9018310.498 10238705.76 5716458.988 12841848.49 10771457.54 14490994.51 10818204.67 12009415.3 11804980.21 2433112.513 9238745.099 5349932.63 9505799.832 1427593.991 2282225.81 15157872.29 10600676.41 10646806.6 12380209.99 10840089.65 12376613.27 18628258.46 8748774.302 11277733.96 13568417.87 26547989.06 26266202.18 1320762.215 11836197.75 3902629.6 5546331.751 2450430.409 1448181.651 9295414.654 5538594.084 6818154.554 9614619.267 7094009.46 10127838.32 10468645.43 8520004.473 2188449.868 14870196.36 9812459.169 14544409.71 10688120.33 (3R_4S_5R)-1-Dodecyl-5-(dodecyloxy)-3_4-piperidinediol 2.915 47723637.34 470.4582 59805383.03 37529228.09 17662776.47 39074568.72 112238769.3 46416828.97 118991536.7 25568700.52 58692492.24 17965665.33 189877031.8 52552161.87 92397327.05 39002843.86 159685568 145658459 12754567.49 50675169.74 46980423.34 54936246.39 7357036.275 18425858.36 126638387.4 111719313.6 22358038.12 39684745.73 122781385.9 100010498.6 124411343 44567089.04 27229958.92 19445259.27 119709424.2 165659877.5 16049083.04 21031337.27 16343603.89 32306441.62 35087011.77 17181925.8 65305712.68 18338231.42 46806992.79 45895018.93 75312889.38 90534360.83 73359286.91 50335358.49 5866471.799 78581132.99 62977082.67 146662630.4 88293998.69 (3R_8E)-3-Hydroxy-5_8-megastigmadien-7-one 1 1988143.46 209.154 2481202.51 3442692.929 3606572.598 6200956.449 3619029.612 858341.345 3709852.565 6401316.616 5527612.515 7306386.397 1648803.485 4040930.42 3882684.15 5341427.387 2264960.502 2278188.395 3375160.858 8305355.679 4487054.354 4408056.023 2240008.219 2439280.702 3444001.175 3249373.631 4126850.569 4127568.92 2670682.603 4098171.337 2760061.454 2227293.301 5170522.701 3097160.795 2460709.503 3808925.124 4380340.08 4596897.167 4261011.411 3887183.994 8331629.666 4438386.824 3581377.911 8078831.03 892326.995 3253669.245 2910128.539 11887711.87 6808187.58 4576803.375 7637083.576 1111030.315 6736701.803 1957352.485 5079486.321 3-Thioxo-2_3-dihydro[1_2_4]triazolo[3_4-f][1_2_4]triazine-6_8(5H_7H)-dione 9.55 5049852.96 186.0079 7421132.349 5819509.492 1495526.197 3906314.187 4869231.201 5458117.94 13432014.27 7666595.322 2679162.247 1612939.237 8569425.529 9051336.018 9724386.21 7539363.597 7823053.482 7211923.832 2356927.184 8866772.633 5370207.995 4641772.104 1368467.177 4050968.904 4168671.228 6013769.7 7517861.333 9386091.608 3929946.174 3558265.38 7888721.473 7946369.804 6746715.274 6412554.869 7760274.875 7483159.786 1246813.029 7988061.593 2449097.664 4227918.751 1817785.586 1414696.746 1573333.822 2381081.826 6775244.614 6322950.715 1786549.545 2462739.947 1848105.659 6051936.981 657196.0665 4400651.012 775877.8982 7803501.704 1157829.684 3-trifluoromethylpyridine 9.571 61445127.19 146.0229 94720625.29 67072730.91 30754296.16 51024305.34 60270381.61 67885794.95 26421.7962 54127.3928 35024582.12 20102870.12 136421307.7 34781.8617 34399.5248 46525.2637 116937180.7 102203186.3 33043503.18 43604.9933 50791836.87 59489286.67 23705516.78 43891447.48 56311442.18 89760128.82 45268.4353 32987.8446 51211821.34 44582573.22 101045365.1 117507889.2 37055.3422 49582.2936 99542495.02 107236675.7 17042664.87 40687.4034 31263457.87 51343676.79 27792472.72 18571128.02 18133330.01 31967213.47 89474890.02 84887278.71 20127094.09 21906793.09 18887912.05 78576386.47 98922.3992 50977.3087 18243501.95 34052.6583 17168527.91 4-{1-[(2S)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-1-{[11-(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)-11-oxoundecyl]amino}-1-oxo-2-hexanyl]-1H-1_2_3-triazol-4-yl}butanoic acid 1.698 27554594.43 736.4933 14759784.61 11042505.56 12605910.49 59144753.59 33668230.61 13097791.22 27058634.16 9454396.787 14244198.25 9524948.122 47102190.3 35129463.15 22215078.07 13738059.87 40521240.64 43243503.09 16357030.79 18526416.68 9803139.226 12508553.1 31489582.06 22506315.22 14582545.78 18476343.89 12480897.01 19921318.64 30103870.62 13641604.64 15129367.86 18425412.35 14191866.13 10618156.03 32919564.49 17677518.22 25656714.6 12809896.82 9540873.669 16811471.97 72296960.71 26020185.52 10111585.53 33418298.3 15681566.77 36996611.96 10843257.52 12688468.15 15022789.38 16813530.6 9445296.305 19647327.99 5748160.825 25391971.73 7070558.548 4-(2_2-Diethoxyethyl)-2_2_6-trimethylmorpholine 0.617 5754731.971 246.2069 7817236.77 5328705.299 2875023.648 4892447.738 23929365.79 6389467.713 15752509.45 6301566.93 15116497.82 7169431.432 5296423.321 9605202.338 12637706.09 8732613.86 4285390.199 4567000.252 3324080.404 10437852.91 7780547.64 9272287.917 2238938.212 5016236.1 11548006.88 12896142.55 1462961.542 2375045.701 10640234.84 10279196.61 3598471.087 2352132.408 6642604.782 5654070.154 3349211.157 3888645.979 5053275.086 6449576.225 5157978.545 9209454.907 8624187.444 5502369.793 15852606.79 6227544.156 7007976.131 7143076.956 15498002.97 17525203.49 5692817.215 7127273.342 1398718.578 7663100.394 5069509.946 10791021.21 4579772.258 4-(2-Amino-1-methyl-1H-imidazo[4_5-b]pyridin-6-yl)phenol 1.053 22189.9232 239.0941 17417.9336 22674.7264 25393.0785 19344.331 19030.6291 19733.2682 1591624.056 1650078.553 29875.7979 48860.1285 14604.0091 865685.6973 938194.8417 1057366.016 16165.532 16770.8629 22994.2036 857050.472 25685.6633 21290.979 29628.9789 20494.8903 17641.4415 15983.9376 633874.5541 551322.1375 16666.8472 17475.9273 19680.6867 17995.0001 570872.2296 693470.8493 17645.9083 17328.2504 27652.0162 596138.3952 28429.3706 20962.5281 22564.8714 24390.4983 22014.0433 24839.9438 819448.8011 18773.552 20883.3089 24529.8295 31525.5255 21055.8566 833667.6449 748672.8179 31905.1838 1120549.704 26988.7225 4-{2-Hydroxy-3-[(9Z_12Z)-9_12-octadecadienoyloxy]propoxy}-2-(trimethylammonio)butanoate 0.905 40001280.88 498.3803 9315417.634 7779754.361 21958068.93 41585085.48 15194508.68 11196878.74 13446303.21 6824072.03 7259619.348 4178506.336 14993074 8001723.504 14337702.64 9371664.685 9755220.357 12219653.36 11683902.4 14998049.87 10855378.08 13173035.15 7587885.897 12683257.27 19405791.86 22430790.32 6324321.315 7684696.306 19874486.09 18464719.14 18718238.22 12638531.36 8530730.13 7315402.669 19521901.92 23303971.68 4809149.295 6423745.13 5402798.275 18763824.05 5425765.233 4603854.966 3259015.597 7778615.35 15315955.25 15823667 3057987.546 12508534.48 10775355.26 15055533.85 2251168.225 15543198.34 12376399.88 29790951.43 15105659.17 4-{[(3β)-28-({2-[(2-Acetamidoethyl)carbamoyl]benzyl}amino)-28-oxolup-20(29)-en-3-yl]oxy}-2_2-dimethyl-4-oxobutanoic acid 1.649 18840496.98 802.5378 13459078.82 10503294.72 7950281.009 14834174.37 8398341.453 11302813.85 15635476.78 7766078.325 5808314.505 1906983.033 10624149.17 11605076.77 12928845.14 8665317.392 10882909.96 9073660.463 10426230.9 11831756.89 14488489.38 16810742.15 8106967.43 15923802.75 10696680.17 23077758.31 8503873.399 13264867.85 10047249.25 10250162.35 8029152.794 11160107.39 9988701.488 7108244.112 8455691.957 8587105.407 18771450.15 8958249.734 12354851.29 22273596.94 28463708.8 20843913.31 12171464.4 15677244.83 14916673.1 15403642.4 12285816.02 14579433.05 6527206.649 13370583.67 4710152.812 20228381 6547403.39 22915273.71 8355769.755 4-[4-Biphenylyl(1-piperazinyl)methyl]-N_N-dimethylaniline 0.623 22029512.49 372.2448 1738516.552 1230340.544 7090100.999 19922587.63 1262232.822 1182538.413 2760501.37 343125.8704 334110.5201 677514.0139 1497742.912 903126.4541 556675.5382 564376.0087 1330783.471 1215959.335 921946.6868 593682.8396 2955392.487 3773375.325 603129.7959 1862181.872 483850.151 6536103.935 268700.3892 636570.8176 210186.3515 460320.9952 1237086.381 853952.0257 235854.3127 332898.306 839800.4588 1306168.288 426508.1908 245450.7865 238019.0741 448174.2487 1184771.431 701213.4167 895306.3291 246140.3313 868073.5406 1055520.181 806572.3055 865362.924 1095432.65 461650.9752 582278.6409 2706007.28 830202.9268 3507987.173 1127452.431 4-[(4-Methoxybenzyl)oxy]-2-butanyl 2_3_4-tris-O-(4-azidobutanoyl)-6-O-[dimethyl(2-methyl-2-propanyl)silyl]hexopyranoside 18.269 5809241.466 818.3876 2472410.631 1172993.379 10355006.24 2178607.859 2970314.304 5805282.102 100124.6968 197749.8015 8174182.534 15702193.01 5117476.652 128015.6293 123080.7248 546508.0455 4307136.166 2197073.825 8004016.144 1839528.408 1341012.279 5558769.901 8685708.716 6047849.092 5290677.633 4966463.317 172549.3189 126176.4377 4725042.254 5769726.594 2676315.887 4592215.604 2044955.558 2571917.606 3281145.677 2942203.566 7625455.344 1346676.613 7238191.636 5204671.689 4855546.614 3811013.882 7041803.238 4235018.386 2205168.591 2453673.939 8014361.095 5384162.062 3495688.931 5186899.655 358468.5598 186801.1241 6385126.268 127018.5276 3806673.489 4_4′-[Oxybis(2_1-ethanediyloxy)]bis(1_2_5-oxadiazol-3-amine) 0.403 37667782.34 273.0952 40357717.21 41680248.16 35765858.06 38845075.04 39309344.21 37646139.82 32932162.09 87745941.89 37473817.02 27766128.09 30438835.89 39270025.29 17559941.62 42637523.25 33152300.2 33942898.03 46871955.56 47274416.85 35493558.67 37117331.01 44771970.47 14948721.27 36941756.27 33970007.29 51969491.11 46581359.18 38830836.92 48992290.26 22075623.25 39379970.13 38374591.85 39868874.5 34027150.93 35077507.18 57086573.91 41454090.17 44370610.85 47677733.59 11552165.12 59041721.83 64358278.6 47587998.82 57663942.98 50207852.5 57337846.88 39718388.6 89368790.78 31063175.94 20282703.9 37397467.1 34995876 36467822.75 33074237.47 4-(4-Pentylcyclohexyl)biphenyl 1.095 1960927.95 307.2429 2524381.927 1816293.977 1378595.393 1472619.996 1263784.887 1945469.845 3200305.228 2600414.408 1411946.022 791340.3305 3541871.315 3005086.435 3652781.788 2557256.686 3803937.112 2913838.581 1459861.979 1991613.896 423365.8028 827296.5078 1378085.81 1713961.627 4585508.528 887788.5896 3716329.866 3695225.214 4094962.371 3911232.94 3310053.819 4653195.655 3463140.283 3221807.715 2816945.196 3841466.683 1297408.693 2716868.547 1898557.254 2661177.744 739195.4944 1466632.77 3206060.938 1371276.022 4922393.163 4810381.186 3613105.141 4359218.601 1799650.315 5368375.874 724010.705 650007.9076 1765139.79 1065209.312 1899478.501 4-[5-(2-Furylmethylene)-4-oxo-2-thioxo-1_3-thiazolidin-3-yl]-N-(2_4_6-tribromophenyl)butanamide 0.614 15616.7401 604.7835 17889.5853 22769.0329 26111.6622 16252.8419 20079.5232 20872.8395 930280.007 2174728.864 29607.0186 54349.1184 14576.2808 689444.4835 1033983.106 2036449.63 15850.2137 16421.9402 22579.9442 869844.7165 25540.5041 21653.5905 31357.1222 20154.2936 18195.0158 16310.3292 521101.7061 498305.9365 17642.5372 18198.0907 20169.7564 17374.8436 612470.0475 1813675.805 18325.3544 17348.1185 27886.3518 1950717.471 27583.751 21518.3473 20155.7841 24943.1508 20884.2041 25499.3674 492857.4953 19646.4406 20967.9338 23893.6688 32729.0611 20500.2534 3970930.806 1246595.838 31699.1475 1927643.22 26889.6871 4_6-Diamino-5-nitro-2-thiolpyrimidine 1.468 1710653.677 186.0094 2619328.75 2594346.584 1471468.033 1685950.515 2035049.022 2574331.819 28982.8178 65612.4641 2178136.721 2418645.216 2750843.466 40427.8058 39367.376 53934.5503 2887592.01 2514867.266 1570904.663 47487.5329 2520333.361 2691341.204 1550921.769 1692546.103 2100641.743 2755839.198 53060.2329 38460.4494 2140813.233 2015427.223 3463540.7 3289343.035 42225.4957 59605.7304 2562734.477 2841237.405 1404384.741 48659.9787 1006114.637 1402773.551 1605247.873 1490476.437 1271363.464 1311347.605 44139.8795 1780212.524 1226329.833 1072278.543 1689975.783 2029508.434 111553.8136 58547.7343 1667170.077 41096.5965 1567725.352 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol 2.255 57425167.69 429.374 7777303.848 4219129.084 18818817.98 44332426.21 21579711.76 6323789.112 43454976.64 8291175.927 6922530.634 2268363.302 19213004.31 11412637.95 26019225.63 13664172.71 14200546.92 16723483.48 9526865.124 15578890.85 20585602.79 29076372.6 6495958.268 12758201.7 8440025.02 62158435.38 5566373.461 8993966.169 11287623.64 7965285.154 27286814.08 15327896.77 6440226.337 5311620.717 26282088.58 40307473.54 5749828.195 6593131.969 11667520.41 22557247.38 1646499.899 6908383.064 22236769.91 17943344.43 10331962.1 11785322.3 20599104.41 30406364.1 24319834.83 15556001.56 3168347.931 41559708.95 16847701.14 71070299.07 38713850.19 4-carboxyl-3-hydroxy-5-mercapto-iso-thiazol 7.946 36895.4585 174.9521 42850.5592 58141.1501 62577.3345 48067.4115 47822.3148 50089.2373 349758.133 98100.9214 74608.4746 118818.2085 35701.7193 130351.7048 293763.0982 122618.3526 38814.6375 41746.2613 57338.9024 164034.5658 61977.5087 54914.6233 72729.3728 49435.73 44180.9869 39001.5731 76547.3277 117233.2734 42232.4582 47251.8173 48172.0049 47504.9209 71728.0701 86974.7473 45078.4667 43781.2054 71406.6125 67662.7437 67962.3511 54305.5981 48449.6721 62216.939 52593.4832 62759.1881 110534.9368 48099.6173 50720.5548 57722.7498 77641.9909 49619.3063 161011.6778 85767.0641 81040.6306 129635.0043 64774.7083 4-Chloro-L-phenylalanine 4-Chlorophenylalanine 1.098 657659905.9 200.0477 993635916.8 806572171.5 390369687.4 612843238.3 893192403.1 894442140.6 820861775.9 321895486.7 498824402.7 198213733 665382705.8 526773448.9 1002753688 625424889.7 576423250.6 559511285.8 782768506.1 784995936.2 1026181911 1178632288 532861501.9 991970306.5 1061978735 1367027668 592104686.1 857679848.5 931559983.4 945527009.7 650335469.5 740361582.4 988274747.9 776744364.6 672579741.4 741417325.3 635790725.9 917547568.6 740928551.5 1062669092 962468316.9 761387979.5 1487217658 862045847.6 605647103.6 581270799.1 1534507675 1579478733 774929570.3 559007163 151033862.2 951542462.8 698740440.7 1290307365 871082287 4-Chlorothioanisole 1.838 66637.7995 156.9888 80170.6138 103813.8918 114171.9282 85814.6296 90126.43 92230.9227 350395.1831 1814505.205 138364.3274 240253.6679 70752.8717 1109125.366 784854.4149 1759864.64 70823.5323 75970.5207 103338.664 1542787.248 112846.2806 100158.9851 135310.8785 92073.2427 81232.4277 71833.0541 1425111.81 939781.7989 77329.0859 86740.2548 88476.2105 86332.1491 1126599.855 1782900.394 81940.2237 76721.7154 126120.9264 1356701.138 123224.5703 97177.9817 94668.4149 114182.9999 97582.7793 115182.7735 1249416.315 89151.5753 92942.813 107048.5057 144742.7501 91185.8799 5148983.387 1883202.317 144418.439 956331.7737 124380.5289 4-Fluoro-1H-pyrrole-2-carboxylic acid 9.571 5068572.614 128.0151 7442650.574 5514995.409 3266146.202 3984406.522 4807196.135 5400656.256 26331.0336 53941.4575 3540719.585 5688209.596 11450131 34662.381 34281.3575 46365.4428 9276282.986 8112769.918 3479386.427 43455.2039 4110181.516 4894395.192 2667927.055 3759865.363 4567385.744 6848212.478 45112.9317 32874.5267 4035228.866 3653046.657 8179195.31 9498800.726 36928.0518 49411.9713 7540388.947 8642183.741 3141534.688 40547.6363 3176192.549 4251515.546 2550698.795 2029463.109 2235961.615 3380144.628 6873981.445 6760944.01 2390694.92 2513135.116 3857819.789 6411961.128 98582.5866 50802.1943 3853095.234 33935.6826 3303205.879 4-Fluoro-N-(4-methoxybenzyl)benzamide 2.478 6831653.548 260.1069 657081.7974 806363.7311 1964435.897 4907998.217 1760745.309 702119.7055 32769977.99 9485655.454 1007333.889 2142505.175 1850217.135 16992303.84 29816035.7 20585958.44 1662188.98 1172184.311 781019.3132 26485044.32 10009957.29 11937838.58 810008.093 864433.5897 684866.2089 22775786.24 2969203.43 4715418.3 621804.2878 683245.4425 1822266.244 4504345.082 5829584.437 2896292.604 1905191.467 3008445.047 845397.3991 5657296.748 789764.7299 1041887.921 536819.9978 896319.8277 571704.8065 898886.7577 3240156.815 3432952.055 614703.2047 496617.787 2397826.586 3038804.561 6584932.093 53552943.96 2359722.837 82942119.32 1846017.406 4-guanidinobutanal 4-Guanidinobutanal 0.699 683500.1603 130.0978 1285568.191 850916.4883 635814.3445 592966.3081 638676.8115 996060.6768 28220465.83 11090773.99 961425.6009 1949592.362 8922997.513 16528392.61 16349819.12 7928099.418 7755123.938 7132522.893 605352.698 12021705.84 614714.1826 673600.5141 977844.0315 622723.3513 814104.0646 716639.3045 6767281.163 14475230.48 604825.431 634552.1917 5302273.231 15345638.48 7014881.246 3505286.199 3032854.591 4626079.871 1227306.142 6284976.267 836784.0542 715104.8008 717481.4112 756328.5916 798384.6017 708285.4375 1876219.717 1294209.346 790295.1947 778615.5342 1166101.821 1700238.17 1703344.143 3004331.482 1552184.688 4490978.846 885600.6745 4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 1.407 10106803.76 123.0443 13745338.71 10721609.1 6252352.437 10215066.18 7720838.268 11063860.94 20325510.14 8557403.479 4570278.06 2107757.759 5090709.227 12124852.8 15637321.49 9600700.329 3689473.248 3307973.704 6204710.977 12553953.06 6755995.382 11640637.36 4811035.488 9202817.018 5373547.732 11495185.61 9487877.831 11511717.15 5144509.105 4696794.193 5615479.183 8561922.571 829172.0121 970287.5552 5080824.104 5004293.387 3220515.509 6750880.261 1919312.895 2327122.318 5627281.348 3727997.83 1227050.351 496731.2066 2747232.316 717966.6541 692876.0719 524518.4317 381556.6283 2170520.615 3432399.106 1621291.628 1434925.027 3042474.305 449422.7615 4-hydroxyphenyl-l-azoformamide 1.136 13567.7124 164.0473 15886.9475 21107.2977 22663.8816 16794.4511 18784.5172 18621.8504 1278222.193 329924.5344 26695.4441 45024.1126 13249.5748 454719.5541 803593.1194 359954.0783 14623.7646 15009.5326 20573.0423 498661.9189 22739.6791 19631.8475 27171.128 18200.2099 16562.4344 17462.3231 374983.0172 613058.0105 15235.871 16939.504 17029.1736 16198.9171 600333.9636 325785.9017 16511.3556 16393.2182 26156.9864 506379.2769 25436.8115 19337.9386 18072.6397 22825.0426 19796.7251 23031.3235 279291.4049 17176.216 18952.8016 22190.3278 29159.4018 18700.1757 95780.4069 286271.0222 28685.9334 758890.9501 25715.8944 4-Iodobenzoyl chloride 0.665 617827.0221 264.8936 9808404.408 9173107.856 7335147.172 8164587.277 9645272.779 8983557.143 122145.959 53688.767 8082406.725 5858066.039 8014778.448 35351.1319 32301.9522 43446.5405 8350576.525 8033197.63 10277868.88 40358.29 8561713.229 8866909.487 9569693.192 11270817.81 10041148.11 9513534.017 42729.0203 31501.5651 9663352.544 10024631.03 10480290.76 9544662.246 35811.7217 48134.3938 9757795.378 10024555.32 11910231.91 40134.6729 9863095.189 11120247.83 12202574.47 12108806.76 9979672.793 9955786.945 35718.3931 10936599.29 10200246.34 10284182.71 7654922.066 10560142.58 926671.4859 59749.7332 8092882.321 33950.4439 7940255.249 4-Isothiocyanatobenzonitrile 6.079 3603576.415 159.0029 383899.3968 322144.9972 2053875.416 3512120.702 3170821.123 406910.2065 81667.0402 186419.9235 2066490.931 1175967.821 2184110.686 115979.5521 110952.7659 154788.4355 2116686.33 1927127.249 1270936.766 138050.4517 764098.1047 952141.5465 872326.755 1741949.774 2507295.926 1385355.64 149350.6465 110668.4263 2578403.678 2510905.721 2756420.063 165112.0223 121260.8507 170407.7234 2793746.877 3323007.277 422920.7826 140396.7587 887150.0879 1296518.347 527806.9117 406138.914 819256.0411 985148.6381 122767.6847 1264201.408 825882.9452 519039.4265 581845.9553 1387912.647 325292.7086 168938.6591 515746.6665 116367.6411 674001.9109 4-Keto-gamma-carotene/ Keto-gamma-carotene 1.114 213836635.7 551.4265 83286795.35 63886890.57 92492447.09 201884941.7 84038384.28 52672060.12 321798421.4 276139807 214931577 135453413.8 89067745.06 270012958.5 140173119.1 154140651.3 165865482.2 62131257.28 35182541.37 288582136 200543191.1 121577633.7 33001395.14 100253929.4 78022143.04 231276917.3 99231254.2 70015672.31 63138103.19 131505647.2 64123798.53 193136609.9 94738347.23 138719104.4 91684364.5 119785207.1 18625623.7 97632965.89 73583814.19 105246560.4 7841268.907 7715174.991 85329428.97 180428312.5 221678644.6 243628632 180502804 108425691.3 287909191.7 233154633.4 141090035 176581634.3 242226784.8 453165684.9 109165162.4 4-ketozeinoxanthin 1.057 33222524.92 567.4213 23393280.08 22237171.78 15841517.47 30720778.31 29727201.81 26246678.64 46265255.09 24348016.9 37893033.3 27485519.03 30969352.99 24874744.97 37854275.67 38097743.88 42424089.06 42535041.77 17699938.75 28310965.89 18523509.16 22807224.23 13735323.59 19271053.18 33787048.8 33132561.17 25818778.05 46859989.39 36102076.92 26362586.78 29593553.29 34439222.32 29671393.91 28783195.29 39385655.07 55227585.86 7432159.348 24737454.85 17983981.23 24035684.89 6842468.615 5842385.336 27795905.86 21539858.94 45398241.44 52839090.17 32215813.62 29368289.04 22784820.11 53628146.12 20683655.73 51321595.76 36484833.75 83195630.46 29909455.94 4-Methyl-2-(phenylsulfanyl)-1_3_2-dioxaphosphinane 2-oxide 1.324 635965.476 243.0246 368562.1883 289890.9765 409111.1289 591075.274 508760.4148 305265.5664 15752.2743 34039.5073 219994.5098 113365.6848 510261.8466 22140.0683 21528.7996 28650.6512 630055.5225 589185.6356 284940.2103 26792.2067 291422.4346 269043.9478 319995.2151 521729.4782 169819.6927 250756.9022 27954.3803 21275.1539 223999.3059 124034.0921 89831.1895 936687.0378 23175.8466 31858.5872 559875.6082 564821.4546 157831.9252 26653.1686 59149.74 98094.4011 448143.0461 383259.1006 39917.9099 47435.5097 23651.7763 420295.9829 85221.2207 45626.5295 132097.3868 398930.8418 60459.4958 31691.1633 191788.9587 22706.436 203964.3218 4-methyl-5-[(3-pyrazin-2-yl-1_2_4-oxadiazol-5-yl)methyl]-4H-1_2_4-triazole-3-thiol 12.587 39276.4036 274.053 47347.871 60516.1143 66697.4147 50375.7005 51643.1379 55292.1822 2119852.486 350685.8498 81621.4948 130794.1768 38443.1651 853586.8688 1255278.183 668221.0781 42700.813 43391.5326 63823.7814 901886.9168 64970.6878 56066.7417 80197.9534 53303.3262 46634.9771 44299.7011 378112.9649 447734.9805 44917.2942 47726.9492 52220.0275 47362.799 454568.77 373985.7075 48180.5296 45878.79 74057.7219 360118.5097 74007.0422 58533.4697 52042.2961 65503.7595 55425.915 67735.2821 65223.8346 52336.2979 54056.1786 63795.1382 85779.9866 55917.279 181609.2323 516431.9875 86504.878 1085258.73 74079.3237 ({4-Methyl-6-[2-(1H-pyrazol-3-ylamino)-1H-benzimidazol-1-yl]-1_3_5-triazin-2-yl}amino)acetonitrile 0.7 6169726.215 347.1479 9150794.423 8072205.41 4935035.572 8177418.413 5597842.68 7166949.684 8269257.22 7023288.547 6889173.038 5679150.61 6154846.319 7914899.435 6931153.294 8497888.67 5468830.621 6624334.66 9712553.782 9656462.223 8125682.304 7582389.49 8279099.384 9283466.776 8722693.955 7780140.809 10138510.17 8945481.384 6714796.172 7814008.5 6167428.873 9552210.478 8959169.107 6190905.799 8169523.367 8706199.466 10293795.82 6498366.071 9460693.721 11049921.8 13065419.02 12946070.86 6970941.422 8141083.762 11708234.09 10471177.72 8380265.601 8760780.786 6325682.753 8958280.809 3137159.045 7733384.721 6376727.729 7622321.831 6898642.104 4-Methyl-7-{8-(4-morpholinyl)-2-[(E)-2-(2-quinolinyl)vinyl]imidazo[1_2-a]pyrazin-5-yl}-2H-1_2_4-benzothiadiazin-3(4H)-one 1_1-dioxide 1.058 21640.9265 566.163 17127.3954 22113.7353 24764.8331 18865.7365 18936.0936 19245.0511 18394.1228 36725.861 29136.6464 47651.2893 14242.694 23755.0671 22274.1126 31009.4613 15765.5836 16355.9382 58753.642 27493.7545 25050.1792 20764.2229 40374.3634 59237.6099 16768.5976 15588.4821 31685.1702 22672.0105 16254.4958 18262.1352 19193.7705 17549.7892 24499.5603 33672.3586 17209.3342 16899.5354 441092.9903 27946.9096 27726.0049 20443.8981 587212.2008 464779.5474 21469.398 24225.3834 25207.1361 18309.079 20366.6389 23922.9416 30745.5584 20534.9176 63812.9438 33850.6064 31115.8237 23387.4728 26320.9996 4-Nitrophthalonitrile 9.578 76716.9055 172.0153 165088.7732 79566.2756 35826.3983 60914.2089 48094.5031 91558.3441 25312.1445 51854.1727 42426.1816 68448.2942 303082.5159 33321.1073 32954.8277 44571.3147 239967.4146 182856.8835 32803.2762 41773.6887 35966.9016 48344.4122 41450.6118 42334.5554 51278.541 151529.6863 43367.2701 31602.4347 35908.7849 38576.6359 165082.8663 236990.5185 35499.1071 47499.9567 168830.0873 200004.7997 38548.8595 38978.6305 38074.0187 35923.3868 26774.8702 35205.5197 29517.0988 35557.7756 124019.3899 108355.3465 28751.4349 29244.3543 44698.8406 125454.1342 94767.8968 48836.3846 44811.008 32622.5287 38335.7767 4-(N_N-Dimethylsulfamoyl)-7-hydrazino-benzofurazan 1.408 163885.6983 256.0518 297935.2422 194769.0668 114595.1828 198310.8288 143276.5541 209978.5127 25529.5229 58068.3842 45633.5149 74389.927 604209.7621 35898.4664 35242.7486 48283.6804 541375.5904 534613.43 119487.6284 43421.8095 120039.0855 178915.7105 45014.3079 188131.0158 93899.8853 223415.3677 47500.9676 34480.3879 95630.4087 43898.0979 160248.7595 1198614.295 37801.4153 51410.5222 400177.6986 464749.3594 42109.8961 42904.2131 41687.9318 62606.1877 113781.5815 71523.3709 32489.5349 42153.5403 39515.2239 450775.4531 31172.2519 34917.1344 47236.5245 446251.3459 97813.7997 51325.104 47498.135 36790.794 96472.1766 4-Oxo-4-(phosphonooxy)butanoyl phosphate 7.906 45052.1222 274.936 52524.8913 70869.2381 76276.5789 58590.1867 58291.4341 61054.6245 2137001.667 877910.521 90941.5405 149430.9389 43878.7951 1501419.267 2276152.938 1137509.681 49561.2992 50885.229 70899.6337 1531862.15 75545.441 66936.3696 88651.0713 62099.7102 53852.9574 47539.6818 803545.3411 1091277.449 51477.8626 57596.0449 59640.0745 57904.5572 990060.6576 774719.1308 54946.9108 53365.657 87038.7362 876869.7544 82840.4673 66194.0185 59056.1306 75837.2867 64107.0926 76848.1645 1310569.747 58629.4428 62220.803 70359.2429 94728.409 60793.8001 199343.2643 616515.3333 98781.8049 1177985.516 84001.2581 5-[(3aS_4S_6aR)-1-Nitroso-2-oxohexahydro-1H-thieno[3_4-d]imidazol-4-yl]pentanoic acid 2.417 4146466.135 274.0862 461748.4709 773892.991 965484.8767 3184198.254 494158.688 661548.6251 22061760.79 4697215.333 966770.4609 2056230.55 1045341.043 10153434.63 19463339.9 11382372.92 520123.3867 970328.998 749569.1448 13889770 6500110.52 7992538.332 777390.6013 594551.2353 657287.9439 14775511.76 1145424.868 2458728.388 596765.4069 655732.4426 683395.7648 2323170.626 3457289.071 2656391.493 1089065.677 1424454.768 904298.8895 3723319.694 599331.0839 543981.8598 513112.0453 860226.726 548683.3368 616328.9082 2327748.354 1459634.605 475604.7734 512717.3689 1009138.536 1656973.158 2151504.623 33778123.33 925616.1819 54479781.26 1084713.83 5_5′-(1_2-Hydrazinediyl)bis(1-methyl-1H-tetrazole) 0.796 1309699.204 197.1013 3959376.241 2401705.676 734442.6797 1405096.991 1717157.064 2785327.259 51146987.27 35044826.84 768094.474 1554531.093 18625254.58 43221512.5 42510609.66 31343565.36 20420515.34 21672368.7 630646.8882 37040234.36 595960.1379 590041.2379 885355.4825 515809.9812 751821.1385 1110475.19 27428952.89 32485975.76 534751.877 642151.6323 9482749.362 30276182.15 19112073.95 21707201.29 9036516.602 10545853.09 867350.8758 17495691.5 757637.5436 696866.9728 535412.8531 796583.0292 816648.5459 822510.7814 5870700.222 4639229.662 715545.7935 551330.478 1028132.546 4837274.763 1863943.624 8203486.322 976048.977 12221588.66 801836.8853 5_6alpha-epoxy-petrosterol 1.479 7424834.873 429.374 31081155.65 21368171.61 5233893.433 8280213.911 5891328.085 25375340.57 6500987.081 8291175.927 3184861.004 1393622.688 10290647.7 5630185.43 6422046.745 4495849.284 10120001.21 10293752.47 49271887.81 5674922.678 11735306.5 16650150.06 33727747.43 57499617.79 51750497.53 23323164.26 10072381.25 16952714.62 48631769.29 47723567.48 8316285.612 14388201 7390644.42 3178126.171 6026478.796 12566701.1 51902601.98 4848611.785 21744637.91 27735747.74 96680250.6 65080465.96 34361480.08 19360842.2 13551497.51 14356883.47 38821738.6 43122168.88 11904409.99 15502038.18 1294966.655 3113791.193 11016569.33 3702727.705 12402625.03 5_7-Dibromo-2-(2_4-dichlorophenyl)-1H-benzimidazole 0.666 2793365.578 416.8189 3049448.052 2617963.974 1975062.548 2577735.002 2784277.754 2654379.816 23695.7032 51527.8065 2098827.137 895704.3012 2457302.648 33928.257 31001.8061 41697.8272 2589389.26 2420090.948 3102205.581 38733.8781 2445389.359 2680777.01 2631112.855 3561536.332 3234905.371 3051052.463 40653.9817 30233.6343 3093994.303 3107065.636 3251000.852 2967410.587 34370.3081 46196.9955 2950980.629 3128681.888 3314054.454 38519.2616 2733042.635 3366576.052 3690108.825 3510383.019 2890808.797 2959287.698 34280.736 3459991.944 3128270.851 3123099.613 1863680.682 3048293.754 90653.2576 47599.3008 1866644.763 32583.9464 1977247.107 [5-(8-Hydroxy-7_8-dihydroimidazo[4_5-d][1_3]diazepin-3(4H)-yl)pentyl]phosphonic acid 0.701 5907254.554 303.1214 8052411.322 6069723.519 4949547.541 8046430.273 7137642.373 5565963.287 8357988.429 7311936.123 7618552.074 3593063.906 4775066.62 6247913.499 7782367.028 8467962.52 7160429.142 5416647.189 8700452.709 8658981.203 6076959.919 6037846.858 8416932.235 9331543.874 7346362.091 7137180.646 8059742.706 9442132.935 4412823.153 6129585.451 5897683.785 8066197.56 8099988.717 8124478.796 6678104.97 7905483.574 8846030.573 5129803.178 6887405.523 7378997.771 11925119.56 12640990.18 7501495.978 9585120.077 10462413.18 9341071.395 7506857.708 7987073.95 6194347.284 8299699.446 2028554.962 4867388.722 5044956.605 4353578.794 7436519.08 5-Acetyl-2_6-dioxo-1_2_3_6-tetrahydro-4-pyrimidinolate 9.998 80587.6917 168.0182 93338.2458 119252.3774 135488.5282 99831.7782 107686.2629 111511.7824 5542483.095 1327753.489 162089.6328 261160.4304 77350.1177 2078902.702 3108534.337 1527850.817 84520.6031 86535.089 126697.6739 1935019.844 130134.014 112560.9176 163039.4901 107373.836 95412.5847 84502.0188 1319618.349 2161615.302 91834.0541 102467.9996 102582.2271 96324.2138 1532729.595 1117563.254 94774.2791 93840.1505 149406.7855 1351075.23 143655.124 114940.5336 103990.9281 128570.7264 113223.0037 135060.2554 123184.9532 103816.266 112209.2677 123795.9882 172161.5238 111675.6907 356159.7845 181288.9968 172861.7342 130141.8799 141484.5613 {[(5-Amino-1_3_4-thiadiazol-2-yl)methyl]sulfonyl}acetic acid 10.429 63848.2888 235.9806 77742.169 101582.1379 112983.7816 81774.838 87753.9845 91169.1831 2078148.713 4030656.583 131211.3553 215844.3856 63385.6687 2326631.157 2141185.88 3205274.128 69879.3804 72431.0074 102672.0978 2943566.243 109996.6113 90033.4668 131542.0395 88591.3488 77807.2015 70382.405 3329615.482 2515150.277 75952.6167 84386.6295 85559.8744 77941.4091 2613354.575 3437885.839 78789.2985 75951.8046 125716.3199 3094554.073 118189.6791 94403.541 85100.5452 109264.9798 94404.2456 113790.859 103075.8918 84781.397 88923.3889 103110.6654 143394.7055 88471.6508 7512400.019 3679332.04 145489.2887 2520172.758 117971.4201 5-Amino-N-carbamoyl-1_2_4-triazolidine-3-carboxamide 0.802 60565.7599 173.0788 70425.3099 98700.9655 101267.7841 75967.8305 77873.588 87173.8635 24187883.88 8215662.974 116710.6655 210667.323 58171.8609 14420554.87 12179748.14 8049995.099 62675.0224 65871.303 90414.6539 10310949.19 99052.6852 87592.3463 119915.9704 80016.5201 71560.5461 75467.6201 7369149.616 4721040.343 68422.3255 76761.9947 78223.5355 66844.3496 6283583.726 4484943.159 70953.22 67280.4934 111749.0184 5720997.964 109996.1802 83583.0848 78169.3475 99702.3487 85998.4947 98893.1463 362984.0218 128250.1332 81611.5492 92784.2115 127536.1394 79146.691 265582.5453 2203182.115 127380.5523 3443681.277 108680.2528 5-(Carbamoylamino)-1_2_3-triazolidine-4-carboxamide 0.806 51127.9671 173.0796 59451.131 76190.2233 85487.5088 64129.9762 65667.758 73589.8044 24310846.87 864117.6395 98254.4846 177839.6238 49107.1027 14425143.2 12179748.14 8049995.099 52908.5492 54895.5636 76325.5915 10310949.19 83617.5826 73943.0762 101229.8005 67547.7698 60409.4665 63707.7121 7369149.616 11724300.04 57760.2661 64800.388 64110.5637 56428.1817 6283583.726 4453333.106 59896.7784 56785.1138 94335.4817 5730224.729 92855.7834 70558.5667 65327.5523 84166.0108 71354.722 82958.9699 1730576.348 64600.2519 68894.25 78325.9076 107662.5398 64343.1542 224197.5608 1440281.629 107531.1974 3314235.076 91744.9132 5′-Chloro-3-nitro-1′H-1_3′-bi-1_2_4-triazole 9.565 518233.4941 213.9876 746017.5313 553286.0227 271802.7867 444235.62 480737.1823 525957.9574 39784.6522 81502.3884 260343.402 116149.1939 768626.8345 53077.2933 51797.1269 70055.4731 754282.3118 566937.0413 358136.975 65658.2724 449361.3917 487088.891 174210.3175 378696.1978 506423.6596 593934.4996 70080.9127 49671.4877 429751.0058 399840.5374 722183.0804 692486.3837 55796.1272 76171.6157 610905.7254 689205.2411 111636.0133 61265.1077 277097.5365 477820.8692 244230.3252 122381.8933 153351.254 280598.9723 757111.6771 694150.1118 153928.8058 178265.4022 117714.4316 626313.6567 149684.7387 76759.1453 81327.2219 52510.1816 99597.7912 5-Chloro-3-nitro-2-(4-pyridinylsulfanyl)pyridine 1.104 2170852.332 265.979 3297185.387 2923480.691 1685540.286 2156113.244 3013191.113 3082910.301 16943.8337 36772.1782 1867050.53 818951.5779 1948647.463 23049.244 21637.4724 30252.3975 1939306.041 1868745.076 2653325.629 26764.9227 3999367.519 4339901.352 1507984.8 3151765.397 3259709.993 3523535.091 30901.4816 21218.8409 3120051.205 3352041.841 2431777.552 2621778.304 24116.2229 32839.5196 2209102.34 2578366.352 1952315.095 27255.6817 3084603.924 3928892.644 2492347.4 2138960.354 5427942.573 3032931.81 24583.6726 2224088.37 5006985.338 4991961.272 2978581.503 1878166.766 62309.3455 33013.3587 2518518.454 22809.0161 3425810.592 5-Fluoro[1_3]thiazolo[5_4-b]pyridin-2-amine 9.547 29555.9973 168.0031 34552.1447 44958.0086 50140.2037 36034.2077 38761.9844 41297.1168 9516001.36 7297299.94 63947.6106 98339.1809 28380.0419 8893976.832 9997367.489 7628158.951 32137.1633 32147.3034 46726.1055 8818553.764 48949.7835 40549.9973 58011.4724 39992.8662 35322.9522 31679.2178 7735358.927 9169441.255 33644.0463 36915.789 37901.0557 35426.4582 7277447.397 6307831.461 35445.1931 33562.0151 53950.3763 7744194.903 53285.8212 42139.525 38299.4202 49271.264 41310.1348 49764.2575 55011.6145 37393.5784 40238.5635 46063.7772 62557.4738 38193.2067 2734279.774 4988373.318 63193.9733 7346615.769 53652.16 5H-Bisthieno[3_2-b:2′_3′-d]pyran-5-one 7.893 46490.5494 206.9583 54201.9095 73131.9558 78711.9426 60460.858 60152.5668 63003.9806 6135540.971 2439424.982 93845.128 154201.9798 47362.5677 3819422.82 5745790.364 3431259.166 51143.6956 52509.8959 73163.3219 4408828.371 77957.4608 69073.5185 91481.5286 64082.4339 55572.3782 49057.5319 2256077.14 3082569.255 53121.4512 59943.0413 61544.2668 59753.3377 2827684.086 2340818.176 56701.2594 55069.5192 89817.7147 2634937.601 85485.4032 68307.4654 60941.6786 78258.6246 67177.0958 79301.7777 3320149.314 60501.3675 64207.3929 63602.6326 97752.9039 62734.8286 218144.5116 1975973.24 101935.7169 2970554.99 86683.2558 5-Hydroxy[1_2_3]triazolo[5_1-b][1_3_4]thiadiazole-3-carboxylic acid 7.963 3653143.413 184.9777 1314337.225 879930.0982 1584300.368 3425731.945 2145544.408 1016074.501 55799.9981 128132.3125 1325223.377 376958.9123 3589860.002 77210.8061 75663.8251 102824.075 3106069.918 3199870.74 1303997.654 95329.6537 1112178.061 1568940.414 954884.6194 1980952.971 1690064.236 2674094.975 99980.5709 73519.687 1617552.686 1505526.782 3040753.246 2147754.179 81807.948 113600.1105 2902064.245 3571205.611 1035468.197 92455.3372 761308.7578 1333454.33 1505280.746 1170704.292 974894.6902 1003047.204 84103.6997 2291753.808 1076378.626 1284846.99 732652.5065 2206675.477 210301.7825 112022.7222 602827.5789 78448.024 798847.7771 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate 1.13 590530.4156 271.0279 549397.3851 507838.7623 534868.7907 604215.7889 74918.904 271087.0224 10077.489 21870.5654 214947.6541 39681.0874 170779.6851 13708.7336 12808.4788 17992.8704 47321.7793 34594.6391 809369.3104 14941.4788 543207.6927 272730.7864 380688.4818 774108.7831 68510.379 356758.9824 17307.4705 12297.9749 127246.703 48715.4647 54546.8745 325128.1453 14343.3284 18874.4376 67105.5391 137919.9493 686446.7805 16210.5482 351702.0112 296170.0806 616338.1045 633864.4694 26238.125 274123.2422 14621.3481 20513.8002 14120.7946 45410.4156 43213.8709 23478.5803 37059.0125 19634.9755 30400.3216 13565.8561 33328.9122 5-Methoxytryptophol 5-Methoxytryptophol 0.949 76415789.98 192.1023 11185152.04 7794505.229 36793056.04 72751296.75 50809440.81 9590603.348 112331376.3 44475468.23 28825204.55 11275774.21 35241289.36 65324901.96 105065797.2 66376555.53 32030226.7 29802239.97 58411440.82 79850738.84 52113963.12 66845876.74 41995244.78 82179541.75 75818820.67 91370832.94 26120638.06 39728710.5 73732089.3 69469788.3 71258981.23 33866312.96 46942146.86 34677678.05 69029252.49 80146475.49 46709897.12 34356898.5 48199508.01 74825110.72 84166303.11 61016625.66 65052666.84 54618211.71 67482172.95 65516604.65 77496735.78 78696131.3 22507278.74 61654271.29 8006107.183 56064134.68 26837045.8 95011785.89 29323651.29 (5-Methyl-2-furyl)phosphonic acid 6.046 7746933.062 161.0009 1146896.704 1178503.869 4335815.326 6821245.022 6330602.34 963830.8796 96795.2716 220164.8128 4185332.19 3031829.593 4634840.008 138381.5048 131036.9325 182807.5362 4205096.908 4116561.117 2772748.765 163039.7185 1976981.7 2186302.924 2235910.512 3714645.9 5233165.069 3255403.163 176385.4233 130701.1231 5133776.608 5201386.324 5910063.434 639284.7478 143210.9401 201254.1568 5778305.033 6337733.7 1340629.051 165810.7434 2053492.079 2740872.533 1420095.747 1396603.628 1774797.168 2266755.43 144990.5343 2681999.494 1989342.389 2226456.103 1803325.711 2895194.887 384175.7197 199519.1692 1343804.315 137431.9838 1700589.432 5-Methyl-3H-1_2-dithiol-3-one 7.598 10433699.07 130.9625 10031821.71 9851781.704 10911670.38 7782665.715 10790201.64 9633908.346 85486.7248 193240.158 13188413.4 16116964.67 5755427.46 120085.5062 140758.0016 162155.0927 10517374.71 8824985.865 12186981.16 143651.4389 10032621.73 9273651.012 13306187.36 9062189.669 10714394.67 7261726.544 156144.4052 113083.6376 10032050.14 7926427.566 9593573.484 11031558.03 121534.6025 173319.0621 8572451.11 6513443.685 13145241.9 138856.615 12803089.61 12283205.89 21254229.66 10799800.05 11800639.37 9992260.272 127293.4744 9314936.907 11043807.84 8974146.186 12430919.36 7070125.71 325513.4526 170742.1076 13839324.03 119088.3449 9929801.22 (5-Nitro-2_6-dioxohexahydro-4-pyrimidinyl)acetic acid 3.09 350952.7173 218.0404 274529.4861 498596.4194 581604.04 322424.6716 1401221.646 348686.7076 9600961.637 2651899.955 666306.9186 869027.6475 4161062.234 5363715.058 8440147.977 3677272.072 3673311.358 3007831.896 544023.1047 4852328.772 1288324.628 1440596.323 606698.1584 311533.1812 309876.912 2565437.035 3193209.463 5386878.199 379746.4216 324535.3804 8696641.542 3718908.842 3161168.407 2395481.905 7708698.265 9665599.035 449951.4129 3145775.002 485234.1348 481596.2211 369974.4165 493726.9473 528469.1377 769399.6482 4075468.672 3822136.145 493355.417 386368.6243 960977.8061 3743132.669 1178045.003 12940910.37 649062.799 22904914.8 872585.9516 5-Pyridyl 16.546 123535.1715 79.042 1076950.104 1511105.852 451124.339 108088.602 152927.577 86520.9935 147309.3798 1515653.269 1740955.135 663057.1812 1269218.104 160141.8659 188116.8078 2262399.613 923678.7972 56155.3814 218139.4733 1669793.336 210179.969 1479593.431 1783538.058 85224.5918 1164738.514 92102.0081 1521539.247 1256663.686 1127751.099 99081.5744 114147.054 636832.7018 205879.7618 276872.7684 970296.3927 448307.2805 2091952.687 212483.0674 240882.8639 1318915.142 168037.3252 93880.085 1353179.634 723240.782 1626711.193 1066256.106 220157.5787 113898.9458 1739399.496 628384.5114 512543.619 355838.6596 607416.8968 185362.1136 101249.8746 5-(Sulfanylmethyl)-1_3_4-oxadiazolidin-2-one 15.216 77932.0805 135.0223 90833.8626 202426.2845 135112.047 106638.7682 63116.281 152874.453 97872.2261 163285.656 449598.4132 142011.1367 119514.77 200958.9207 117680.6014 254836.5302 46376.8975 69955.2346 155476.266 170670.2469 372098.619 185943.8271 129632.9302 234265.3575 52513.2134 105882.9862 201416.9304 173427.4994 71627.0119 101340.543 71563.6846 50491.4694 69750.1082 1032488.757 140015.8333 48392.9532 219064.9704 131634.5915 170795.9953 122412.5649 107761.3829 235813.627 461429.4748 175376.7562 115026.1786 147922.6571 88500.7317 84465.7666 360853.7641 71404.3884 233751.136 392795.6445 183310.7081 108645.3198 381394.7032 (5Z)-5-(3-Bromo-4-hydroxy-5-iodobenzylidene)-2-[(3-bromophenyl)amino]-1_3-thiazol-4(5H)-one 8.174 852924.0142 576.7742 258397.3578 413080.4863 534116.2074 293358.4072 354558.2791 414473.1625 24134.5268 52377.523 616607.0719 999025.0602 800294.0015 33612.1127 31460.8771 43550.7114 1031974.237 258259.2212 732602.8763 38513.7344 435852.5212 320272.7859 592480.2587 387288.798 271663.5587 270445.1724 43717.0895 31427.0156 324718.5608 335073.3889 360582.7677 263651.7404 34379.4726 48918.0831 1144943.445 295237.9794 2041206.186 39873.9918 495304.1802 322882.5099 281642.266 560794.0765 424373.646 526051.9401 35741.6701 281724.9103 1664429.974 385240.184 619645.1517 358446.184 91701.6931 47971.435 674979.5639 33911.2499 580871.1472 6-Chloro-5-formyl-1_3-dimethyluracil 6.013 13614566.99 201.0066 84456.9742 69582.8123 1729115.712 9734673.906 7174789.155 64773.6765 52144.0501 119638.118 1532765.381 149252.7325 5971130.474 73563.851 71205.8017 99337.4942 3686584.505 6787924.011 714446.0712 87495.061 84513.6364 522074.6679 250962.7257 1593856.264 5524564.535 1583470.611 95848.2867 69454.6645 5310563.156 1964962.785 6119978.814 58334.2272 77517.9936 107956.8761 6232375.883 8372316.165 87991.8465 90101.9788 349211.0477 881308.6813 185817.1758 76126.2763 311518.6646 349486.5545 78294.3811 417825.0158 344864.888 274865.2432 120282.0014 590899.4767 208762.0611 108419.2229 98202.5706 74680.8888 97226.4293 (6-Cyano-1_3-benzothiazol-2-yl)(oxo)acetic acid 9.589 168689.655 230.9875 245152.837 112934.524 32372.9065 129597.0296 133210.7233 252311.0815 22872.176 46855.6809 63381.3101 61850.2092 519767.3276 30109.1135 29778.1414 39641.6385 445230.2887 291304.8005 29641.1988 37746.9068 68840.1811 106833.2235 37454.973 62115.3942 187595.2253 324131.6736 39186.8747 27443.4513 139428.5653 91577.255 344010.6603 482065.2754 32077.1646 42116.5808 312027.769 303314.661 34832.9356 35221.2787 50086.3465 148608.8746 38713.4497 31811.8776 26671.793 37343.0523 192773.4602 214201.0678 25979.9354 26425.3398 40390.0883 342117.099 85632.7292 44128.793 40491.4433 29477.8745 34640.393 6-fluorothiazolo[4_5-b]pyridine-2-thiol 7.832 2327751.929 184.9653 992118.8683 654680.7906 820297.53 1624498.544 1297399.175 627287.3329 76148.7011 173611.7572 635552.9519 218610.1643 2909838.715 106281.9399 102520.0387 141411.1055 2014791.869 1677927.258 671599.2732 129166.0812 822507.0638 887579.6365 532054.6084 541965.6681 1034485.412 1324957.425 135748.727 99614.8575 917547.8711 743469.7467 1704344.872 1138683.138 110844.9643 153921.477 1710924.781 1658067.618 577050.2084 123653.8053 571950.323 820918.3141 921446.4102 671159.3382 519149.7989 545761.3188 113955.573 1526475.746 584545.0733 687712.5645 359588.6543 1159567.004 538580.7812 173900.6337 281335.291 106292.4647 392363.4699 6-Methoxy-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-2-oxo-1_2_3_4-tetrahydro-4-quinolinecarboxamide 1.206 778033.3969 361.1074 818048.6915 836328.811 759458.1032 761317.2476 972284.0002 762703.7769 15604.7257 35017.3152 732959.7063 354414.2104 896295.5474 22025.4931 20634.4797 28863.0247 976907.2194 929253.156 1098127.332 25207.7172 1427758.161 1381515.327 575277.4434 1049317.24 915541.2193 1107285.804 27900.0672 20288.5577 1015058.991 685796.1979 772701.5029 947151.5222 22572.0419 30522.0488 797020.6688 1041879.033 739629.3938 25601.1548 956074.7976 1204453.143 855410.3999 903759.2149 1347619.086 809318.0478 23672.861 742113.8501 1381910.599 1173302.962 1131750.203 922904.4841 60918.0296 32260.6134 1425094.82 21878.4856 1484792.867 7_10-Dibutyl-8-(4-methylphenyl)fluoranthene 1.168 1684465.318 403.2429 1455576.625 928169.6543 458044.2776 1501728.513 858008.8374 864384.5527 22736.6855 49344.0545 267020.8359 63523.5497 996527.1784 30929.4473 29441.0128 41181.3959 761219.3231 780367.5119 830095.5856 35966.0498 998867.4244 1079093.458 97928.6322 1234851.633 1177836.251 1912809.484 39807.4604 28947.4557 1285893.695 1197794.711 667977.2854 918240.3445 32361.211 42584.2342 946327.1144 1242288.4 468132.4007 36574.0053 586143.7854 1455641.546 1435833.587 824677.5256 981568.6514 702351.6962 33776.1365 928603.2128 1170304.133 1240852.841 466558.6438 900735.5651 86917.0686 46029.0323 437303.2904 30965.985 709094.5901 7-[(1E_3Z_5Z_7Z_9Z)-1_3_5_7_9-Cyclodecapentaen-1-ylmethyl]-5′-O-(dioxidophosphoranyl)-2′_3′-di-O-isopropylguanosine 15.099 65914571.47 574.2415 353589.3026 194892.1112 22521278.59 53254332.58 398020.809 186494.912 575843.5588 257057.0469 244934.0974 415301.6118 237948.7386 279047.3322 184904.0798 276055.9651 229789.4813 153456.8699 28685952.62 206465.6257 275236.3884 550673.1302 18540809.2 44236692.19 393189.618 1269298.899 222345.5728 183860.7172 385315.0515 209470.346 176389.0403 163698.2672 177993.4301 277855.1235 159579.5614 151232.3668 6046773.706 226388.3949 228477.6634 179684.804 12577720.56 6646659.865 191609.7879 241482.4231 205971.4923 159495.9359 190798.5968 185009.7544 263455.9036 161872.155 555013.9892 270883.3494 284097.002 179538.1708 256343.0441 7_7_8_8_9_9_10_10_11_11_12_12_12-Tridecafluoro-1-(1H-naphtho[2_3-d]imidazol-2-yl)dodecan-6-one 3.861 4762341.121 585.1185 7300458.655 9322810.228 4886797.732 3785061.439 6462406.214 5165523.145 1620952.086 5286242.067 2747407.899 1816807.176 4516195.42 6326730.233 7143424.335 8276131.296 3146672.042 3512838.099 5211199.324 7297771.911 9718066.027 9666326.522 5620547.985 5114197.222 6939896.612 1751338.685 9585299.418 7185145.847 6100861.241 5224005.527 2844331.968 4966968.518 7584865.868 6991015.235 2269835.13 2202169.15 8001715.315 7088591.117 9159866.833 8489858.274 6992595.724 6303833.973 9270242.006 8301159.12 5526920.651 5359295.947 9191639.291 2670114.018 9396839.383 3811331.696 3164900.435 2952969.018 7582371.227 5025108.282 7654714.31 7-Aminobenzo[d]isothiazol-3(2H)-one 1_1-dioxide 8.289 23216.3699 197.0025 27572.5155 35910.8105 40622.7854 29247.8287 31064.2399 32542.6767 1140727.802 664764.2212 46113.7568 78261.8608 22588.8038 587581.2937 1022554.413 711803.4518 24534.1529 109210.8921 36497.2386 815452.3699 38105.0883 33941.0523 47021.1101 31036.3436 27985.6546 24534.8837 522323.7588 654882.1092 26813.8871 29914.982 30834.6206 30404.3952 418277.1722 407800.9975 28176.0517 27331.8173 47593.3084 514589.6523 41493.5107 33243.3481 30114.9014 38373.5297 32808.846 40314.919 126207.1424 31100.9914 31360.3563 32897.4151 49043.4054 31543.2522 675565.1205 409053.434 50914.4902 426343.3428 57298.3239 7E_10-undecadien-4-olide 1.043 22290530.22 181.1227 30190152.83 21424928.08 14960920.97 19939162.82 27345604.23 29112744.59 50265414.43 35181892.36 24656225.82 15350814.82 27617642.43 40067653.05 48741000.64 38880667.68 26363604.49 26697310.19 8890069.159 38754975.41 40626087.85 53339818.5 9127936.897 15518626.49 25773006.7 65500691.5 26309754.75 35204829.19 28193216.05 27117270.43 38129798.24 32448095.29 36096477.99 29677757.94 39175141.48 45374219.66 10931722.09 32317880.91 27586245.07 33347149.94 10568198.99 4408324.639 27805650.99 28347867.29 42525396.52 40472474.71 30881005.44 36546645.7 50995274.64 44655641.02 18988842.69 79634623.18 45532673.96 89859111.24 49437280.63 7-Nitroindazole 1.114 216021.3185 162.0307 344819.655 323639.2389 198268.5667 251107.2431 158463.8599 333034.6854 16267.7878 35304.9968 102387.0782 65272.425 201077.0317 22129.5969 20774.154 29298.1808 210798.6282 247183.9421 287258.3653 25697.023 148173.6112 225668.1784 83963.9304 287658.5674 397567.3996 362499.7426 29668.5364 20372.2256 336074.2045 481564.3815 177928.7085 170806.3404 23154.0043 30468.4377 178115.4856 203667.5046 518551.028 26168.2011 228107.7979 131839.2333 556856.3323 462738.4151 256821.7272 272741.8511 23602.8031 155287.9181 287799.5863 288846.0218 29435.3736 173946.278 59823.2508 31696.1513 155295.6268 21898.954 202335.4611 8-[(4-Hydroxybutyl)amino]octyl 2-hexyldecanoate 2.412 1346814.181 456.4427 627422.5536 1051563.67 1311898.198 586851.1509 4967779.081 2759378.552 3765427.33 1233250.155 1502727.984 2794000.421 4247405.02 907161.2672 1765333.857 1474826.307 3187147.423 3851673.157 1018512.494 1059053.203 1069544.416 2282387.268 1056316.213 862027.2906 9316360.295 3864162.402 1021053.713 808464.628 8167957.626 8537446.564 3872080.125 663941.7144 1043362.147 1287048.496 4953834.021 6755566.119 1824022.131 1000119.872 1029917.227 3030023.91 6078103.843 2020733.671 3833093.173 1149308.515 956680.1818 783349.144 5105877.99 5171384.57 1551216.941 1042485.97 2615321.942 1194662.982 1790813.287 2920734.156 1618045.543 9_9-Dimethyl-1-(sulfinylamino)decane 7.471 30921124.58 232.173 32466255.81 19873479.01 18942390.44 21261335.34 24049825.52 22600929.92 11143768.89 18440708.68 20401801.76 20662143.74 14391458.26 19486478.11 22387534.99 22524899.84 26255426 20900581.28 6904451.742 21216316.77 21975515.48 24204727.64 20643778.56 22340983.68 16878881.76 29137602.89 21893794.88 21492015.19 20533456.96 14736845.01 21355340.88 24388775.9 23217071.33 19587213.22 21983050.12 22015104.73 22411572.88 22499453.35 22749253.1 9758628.429 16015241.91 22578529.15 25666813.88 34358140.16 25599748.08 21139021.68 12429260.72 21267319.59 20634077.18 18905992.23 21312115.52 28970016.01 21312400.78 30839813.18 21470551.11 9-Heptadecanyl 8-[(2-hydroxyethyl)amino]octanoate 2.142 2617422.088 442.4269 3470454.421 2065594.962 941478.511 1736265.798 11217752.8 2672819.872 8581156.995 1070209.779 4604234.68 2277778.318 15993282.85 3218451.031 5111416.526 1897968.664 12495477.48 12430344.64 1021213.574 2997210.009 1763680.663 3274591.06 1385554.878 1105759.305 9217944.086 5328029.616 1542748.197 1923091.128 8463259.526 7365857.924 11194106.73 2611604.974 1614368.333 1488964.648 11804256.47 12348065 1682211.273 1342242.313 1133907.967 1332343.744 2583571.832 1317387.925 4817345.812 1060171.282 3121443.137 1319735.793 5393476.332 5726551.007 6400710.459 2862129.845 2807496.603 7066936.237 4416796.656 11370422.64 5175353.467 Acetic acid_ (4-chlorophenoxy)-_ 2-hydroxy-3-(1_2_3_6-tetrahydro-1_3-dimethyl-2_6-dioxo-7H-purin-7-yl)propyl ester 1.003 217319.5453 421.0901 144233.5602 139976.7568 131815.2732 196411.5599 422778.7383 129668.8975 14736.9752 29423.9692 385497.8626 174935.7689 134182.3736 19392.4887 17845.5395 24844.1128 137105.2654 158732.1193 126691.1414 22299.448 142509.8171 172367.8553 71643.5846 108940.3796 248994.455 162741.4119 24259.4915 18164.3268 206774.2845 216011.6778 83337.0482 82719.9931 19317.654 26934.5376 91384.7887 105811.4612 140921.2115 22076.0133 113361.5499 150120.1493 167745.3447 137649.7214 277330.8921 123561.8389 20441.3923 122410.5225 318297.2543 281836.1834 114603.4235 115925.4705 50336.9645 26548.9302 121384.8347 18781.5382 117088.0387 Acetylphosphate Acetylphosphate 7.926 46039.7466 138.9805 53676.3323 72422.8205 77948.7001 59874.59 59569.2882 62393.0527 956385.0412 437427.7504 92935.1442 152706.7365 44840.698 526489.3005 998529.4757 529477.0864 48348.9839 52000.7256 72453.8824 646494.3854 77201.5343 68403.7364 90594.4638 63461.0486 55033.5121 48581.838 339530.4173 477290.9198 52606.3508 58858.6548 60947.4933 59173.9303 340769.6285 350378.7734 56151.4469 54535.5291 88946.7833 473020.7573 84656.4808 67645.1116 60350.7482 77499.7777 65512.4365 78532.8158 531298.3769 59914.7066 63584.796 71901.6453 96805.0278 62126.5107 245031.9431 340287.164 100947.2815 481713.9212 85842.7182 Agelaxanthin A 2.465 7022880.934 549.4109 4554758.589 3139568.068 2438854.887 5389124.296 2164328.144 4398235.721 16665111.65 1079109.976 1181589.373 2444786.822 4457331.585 7304960.709 10459383.05 9838659.467 3486582.426 5206548.708 1210306.982 7118320.704 4469844.074 10777137.15 924290.4682 3465282.866 1491215.68 17509602.84 2029241.725 7413841.706 1102875.185 1457784.391 1323624.556 9071318.932 4536247.409 1659779.764 1650142.437 2359332.082 964672.7788 3595849.746 1679953.45 2237481.988 610072.4292 1022779.748 652365.4613 852313.1718 837107.6409 685440.7213 701430.4151 609603.1727 1199830.727 912188.8252 2288440.821 1045345.696 1566984.991 1868193.123 940193.2746 Alanylisoleucine Ala-Ile 0.67 1807574.664 244.166 219443.0767 271662.0022 532478.8063 1597963.601 2797526.249 250160.3066 2867366.214 384800.8171 1175875.778 759802.6516 3516810.27 1292754.06 1854675.839 1011103.197 2420890.493 2126712.831 235920.3873 868542.5057 229747.8067 331414.6709 381089.1459 242690.1453 317275.7747 664673.9195 565338.2727 684001.585 235714.8988 247300.1266 2006315.572 745057.5604 922311.2709 1023130.157 1999982.96 2142421.637 308009.8265 1287620.885 266928.0928 239311.5414 279619.6217 294759.2946 311149.525 276035.7314 283433.3116 254629.7041 287275.1165 303445.0478 382556.3387 400362.7082 603666.43 655239.0089 272750.4927 1077766.961 336418.7832 Aldosterone Aldosterone 0.94 3395120.442 361.1994 3314810.227 2448918.651 2558408.459 3151796.579 1919882.831 2233769.043 3412214.044 1659952.42 1334503.588 597849.9513 1295255.035 2950428.235 4051058.909 2236811.651 1104966.008 1372552.431 2537980.92 3452979.811 3506834.697 3312359.141 1869906.658 2785587.913 3001427.073 5427933.138 2070873.646 2556011.697 2055737.756 2433068.053 2377982.623 2538842.527 1940962.728 1167951.116 2053408.414 2456874.959 3500668.113 1815615.35 3272126.649 4027989.198 3754271.336 3310725.703 3038323.133 3562547.089 2024642.352 2266821.65 3638298.883 3547326.697 1831269.27 1823714.645 523407.7427 3201541.56 2009538.821 4565747.677 2986100.932 Almiramide B 1.191 3041206.126 723.484 4525507.018 6876080.369 6421866.478 3548127.629 5164082.803 5976430.103 19412.6048 42937.0722 4736626.055 3275890.506 2645214.238 27400.1737 25669.724 35906.2059 3745561.285 3937733.203 5670849.605 31358.927 9303089.327 2386353.962 2428027.313 1841789.612 4486085.034 4166515.157 34708.2666 25239.3898 4244555.984 5742765.809 3972452.042 4285552.393 28215.8552 37970.0666 361108.0063 3407221.358 4914739.136 31848.3716 6420583.921 5010282.416 3808514.947 5691551.99 4899931.305 4359223.767 29449.5338 6251328.439 7279218.681 3261335.575 4109202.692 4423915.736 75783.3019 40132.8773 5958520.224 27217.2933 4164568.605 Aminomethanesulfonic acid 7.549 38077455.71 112.0066 48738858.27 44276723.31 34339573.8 25103717.24 38529410.51 31750310.62 39934916.65 42019349.31 42478019.51 58427826.43 56242486.36 36928835.13 37664471.49 41766646.99 45001524.63 35432616.57 41126586.87 43491200.98 32689089.72 33446970.73 31738068.63 33796158.38 40291406.51 25181170.35 47412726.79 45916602.57 33578684.98 28050656.6 33312573.75 33964885.94 39687929.93 52607408.23 31740637.33 24938897.57 44260841.4 42129321.21 48037663.94 44600839.42 65596857.48 40580300.08 41927998.4 44955028.04 45798177.57 40833901.36 38969638.26 28124852.74 41946148.91 31558974.93 83520848.58 48722039.4 42441410.64 43273926.63 32449045.42 Amlexanox Amlexanox 1.115 1453984.373 297.0885 2379477.297 2084478.274 675028.5931 1454162.474 930844.5154 2007346.003 14746.4345 32003.2957 593328.1666 81430.8053 1683928.923 20060.051 18831.3681 26329.0474 1538486.793 1674458.86 1251586.621 23293.8536 973959.4025 998154.525 437473.2602 1646662.553 2877999.109 1196240.991 26893.9535 18467.0279 2767353.121 2971068.182 997659.48 967149.7164 20988.6563 27619.0485 938100.9072 1116522.776 4456285.648 23720.9673 1266725.639 1830406.803 6283347.584 5105459.537 1163843.041 1649403.633 21395.4838 1031533.265 1633304.656 1876491.314 463138.0496 1001064.261 54228.618 28731.9471 579810.0531 19850.9776 799860.143 Amylmagnesium bromide 1.382 30952424.84 172.9821 18140969.16 14561172.23 21776403.42 28299851.81 17993425.64 15521301.08 49548.89 111865.1732 12136628.34 4548771.142 21161799.97 69936.4254 67118.9293 91955.0561 20561209.68 19891213.16 16978106.68 82695.7452 20010396.87 22352187.1 12137438.44 22189604.94 14036724.14 8359185.063 90464.3993 65667.0324 13803325.44 13097981.64 11945059.13 19878116.99 71991.8457 101624.0657 12633444.52 14397796.43 21020112.01 82266.5957 11757521.56 25115002.33 38960163.57 28238749.94 15146369.37 18853603 75255.7511 1770212.62 16648709.02 13120275.96 8940561.931 19922159.18 192653.5231 99820.2481 8942379.281 70084.7701 7250656.169 Anhydroprasinoxanthin 0.643 1933484.065 583.4164 11494232.2 7724910.067 526099.655 1558859.401 5170473.627 8358258.696 13875835.97 4362742.734 2661694.673 616392.1659 10918940.98 7424253.417 5477113.622 3252103.046 11802571.47 8870286.998 562988.4931 4786700.653 6738008.065 8485641.885 436339.3988 580003.623 5677525.8 14339838.34 13908825.46 20083101.08 5188163.769 4542284.02 6623495.486 17900249.52 8440590.197 7676658.302 6941550.867 6826211.537 2649380.724 10560889.64 9069094.333 18497695.1 4656168.502 3109027.259 2259138.442 11519283.63 17436955.56 16359960.6 2727240.619 2909108.307 2195011.517 14524818.58 936816.353 14053392.77 1500792.085 17846022.3 2283032.07 Annuionone B 17.671 280860.0117 223.1332 275007.0302 1600033.009 352318.167 493977.9365 1741235.711 715786.1703 173548.4218 406567.8985 2477896.583 828601.2363 1065301.957 1128689.867 280311.1229 386414.4261 309696.8247 314395.0674 1164610.926 397983.3608 1872813.188 230633.8087 2832853.505 358576.8589 315181.4291 329970.7075 374508.753 299227.4787 299926.3677 1989620.997 402978.6782 315171.1375 1380504.071 1226890.506 257593.6239 451743.7115 505411.1506 287757.8819 402252.5168 337882.42 1658495.275 589993.7625 635896.6015 539565.9228 399368.8147 1921295.602 396017.628 495315.8562 488748.895 2383075.936 842013.9167 569876.1799 2231151.122 619401.0282 919083.759 Argentine 4.437 797918.6505 407.2072 573855.6337 761890.3768 347668.5405 1472849.592 2903253.211 553758.5051 395410.2781 870709.6199 929838.5229 821266.9959 1060070.467 393620.1276 3345367.734 984701.1009 151614.8232 1016298.217 329470.1193 738581.1183 893586.5251 320227.088 812225.018 306295.5759 419229.9298 948324.4727 371267.4371 309442.9014 374598.1267 419671.7885 202235.9354 502656.3603 477460.7976 1032810.72 355725.5265 1347068.35 434851.8554 354056.6994 623038.3876 2792335.135 590970.3886 1037009.965 2072339.65 655893.5578 918265.7493 370971.1736 326034.2824 798981.2807 558339.5586 288204.8498 4276122.474 477664.2784 2146804.958 1273557.471 852759.7324 Argininosuccinic acid Argininosuccinic acid 10.526 65907.3159 291.1306 251358.4318 289364.0459 101431.7945 82883.5864 100544.0428 174915.1376 3123746.759 619131.573 123428.7775 194680.04 549692.7273 1046894.409 1179607.115 583941.6419 424263.9596 373045.3092 93693.1799 739912.0886 98955.2645 99052.5652 119375.7326 119608.9033 156822.2004 69860.8458 849430.8577 1453380.429 77226.4951 145580.2241 313898.7638 1244229.892 260617.5726 206383.2774 322010.4129 467568.4238 116447.2286 394747.7319 112591.1677 92464.5436 143707.508 121703.7529 90993.7686 101056.7011 135521.582 190690.9508 108458.111 91028.1808 178740.1748 164464.6008 241342.3424 137071.7786 128828.5599 88875.5286 109494.2712 Artocarpin Artocarpin 7.619 45031620.81 437.1949 32142238.71 12256136.42 34944225.87 35171566.62 12648807.8 25405470.87 25754950.22 22772126.29 12977139.49 18390116.26 26623386.54 29532856.6 13723378.31 12126743.18 30775798.24 10761953.18 18315255.86 9901930.206 12002162.14 15682688.92 17568423.91 3171651.682 30709891.68 20101170.18 11153869.62 9854892.452 21074668.94 18359354.04 9497105.736 11665296.72 26938026.49 24198688.55 10185335.42 8157958.923 13466486.34 28650345.36 9503493.218 18870963.13 7510652.445 7451411.891 23376925.18 23210085.09 14270785.21 5984037.866 23259807.49 14070141.18 32647945.15 10772390.89 12337813.51 13520211.55 19184469.37 15130038.27 10436693.74 Asparagine Asparagine 1.899 14792377.29 133.0611 30707120.26 20169324.6 5595734.909 13752337.14 11583853.2 23274043.56 167106392.3 48842127.27 4297994.056 2084847.93 159405566.1 85885029.93 99590070.61 58997893.36 124100048.8 127714984.7 10776901.01 80603201.58 16758993.66 21374408.81 6473391.306 16417709.18 9132907.506 29377569.84 68833407.32 100052257.4 8880750.392 8365076.193 51979373.62 93489100.57 62742412.58 50879416.64 47613340.87 56940500.2 5078134.166 63949043.21 2432913.901 6822810.997 9401699.023 6299836.47 1742717.267 3496456.928 22001116.23 20685577.47 1798322.505 1468114.806 1375039.385 19960028.42 3566258.734 50317450.59 1437515.337 82877306.2 865258.5699 Astaxanthin Astaxanthin 1.049 33151929.62 597.3956 18709511.73 18854069.78 21088940.61 27667958.48 9013937.292 18383660.03 19024126.2 13542521.05 6907261.154 2817865.883 10889487.11 16145047.37 12988965.53 14691327.99 12017479.12 6906338.728 37099831.1 15861161.93 18584093.48 23748288.39 28886858.41 37576778.51 13685742.79 24856789.52 14104935.86 18368024.97 14165439.58 13821813.89 12960099.98 18960534.45 13311753.86 4909946.682 15438787.09 5232186.392 30519778.45 11548865.58 12758866.54 14867766.3 27250277.99 30722703.4 23577602.48 12033097 2178683.958 3366642.147 25662653.13 21429300.71 10996926.32 3117694.181 538373.0381 25170084.71 16308688.01 4553794.31 17819623.22 Auroxanthin 1.058 10514325.63 601.427 25623282.05 26996148.03 6484910.56 12137896.24 15314025.05 25322943.28 49492407.39 30155525.57 15907788.03 8862668.908 19700508.56 43212635.25 31268173.41 36074053.48 20913548.52 18548410.24 4287599.466 24818941.55 36351815.66 48439117.21 2968455.517 3653329.205 14799633.8 50257664.95 31364063.66 38735430.05 16923942.88 16175414.02 21805192.19 28600830.21 28268249.79 34085196.81 37759322.06 31734994.28 2601639.659 27390386.48 27926696.99 33927735.77 2316269.344 2650698.425 25720507.65 30965239.95 40611937.25 42678396.97 33890417.78 29964382.58 43699205.84 40607040.68 14528394.55 64895530.21 35702694.91 78430108.72 45012118.34 Azimexon 0.986 18572838.02 195.1231 19783965.08 27635306.09 31753827.67 18932206.47 21891662.08 23216172.32 15467659.44 855436845.5 40649355.53 108483710.5 13764374.5 25570877.21 23231360.31 39982168.8 15527470.22 15663970.01 25154789.49 34154195.55 27874813.76 28305292.68 34515534.21 19633535.24 18708041.94 18933540.04 34546728.45 23346583.61 18165518.88 19218331.65 18453807.21 16959094.76 29094772.63 44991549.39 16923787.52 13494099.25 30116983.76 32884216.57 32560780.27 21311611.64 14649977.24 24950425.11 27090571.35 29747404.09 24953910.67 22000172.72 28817506.64 22538268.01 41375363.72 19797692.12 146436013.6 39488997.72 45644562.03 26451201.85 33067467.99 Benzothiophene 6.011 69507.2233 133.0114 83783.2423 110364.2118 117178.7855 88831.0918 92165.1226 98389.2653 5389664.033 3454598.576 139922.0884 226710.4091 67711.2998 3301656.598 4737064.56 3079059.624 73374.4989 78047.3021 106061.7151 2979480.598 118645.9014 100778.9421 146614.5312 96379.314 83389.5353 74649.2107 1660388.017 1228576.436 80810.8961 91034.7845 91722.2506 88607.9356 2390218.745 2228443.821 84593.6683 80037.449 135098.8431 3073275.938 128449.305 102062.1455 90682.6468 115633.5228 98995.8015 119718.8533 266978.8665 90106.1627 95708.2264 111517.3728 150280.7303 93580.2098 4033650.623 5699456.338 149166.7495 7285912.598 127763.1933 beta-Alanine beta-Alanine 1.202 42662170.39 90.0552 24592511.2 22725095.6 25435329.52 35547190.87 36255122.5 23417858.06 57216587.4 35058965.71 24409569.01 17073096.17 206970272.6 42974171.8 61191812.81 47908702.08 176650907.1 176797925.5 30144405.09 56366671.93 21990590.41 21756997.92 24903719.54 32777819.9 23473650.02 26405002.21 29549400.19 34484933.35 19981203.53 20469395.75 75922241.94 32934423.79 41526271.86 38635729.01 75922564.78 93080958.45 21190515.61 40268451.85 13606344.49 15817162.58 30515347.05 21252453.37 11817694.11 14382994.91 39388443.16 41710506.82 8733864.731 8849176.508 15180118.85 32723367.87 21119531.05 66512319.94 15151091.43 70509794.18 13881197.13 beta-Methylstyrene 0.993 41051179.71 119.0859 39220545.62 31530739.27 29644781.21 39865396.36 22996437.01 35565224.68 49212131.59 37731636.4 20009618.11 8847747.63 41609877.89 42161258.52 25514286.04 21896283.94 40878678.74 39509789.84 25334587.66 21115836.88 27722280.96 29817241.27 20004788.03 29047985.75 32813540.36 36457512.46 20630323.52 24117527.44 33450266.76 32950004.22 22880759.8 22239621.29 44474228.72 37407687.32 22916249.73 27779781.93 17787606.04 38154038.08 27724887.83 32994226.46 18720623.03 17899912.03 32826352.47 28640016.75 27374637.83 22436221.69 36607352.76 39803460.48 24920661.21 24414225.03 6368640.356 22546865.92 23324965.61 27581797.96 24266831.81 Bis(4-sec-butylphenyl) (2_4_4-trimethylpentyl)phosphonate 1.189 17362010.27 459.3038 17703957.93 15671179.94 16362381.06 15850881.89 15654403.58 15243750.83 12999424.39 9777924.058 13922403.78 7156945.096 10754917.78 12014218.86 17888871.14 13487213.22 9690327.058 10652446.25 18941885.11 15885160.69 15897488.45 18215347.76 16265303.35 18774158.48 12483265.72 19043183.92 14481344.78 16543901.17 11169646.5 12471886.48 6727122.264 11745613.44 15005405.77 15386639.52 6797516.367 7087753.749 14555325.2 16313240.74 12507661.15 16221667.59 15316958.13 16677738.9 10261434.28 15544308.79 13630219.86 12360454.01 12189274.93 12146386.96 7550705.95 12448151.64 1442219.597 821584.1502 6479610.12 784431.1936 6689440.145 Bis(diaminomethylideneamino) butanedioate 0.218 749151.1592 233.1003 836897.1678 1028270.243 598010.036 838992.9583 1133354.576 1047548.478 558803.9733 1076962.035 1716805.403 3826153.009 676444.7703 928326.6009 1278672.869 1490425.589 691011.5797 727372.6975 687432.2463 1263258.934 1352631.935 1776903.351 717855.5057 1829141.989 633146.4875 900720.2454 2529082.585 1913017.42 710480.179 1051981.806 853753.8712 667510.7333 1154193.4 1706830.98 998971.5492 1434665.302 1161849.767 1745011.521 987797.4756 738805.3441 701164.8914 952018.6473 2617986.313 1023778.524 1007808.315 1064501.806 1103621.542 674866.0257 1395849.635 258556.9878 3488621.972 1531417.712 1454787.529 972124.3826 941583.6134 C10E4 18.243 276330.9158 335.2801 7074943.444 7808818.386 12573495.31 6680635.412 345852.1037 9938345.509 4289282.549 3231419.868 706049.7647 19262929.87 1992927.93 7158377.118 4536448.61 2831453.434 6369068.374 2183148.725 9978494.739 3584274.017 7524777.489 523010.9291 3841202.666 331300.1284 10412040.66 288363.7851 7787302.091 7094024.828 8294521.255 333563.9402 6336075.773 8326909.442 10069105 13226893.15 5564202.97 6298413.472 402080.346 8859031.238 10516333 9359193.838 6247599.759 7733821.559 9564884.523 10454362.43 7226983.381 7087873.92 9817481.448 8064833.924 11035100.09 368989.2665 6896701.177 3522710.703 575233.0538 6195788.94 3939393.869 Cer(d15:1/16:0) Cer 15:1;O2/16:0 2.914 16999466.45 496.4741 9562177.672 5213923.472 3749621.154 14359245.06 19256964.16 6723209.521 22160408 2843984.208 9120181.639 3114753.708 35546669.06 7768562.89 14924896.65 5690152.125 29988344.19 26786652.26 3218648.14 7712600.65 5522037.8 7561721.145 2100179.083 4537175.885 18787316.02 15897629.96 2000493.414 6425974.82 19517145.94 15384538.82 24670784.72 6901901.434 3336761.773 1981330.865 24406241.18 35084616.6 2690729.987 1910149.063 1456097.344 4504099.083 7570572.477 3427969.261 8334112.225 2164681.427 5232968.186 6430809.064 9884787.214 11990467.65 12559694.57 6878079.662 3413518.711 11756544.93 9834253.367 21257138.85 14620904.92 Cer(d16:1/23:0) Cer 16:1;O2/23:0 0.682 4960734.008 608.5996 7741611.446 4180244.747 1645149.606 3738444.656 2836499.592 6472000.262 4255296.781 1262596.923 1575108.836 633265.451 7234142.217 1870071.728 2167227.258 871834.6596 6725496.704 5733903.165 1887054.479 1513153.937 2038915.509 2501649.192 1875842.634 2867900.031 5506231.546 5323702.299 2441275.926 3959140.905 5443494.324 4587962.704 1800851.086 4478071.748 4862592.419 3651421.181 2853174.557 3371740.643 2757518.592 4089205.455 3857604.796 6951833.625 5654832.685 3275704.686 3306621.207 5079869.993 1836260.79 1565078.687 6478585.606 5421094.4 1635152.239 2043801.246 440689.9869 876643.4587 1245780.636 1995771.288 2030280.554 Cer(d18:0/12:0) Cer 18:0;O2/12:0 3.513 1595643.795 484.4741 3631430.829 896131.4134 932291.3672 517861.6341 1290115.91 1828208.784 10475860.25 1371651.884 993651.7005 1990915.224 2096351.153 3269178.13 3751477.37 2276994.712 2008304.841 1497665.441 804673.5021 2726664.926 1187606.896 2379541.609 999494.8258 692225.568 2320107.973 9472604.989 1050204.459 1907873.313 2124550.532 2477241.364 3807340.373 3893270.33 1096921.139 1445025.945 3275886.241 3103701.749 1133703.666 783314.9005 1033030.081 1921092.908 1315514.42 919353.9288 1127921.298 909101.841 1471821.054 2603025.815 981760.1046 1704684.735 1154470.079 2370378.813 2341083.562 5606617.612 1325907.281 17012296.95 1373414.208 Cer(d18:0/13:0) Cer 18:0;O2/13:0 4.258 100706986.3 498.4898 54810168.65 32318001.37 35070163.5 80903668.81 87220810 41253974.36 118878435.1 26238632.6 34620512.38 5760332.87 139552645 45855733.39 46179673.22 32268527.35 85241133.51 92408316.7 27225641.03 37057289.49 35819901.14 51853704.75 15994607.24 40386870.8 65205316.45 98378472.2 24148554.34 41278418.93 62355978.76 56820938.76 70043799.22 48488700.66 24896235.97 16017877.41 68124743.04 91928969.63 18140206.35 19740723.83 15106630.58 30902758.48 43680983.53 23452093.86 42814769.49 20145912.23 37739058.33 40858359.08 43451031.35 51721636.15 51620966.01 45115807.77 5570885.725 65698286.02 48415687.77 126680897.6 61950246.23 Cer(d18:0/20:0) Cer 18:0;O2/20:0 0.678 10641849.87 596.5995 7178977.301 5118405.82 4532931.422 10381814.3 2740691.793 8835254.413 4889693.582 1158750.896 1173329.334 828744.5108 2393485.917 2217514.778 3230719.002 1037327.023 2143599.023 2211575.719 6310681.107 2550905.318 7822712.099 9102243.141 5008766.313 8192699.575 8202631.977 18304307.67 2403089.671 4461391.429 6494974.287 8522702.558 1230037.944 5415733.758 5156814.192 3602170.822 1447054.535 2089117.381 7224593.791 5515090.873 5935162.511 10946559.8 11879160.23 8752882.091 6080972.888 7346745.876 3244214.816 2911397.552 13395804.49 12449562.39 3940651.228 3584252.124 517772.2361 4133077.258 4148589.484 8219374.941 5429531.418 Cer(d18:0/22:0) Cer 18:0;O2/22:0 0.717 20306666.79 624.6309 22214924.26 14797946.22 9213322.393 19455244.23 5262279.427 22442119.75 6160633.367 793535.9592 1989561.078 1033675.402 3249115.982 3001681.32 3352993.201 1597255.39 3034572.09 3487814.243 18195415.71 3154255.684 16575329.23 24663791.03 12842728.23 22058806.83 17086336.39 44492196.64 3904459.747 6301220.515 14303575.83 18078076.42 2073619.725 9444608.114 9909518.634 7907471.63 2641507.507 2951300.23 16187475.47 8084538.604 16164261.24 30227820.81 31320864.64 17718389.24 18272743.49 20235519.49 5137464.802 4586913.125 30525328.85 37173146.21 8848091.814 5605448.427 569863.9421 7410203.375 9442354.964 15239634.01 11614097.12 Cer(d18:1/14:0) Cer 18:1;O2/14:0 3.51 3309972.373 510.4896 2330958.47 1909652.467 1419681.575 4099110.073 2927411.801 2807208.974 15678971.33 2088734.247 1666367.001 3031740.678 9575724.754 6375561.65 9166614.043 5823621.835 6105192.145 3686244.639 1225346.694 7744591.8 2721928.457 4795613.731 1522018.157 1999454.174 4464293.6 9562285.595 1599238.149 4790725.178 5360352.345 4366795.764 6887723.563 5200214.724 4526253.096 2200467.345 6387321.77 8831896.584 1726389.691 1360957.096 1573085.222 1480623.024 4036364.157 1399980.606 3279163.328 1406868.345 9337278.926 8627902.508 3893686.579 4359881.539 3285580.235 10666592.57 3564972.62 23362296.39 2818940.008 45972110.02 5102392.193 Cer(d18:1/17:0) Cer 18:1;O2/17:0 0.663 20772493.85 552.5368 11898548.98 8480198.262 9749512.534 19248133.85 92247269.58 10717002.82 21031710.76 8250639.818 49586417.83 25887889.58 160331080 10746903.48 5541843.774 3542453.036 176361484 142253577.5 5984527.826 5205249.016 2844014.44 4487729.338 4272095.543 8052404.797 76265962.37 6922176.109 3327249.946 4776788.363 74857869.04 70418039.85 40111142.61 5764830.291 5396192.454 4760924.52 48940742.76 52924276.12 47310278.59 5441227.21 3669076.051 6761310.869 85727692.05 50979091.09 46864615.84 4936205.115 5020583.879 4849222.731 60265049.86 58282534.05 22046952.4 4881091.818 416641.361 4952357.348 17612505.83 7235872.708 22863623.36 Cer(d18:1/18:0) Cer 18:1;O2/18:0 0.666 4483360.718 566.5525 2762867.935 1691771.451 1705762.356 4421815.413 8985233.214 2422589.674 4265845.77 1270475.212 4091787.772 2833229.977 19364424.49 2143875.17 1192918.659 410861.3232 23197902.02 18766031.87 1383311.852 833353.0648 492534.4895 984182.3127 1260519.604 1504486.96 11140569.94 1190695.319 728471.4654 1062291.336 10922510.56 11499488.7 5057854.117 1373680.468 1382393.464 1038358.314 6546306.362 7485487.674 5282830.731 1456156.733 847049.8232 1613489.662 9248290.928 6064298.618 7330087.896 1151992.962 1218381.492 1204282.266 10441316.67 8239437.814 2120913.053 1397604.213 418166.8468 626500.215 2104944.409 1281504.299 2976544.079 Cer(d18:1/19:0) Cer 18:1;O2/19:0 0.667 16632309.69 580.5682 7619032.848 5153337.966 7901786.132 19446819.2 31852216.02 6734572.662 11536766.61 5691109.181 21163329.22 10557119.79 62471104.16 5376665.186 3722066.802 2335609.572 73069376.9 56189646.46 5726983.827 3998943.399 2660313.28 3079992.459 4203982.363 7890886.048 30928894.74 5694670.097 2837334.16 4578295.603 31249037.63 26355796.86 20509977.37 6251629.245 4185608.414 3732621.543 24240460.37 26479672.96 18951514.73 4968710.943 3981188.048 5716031.643 34363785.37 21233879.63 27773770.04 5437427.868 3023109.449 2972702.114 27595765.53 27324017.02 15839123.46 3125730.892 409588.0455 2895906.215 10083567.99 3988662.92 18505478.79 Cer(d18:1/28:0) Cer 18:1;O2/28:0 0.64 452172.1473 704.6951 466345.0229 536044.0161 388437.1421 464940.9714 625992.1975 561490.7887 14267.3108 31013.7032 474503.1296 186628.5229 502388.8995 20428.3865 18367.6817 25106.4867 442219.2208 473843.8564 390582.9014 23014.6816 668955.4289 693248.2999 568301.0551 428758.6366 804354.9091 590553.1987 24477.9817 17965.0013 770512.1803 758563.6586 861160.3321 569146.1722 20694.5479 27225.935 731281.3575 634585.3044 616732.9169 23192.6552 644935.3536 394249.2669 457304.6039 292379.2603 738064.5489 664187.9392 20640.6161 271492.091 772787.1337 851671.0471 545328.3988 343889.2691 53628.7276 28659.7958 514814.7487 19618.9699 594298.5505 Choline Choline 0.63 292300296.3 104.1073 289460245.7 219286572.1 144480903 260328301.1 282917238.6 238916009.9 357083110.4 168426057.8 195308808.8 106043817.2 380398441.3 230143766.7 314365694.3 211847395.8 351164379.1 332313773 174713873.2 276812794.4 203880112.5 253091437.9 142558295 245973777.9 213265661.7 332190966.9 134450050 170122355.2 192794514.2 193139342.1 296302769.8 163694841.9 142409555.1 122874602 290045559.9 305134884.6 207061709.5 138273311 160816853.3 225508994.9 298635494.8 219058285.8 117061737.9 178671231.4 166293070.9 162499455.4 124649806.7 133747475.4 232977993 158559667.5 87267792.69 260709465 217417767.2 369940871.6 241927686.9 cis- and trans-L-Mercapto-p-menthan-3-one 0.966 9150100.218 187.1155 2731742.473 2814852.828 3939713.975 7057879.321 5485851.526 2390164.261 9762320.488 5123801.929 3533759.759 538161.2997 4035178.697 7213715.235 10185333.67 7176154.263 4278910.826 3704030.142 7118637.336 7882844.441 10152994.74 11330652.67 4609128.822 8705052.74 8209967.317 14945056.97 5229940.12 6484065.235 7487276.365 6817422.341 7473791.116 5889218.391 6349273.818 4953094.675 7039989.23 8271132.898 2542640.002 5550403.803 7012234.47 10498768.02 4711530.179 3283237.973 9312890.113 8391827.374 6627804.527 5755068.29 9919068.556 9616204.121 4689593.424 5511569.283 832572.0333 8318175.718 3591159.038 10872386.32 4984025.357 Cladoacetal B 0.969 40004935.64 205.0864 12233800.62 9853500.899 18328787.67 33712394.96 22557987.91 9960698.835 45698715.05 16920890.02 14044176.99 5162596.221 17418274.75 29754546.83 41477990.87 26776404.09 15144180.77 15822261.08 25718948.41 31890587.95 38344797.34 39295847.16 19240225.71 39286636.35 32000359.45 58882853.07 12280753.24 17892582.6 30720872.68 30610464.8 31321615.1 16585144.26 20706331.45 13345286.01 31305876.73 41678760.04 23312984.43 17622435.75 26548663.28 39234911.02 34304610.02 26690006.4 33203085.53 28815005.14 26506663.32 25590659.02 37967064.29 44374750.73 16329210.99 23654825.08 4117844.685 28139619.18 15714724.91 42199534.62 18773883.66 Coffeasterene 1.653 4936713.061 439.3947 6110533.162 4325942.638 2396034.456 3935925.114 7389665.923 4702972.507 5256846.851 875916.3898 3058757.199 1089883.72 5895107.505 2722186.27 6495728.871 2834618.109 4984172.088 4918323.217 1952383.701 4169910.169 6528368.652 7063428.023 1760413.082 2939932.906 8502090.986 11581725.62 1883291.922 3309631.419 6785353.325 7443936.634 5774848.68 2670303.856 1893171.19 2324643.438 5679467.602 6092046.776 3333480.423 1510618.004 4746320.125 7566551.233 6281919.039 3503536.618 7058659.125 4373980.174 3444415.53 3127570.113 8302975.329 9527899.563 4916596.312 3973923.947 1850558.299 3314784.191 5001625.142 5365121.16 6274140.877 cyclohexanepropanamide_ N-1H-tetrazol-5-yl- 16.994 817463.2549 224.15 1000292.041 1061795.508 1435862.937 1224057.212 917225.2678 1146939.932 872014.8975 1611436.56 8194764.002 2760344.652 5559654.119 1142288.501 834370.2124 1341093.936 5873354.812 778637.7125 538878.1022 1149815.526 1122977.115 1482233.839 1496986.418 1951009.392 983141.5375 3446846.574 1211252.135 974857.3888 920685.0763 1140856.365 5831011.233 922369.4355 1460836.059 349655.5636 1013483.673 919093.1286 1224028.96 942475.2396 1148017.326 6638601.414 1199533.355 1470327.988 1139335.676 1530300.447 1094567.955 927361.0041 7173017.323 6931113.019 1717937.451 1113144.473 2752940.891 8981310.483 1884874.471 1060852.748 1698088.216 Cyclohexylmethyl 2-formylphenyl hydrogen phosphate 1.106 11555.3263 297.0911 13530.5685 17976.6276 19320.934 14903.8505 14959.4323 15430.6468 2026084.31 955544.1518 22720.5688 38346.0599 11284.3754 1607646.74 566828.4446 441361.2977 12454.7431 12921.1207 17521.6138 461100.9035 19789.5336 16403.6466 23141.0603 15790.2996 13710.0031 12314.8336 462574.1266 835056.1048 12613.3383 14427.0081 14335.2476 12580.2953 1421224.433 1341931.505 14062.3634 13961.7483 22277.3378 1506761.283 21173.9946 16150.5914 17385.1177 19439.5937 16070.8919 19319.2401 1032140.362 14628.6106 16141.6899 18899.0207 23233.9626 16222.4963 50472.481 459902.0637 24431.1872 708494.4442 20793.4762 cys-glu-arg Cys-Glu-Arg 0.693 19307246.38 407.1692 25711946.52 25340460.39 15938368.36 24411771.87 25833256.43 22841623.92 29786093.34 25294887.63 23039319.58 16234629.19 21313861.77 25672053.83 25114266.8 24517073.39 23263280.71 21173686.58 27160145.38 22537731.94 18018651.64 23840990.43 18972380.67 28338646.1 26895272.11 12105789.2 27985300.07 28267756.21 28903368.33 27005377.64 22487299.65 27933416.41 20542125.7 23605016.16 25419705.28 21331529.25 28909477.15 16278692.94 23209606.75 29679356.92 38863943.38 30275675.1 26282781.26 29106757.58 31978129.85 29813844.94 24096366.73 24247707.43 18124837.59 25813398.48 7629436.406 24971576.6 17830262.85 24092666.6 15459184.39 D-(-)-Aspartic acid D-Aspartic acid 12.764 6941914.47 134.0452 5802021.524 10262324.51 8841873.504 5708083.464 8186135.601 9955714.081 16869024.61 11104234.31 9213441.02 14186039.27 3826060.755 7179076.412 10783014.33 12589823.69 4310949.882 3746316.049 8086728.725 7590506.626 10172754.78 7239802.071 10402272.31 8440411.286 6351788.898 6779978.164 27075036 54629753.96 6578738.939 6806877.449 8831099.763 50632615.5 12915653.1 14417153.9 4028992.034 4665329.987 10012886.41 12614390.8 10256602.41 10270500.45 8353169.565 9307921.62 9557470.178 9726673.669 8912468.964 8157205.672 7609828.025 27608135.18 12426506.35 7935212.85 20099833.36 12630162.59 45439273.67 9458309.112 9598896.606 Deepoxyuriolide 0.64 2330168.806 599.4114 56506983.57 40494922.78 669101.5172 2260193.483 4631939.069 43472754.78 8080955.612 13542521.05 3268210.42 5006549.344 8934427.366 3846620.186 4300564.011 2323079.372 9566763.451 7201874.624 2511979.419 3132027.179 5210618.282 6669961.958 1646999.176 3368518.245 23925725.32 10329323.83 25679075.63 36409027.25 22451727.59 18931657.56 3327543.13 34393633.11 8690448.01 7729384.071 3554371.495 4319344.647 13523412.44 9844912.927 20517786.14 38676555.65 23151238.85 13388093.87 6518778.928 22877801.86 28201065.66 25065440.61 8976146.243 9206365.814 4382674.463 23053805.78 561198.5498 3518460.75 3261693.427 5482237.705 3961980.552 Dehydro-beta-carotene 6.625 4591644.252 535.4316 1921811.923 1975070.056 2357495.485 2404630.306 21520653.57 1500373.581 19847356.34 3240224.351 9937220.15 3237580.716 22392896 9984429.999 12572534.16 9128522.32 10541546.46 12141723.14 1839361.245 9047662.867 2737338.988 1685407.387 2115316.792 1479940.601 1539791.346 11386457.26 5212632.099 9358395.219 2360933.187 3438441.151 16218170.51 4766052.672 5757189.169 3879670.463 16848918.98 20003364.08 2046739.414 7301191.421 2285240.532 1654550.169 1668827.507 1856348.302 5490368.075 1922604.575 13177713.9 14422515.85 4331077.854 4851728.576 9513528.378 14041402.22 3836203.602 40339293.93 13160189.87 48532441.3 9896745.979 Dethiobiotin Dethiobiotin 19.572 639897.8118 215.1394 843700.0588 1252029.93 2132663.48 625945.2773 647649.1894 1000581.513 684545.9333 1788088.88 1659894.89 18841814.48 618977.52 808297.7775 804034.6941 1049078.222 664404.69 635214.8921 1311827.474 1073551.062 1446652.156 1152215.462 1075668.006 881253.3093 950112.3953 754137.1405 1082105.911 883482.8022 835002.7086 743623.9036 782855.1661 789438.5663 1307716.062 1559693.228 718191.5813 945843.8354 1124176.321 1251352.095 1250634.735 1019366.8 692997.4036 1185839.575 1001324.938 1317964.43 1211933.286 666050.7449 1111615.181 1001583.373 1091701.134 948850.192 3949537.02 3323905.803 1382054.077 909923.9676 1566828.602 DG(14:0/0:0/20:3n9) 18.169 4976455.155 591.5002 6241577.382 7983435.766 20078255 12978412.48 5799529.534 12376617.7 7629655.583 18894798.68 8663762.999 31360177.45 3040084.079 11826879.05 17930652 19837737.29 6374925.937 7215932.99 7575651.638 10925530.97 12487742.79 12552808.63 19261231.65 9452927.558 13078907.98 7482786.015 13838481.71 9346374.884 12048246.68 13352350.77 9196758.499 5110924.65 14805086.72 18198563.46 15137638.69 5155941.194 10199156.85 11151988.63 14704107.16 11756492.36 16188116.52 6967644.519 7556799.523 12903672.44 13448419.97 10147523.59 20617045.37 18281945.42 45404128.75 4906203.296 29328690.13 13404310.15 7586844.836 11214076.01 17589884.11 DG(14:1(9Z)/20:5(5Z_8Z_11Z_14Z_17Z)/0:0) "DG 14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0" 1.306 293714458.9 585.453 265789767.1 274908143.7 268803551.8 293571687 286503055.2 260672401 272929574.4 212687886 252178174.3 120771986.7 249617978.2 261710310.3 307875853.2 247118894.1 224806837.8 240293419.3 237364981.2 276796210 298018838.6 325834491.7 168916639.2 257787915.3 297623643.8 291609056.3 231487213.6 312569385.2 295433819.3 275927550.6 271368391.8 235810416.5 271527147.5 243193929.1 290417575.4 244215513.7 205036884.3 275227188.9 317943739.2 336069381.4 248077357.3 234212727.6 314547980 313585109.7 320698989.8 314707065.9 321901835.3 327670553.3 293450907.8 311668461.3 98370818.3 337596634.9 262986150.3 361271002.4 304508081.5 DG(16:0/20:2(11Z_14Z)/0:0) "DG 16:0/20:2(11Z,14Z)/0:0" 3.048 6924025.605 621.5472 6311202.58 4866083.941 1843678.144 2243116.031 3570187.926 7084446.751 5145831.284 1519510.886 1493611.293 2464431.165 3320862.268 2272961.939 5040770.153 1765847.191 3900877.653 3768643.39 6807107.678 1610055.274 5415024.019 6751078.561 2324908.189 8027230.947 2310973.465 13053170.84 1429342.914 4745288.036 7406328.643 3186640.668 3680496.019 3842818.742 2384047.44 1573513.026 4096012.603 4355750.037 5914340.853 1592848.728 2830840.724 7911997.145 8262119.974 5563250.178 3700406.128 3925015.786 2161453.263 3506274.378 3362941.994 6991499.416 2731589.876 3686760.776 2681300.082 2878668.672 2534730.419 5552185.182 3453773.519 DG(18:3(9Z_12Z_15Z)/18:1(9Z)/0:0) "DG 18:3(9Z,12Z,15Z)/18:1(9Z)/0:0*" 2.934 10811413.44 617.5156 953524.6971 805809.5869 4916767.517 10463779.45 545407.2317 919858.5507 797202.1926 1286709.004 1251244.67 1665126.998 919702.81 814729.3348 678049.7081 972447.9262 493702.2887 476648.9597 6364762.394 784450.7 1256928.733 1629336.25 4870080.079 12108735.42 2577013.216 2695607.393 700279.4202 699535.6843 2696031.141 2537703.591 582418.3562 896805.1948 855765.4669 1033021.841 498061.2156 798045.1959 7403427.541 922855.3424 778420.1338 2963311.415 13217695.98 8358035.586 1784152.916 2326301.991 803821.9752 524676.7094 2364016.552 4499013.008 982346.7447 439750.2712 1824844.818 1127825.617 1392865.311 596188.5845 793988.2911 DG(18:4(6Z_9Z_12Z_15Z)/18:0/0:0) "DG 18:4(6Z,9Z,12Z,15Z)/18:0/0:0*" 2.02 523386.8935 617.5151 532640.101 878256.0824 828522.5542 652046.8176 2485941.303 856748.3223 5345355.29 1196577.826 1144183.076 2040951.819 2929398.076 2780932.748 3812668.707 2221875.625 2268959.699 2924130.079 915035.3588 3453356.938 796726.7106 750377.4867 1329796.138 990790.6522 605803.4907 548686.2158 3652254.329 5067316.715 570940.191 743861.4711 9730513.155 6716764.936 4893224.075 4502007.176 9594393.853 10114659.06 1067408.124 5901074.525 1016012.625 703350.2425 569270.97 1180415.697 716542.6635 806615.8383 5917413.938 6130390.625 721082.6567 820229.2434 1832333.081 5689122.414 2552588.392 7817008.882 3138781.808 11467955.67 3251548.46 DG(22:6(4Z_7Z_10Z_13Z_16Z_19Z)/14:0/0:0) "DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0*" 1.551 6631733.077 613.4845 2637102.935 2016504.044 4047510.193 6121755.933 8957570.785 2220275.323 9853267.011 4786046.241 6856989.852 2075969.843 8067846.833 7766089.708 9982697.846 6695679.443 7421518.914 6897092.37 4293541.771 8444870.319 1062548.885 2647347.384 2988702.077 7992435.692 4920519.52 1512074.73 8052660.442 11074445.22 4558546.601 4490383.703 15923374.22 8980728.921 10182297.32 8438298.832 16067153.56 15865503.04 2243489.351 10633509.01 2125348.658 4725553.652 3806790.895 2013946.663 1156753.864 2807168.519 13603765.65 11684066.24 2333777.488 1876820.439 6907406.763 13574400.33 4337379.747 15335599.01 7598446.377 18087355.6 6767415.261 DGDG(18:2(9Z_12Z)/18:2(9Z_12Z)) "DGDG 18:2(9Z,12Z)/18:2(9Z,12Z)*" 2.74 11759711.68 941.6186 9343132.304 7298797.381 8411814.417 11184469.71 11575992.1 6463628.068 5175100.778 1991241.094 9442807.73 3474886.096 9870415.574 2525265.858 1928062.496 1504907.688 13737576.97 8674302.515 4748435.304 3034357.079 8227572.776 7342367.23 2407780.081 5205580.984 12914145.67 8444256.064 8518649.9 9846639.519 18508760.02 10940223.87 10594264.81 7570458.145 6037571.118 5089858.373 9497432.692 11151864.64 5133899.429 7037970.549 5602132.344 8158875.761 7820081.067 4164495.96 7083817.309 3890894.65 9425578.302 8512008.371 9287702.825 9251570.55 12879842.31 8293823.755 2824030.903 8110336.986 11081001.44 8935447.555 13065372.17 DGDG(18:5(3Z_6Z_9Z_12Z_15Z)/18:4(6Z_9Z_12Z_15Z)) "DGDG 18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)" 1.351 34558837.73 931.5413 29719258.74 31196730.33 37039299.76 28448717.73 18895940.01 35032487.36 13780331.77 22168934.9 30992165.91 18945537.69 17868223.89 20590471.44 30341294.02 24313414.89 17747820.93 19157609.48 34031563.16 33159185.93 45047247.16 42463781.93 30905667.78 30356026.27 21148514.49 32431892.24 26431379.42 27807127.47 22073576.42 19888024.97 14618598.04 21676605.34 22121446.08 26388986.81 13286495.32 15112049.6 31581596.85 26991189.96 48482131.62 41425883.95 35324771.76 31218438.39 32749115.72 47316242.84 34370773.35 33070338.94 31010994.81 35289296.59 23967931.3 29769351.57 23108486.81 41870726.1 19838176.66 32939233.24 24774228.99 DGTS(16:0/18:3(6Z_9Z_12Z)) 1.398 316514910 734.5945 532228111.8 537272422 925738371.3 1234525649 783978691 647933769.2 752977823.5 408576770.5 586530319.9 217984614.1 854056491.8 531462187.1 818471976.5 504493122.6 700788299.1 705635211.5 1109111931 682717450.9 759978116.4 853966802 902007275.9 1123369380 672194472.2 846417556.1 487462740.2 687047218.1 548272455.5 527142445.1 538786225.5 523295938.2 253738980 430653288.2 545396369.8 607745264.5 1396457208 548338517.6 1057878205 1269792392 1073537529 1365899753 831029742.7 1119192326 623371479.8 637394847.9 806449406.6 965390271.1 550329742.5 702560342 108084647 751474044.1 502439906.4 1029515066 659124713.2 Di-(4E)-4-cycloocten-1-yl 3_6_9_12_15_18_21_24_27_30_33_36-dodecaoxaoctatriacontane-1_38-diylbiscarbamate 1.156 10745454.9 893.5578 8873127.448 54997868.4 44442069.83 14271144.67 6410627.849 53506891.03 18658526.63 140503118.6 46351595.5 67712064.1 11058933.27 8571323.044 1083155.526 57099375.29 19398763.58 4766201.583 12523968.55 5013838.683 29109940.13 11981476.03 2652767.957 5818106.252 1012293.045 6694640.86 43192356.27 18281569.53 25774708 965425.371 29702852.02 25729997.31 19748864.04 59754217.22 22345571.59 18824146.19 1201273.361 19736435.75 22408995.64 4183453.325 1534612.033 4324288.92 54784391.95 15122895.7 39196378 37047433.71 17615859.14 6201379.84 70606339.1 38045011.71 99233242.59 1374487.83 33718597.79 4674659.912 15566012.8 Diadinochrome 1.046 35498939.97 583.4163 31820235.57 29428769.11 22157464.67 34553145.38 38801923.63 30292125.55 61121487.93 41872725.08 30020116.53 18351294.7 40874948.81 49952135.47 54730167 59863605.76 36403222.39 34086937.89 15081785.66 52291832.76 35490541.04 48368245.64 11832198.48 19914082.61 28478785.54 53139236.49 39068033.3 50680538.54 29035703.98 25767078.15 35474387.73 48330354.85 48760663.77 50393699.96 45367431.57 54168015.85 3486490.844 44405077.83 31231197.43 36183662.5 4128791.222 6725225.875 38134442.04 34234268.8 45073908.29 54846883.54 45081601.57 38903652.68 45782199.21 52056317.61 16764500.53 73328872.48 40387098.95 99004465.37 51531231.5 Diethyl [(3R_5R)-5-({2-[2-(dimethylamino)ethyl]-1_3-dioxo-2_3-dihydro-1H-benzo[de]isoquinolin-5-yl}carbamoyl)-2-methyl-1_2-oxazolidin-3-yl]phosphonate 1.082 184906.1371 531.1989 1496235.555 1141509.531 1244245.075 1510397.178 3270343.852 1272171.842 16233.7001 144780.5584 2287808.812 930031.4183 3482386.285 22083.2262 20730.6235 28984.4882 3256488.212 3131573.42 386639.7449 25689.9433 1641378.728 1869879.88 179649.0352 395185.256 2815100.522 2471952.921 29606.3685 20329.5373 2506222.076 2768088.335 6448933.839 2614039.327 22892.1923 31463.1813 5304713.335 6402601.197 294852.3438 26113.3678 912983.4242 1299012.434 386139.4136 344612.1979 1444108.936 883907.0754 23553.3454 2120484.354 1788569.894 1547312.355 1903836.3 2233647.143 59626.302 31629.7347 1652971.397 21853.0666 2017361.651 diethyl {[5-(4-amino-2-oxo-3_4-dihydropyrimidin-1(2H)-yl)-2-methyl-1_2-oxazolidin-3-yl]methyl}phosphonate 1.453 22721874.48 349.1634 6710384.428 5789654.61 5337513.166 4657047.003 6423678.395 6196101.542 24034148.1 7244047.579 6469395.469 8972339.72 5049512.664 6209148.955 6585607.371 5958746.795 5600047.225 4894878.007 6322777.16 6605713.425 6447903.538 11733143.02 7095170.462 6901069.253 5915547.875 5835307.986 5729248.3 6050461.004 7090062.455 6228974.659 10401995.55 5881745.994 6105052.8 6476243.919 6266167.396 6977557.467 7342709.813 5985815.212 6599036.671 6626750.894 17032347.9 6066566.231 7394680.455 7046945.663 6934144.5 6153627.058 6598357.638 6373673.676 5609927.462 6351431.838 8640678.286 6367815.596 5724707.161 5853876.63 5805705.634 Difluoromalonyl fluoride 1.384 52630948.8 142.9762 31201582.2 25600043.6 38155987.92 48754132.73 31175053.77 27190495.31 49031.7719 110697.6899 22310883.93 8589719.655 36325433.79 69206.5323 66418.4411 90995.3652 35355398.3 34500963.25 30981160.91 81832.6892 35522462.92 39215143.29 25236817.27 38650718.29 24014256.53 42861786.81 89520.2656 64981.697 23960805.43 22736479.74 21288591.12 35501284.35 71240.5012 100563.4639 21604351.04 25609086.05 38167894.64 81408.0186 34408852.77 43493822.66 66532161.79 49919125.88 27132524.19 34120706.79 74470.3428 2412148.838 28842154.74 22886269.2 16960672.9 35054397.3 190642.8904 98778.4719 16551447.28 69353.3289 13056093.47 Diheptyl (2R_3S_4R)-4-hydroxy-5-oxotetrahydrofuran-2_3-diyl biscarbonate 0.282 19063039.98 419.2266 20266598.8 26824062.24 27489222.17 28562708.46 34033011.21 25429538.56 12858671.09 45310720.46 33730286.09 756436004.8 12945251.02 24488248.49 24005720.35 32074936.37 17444719.7 14785177.11 25003762.87 28801208.05 25841448.68 25845742.38 31682690.04 22813081.74 36484544.26 24603476.18 52459119.01 23498710.99 19263033.92 17614288.19 22258612.87 17543620.22 24399678.99 31791702.13 20489821.44 19299443.13 28314997.33 31197930.9 32863333.64 37698945.12 33358526.48 27962509.92 21911816.04 25914901.61 24520437.73 34035933.45 27042724.91 34302098.7 32219093.8 20979637.24 73948153.14 37782575.14 35827613.47 25642745.72 27317598 Dihydro-4-mercapto-3(2H)-furanone 7.897 47023.1093 117.0019 54822.8048 73969.6991 79613.6059 61153.451 60841.6282 63725.7056 53897987.25 14766122.56 94920.1454 155968.3988 47905.1168 25304166.35 40606967.65 22168990.57 51729.5583 171949.103 74001.4245 28109733.84 78850.4814 69864.7714 92529.4704 64816.5128 56208.9725 49619.4972 13965693.89 21384570.06 53729.9696 60115.8165 62249.2704 60437.8259 17664407.67 14421645.67 57350.7853 55700.3532 90846.5972 17312977.91 86464.6581 69089.9431 61639.7795 79155.0951 67946.6248 80210.1978 21575407.12 61194.4245 64942.9033 64331.2153 98872.6858 63453.4704 4363011.842 11709282.87 103103.4139 19912866.59 87676.2324 DIHYDROXYETHYL LAURAMINE OXIDE 0.656 5602613.239 290.2697 183975.2709 227754.2367 2743903.773 4315249.206 6711572.518 209727.7839 14253921.45 4949009.804 3882686.299 2172119.244 18261266.97 6688511.092 236915.9211 247030.8989 15575304.85 13717879.49 17055411.9 251721.0169 1914675.575 2319707.551 12662728.79 23006503.05 16509623.01 4357767.071 4982007.339 6230886.298 14186252.76 13478174.88 16339896.18 7062130.668 8526626.577 6940856.892 17790703.69 20509661.14 10027823.24 7297723.022 4398842.35 6743031.464 14377786.41 10553282.7 17724259.6 4940915.322 13841175.51 13825664.83 19975540.71 20681457.53 13301086.53 13807274.49 544775.623 3184407.766 13087572.73 4165750.474 14708192.12 Diisopropylethylamine 0.614 23162768.86 130.1594 25291285.82 21505017.82 16743385.14 21704079.61 19263036.89 22872255.78 22971169.38 13706604.74 14886268.3 16918656.29 18451039.07 16267541.75 20201317.62 14638744.9 18580244.22 17390202.36 19423499.58 19091571.55 19543279.66 23009751.5 17592756.58 24767773.06 22112611.68 26068266.04 17074079.63 18245582.97 19025202.97 19327479.23 14289596.08 16930043.99 19301472.31 19217513.33 14140079.49 14839525.7 20620507.34 19271566.03 15050733.91 20186282.76 28291952.72 20576540.47 18050939.99 19315912.81 20737370.36 19279547.2 19886911.32 21258660.7 15302653.25 17741044.26 19080147.93 11561381.92 16281628.61 10663592.11 15791243.35 Dimethyl [(3-oxo-3_4-dihydro-2-quinoxalinyl)(phenyl)methyl]phosphonate 1.113 1433199.74 343.0866 2476588.062 2161851.186 737179.219 1470554.347 924530.2408 2056710.697 14454.9716 31370.7513 623142.4734 99777.0167 1593387.138 19663.5645 18459.1666 25808.6543 1491998.898 1595396.492 1341490.515 22833.4511 1021250.89 918292.6819 480543.816 1677272.706 2753564.834 1142171.525 26362.3952 18102.0275 2694070.843 2882728.537 937351.0021 908401.8314 20573.816 27073.1587 957449.1612 1058736.303 4628112.231 23252.123 1376649.837 1826373.995 6448065.242 5388225.046 1173785.224 1501495.775 20972.6025 951585.523 1576334.958 1808288.769 633740.3442 995807.3243 53156.7907 28164.0609 637635.8654 19458.6235 890279.5867 Dimethyl(pentachlorophenyl)silane 8.319 33671.9277 304.8702 39989.8757 52083.3454 60378.976 42419.6709 45054.108 47198.3631 29917175.94 75020844.56 66881.2173 113507.3108 32761.7353 45590364.97 45134058.79 65192735.23 35736.3333 37559.7695 52938.9428 58497661.1 55833.8003 49226.501 68197.1997 45013.6486 40589.0731 35584.2378 60903967.21 45113589.78 39321.1156 43387.2785 45296.0316 44097.1004 49520933.63 66031704.69 41279.6993 39640.7784 70308.4168 59328200.67 60739.5608 48917.0041 44296.1477 55655.1572 47584.6862 58470.8567 48818792.26 45107.4106 46305.7216 52432.3765 71524.6291 45748.8448 148114222.1 74469484.9 73843.9745 49141824.66 83102.7858 Dinitropentamethylenetetramine 0.84 1646547.796 219.0832 3173042.666 3655757.263 1602216.935 1648593.642 2430697.105 3974384.347 25501944.6 31392964.16 1664045.362 1543714.93 14072317.72 29900487.74 32154392.08 28406498.5 15950135.51 13623528.35 2029570.246 31988898.71 1561356.825 1757113.588 1100386.088 1814575.728 1493395.757 1445415.146 22972145.51 24208558.06 1210121.579 1324823.444 7829546.843 21882676.53 16217354.99 18493626.44 7927498.91 9171461.564 1858385.989 17139359.4 1473918.164 1637769.505 1670196.354 1201453.301 1256435.928 1937032.315 5838336.196 4713148.551 1024429.58 882256.2424 1020978.974 4257076.889 1850974.621 8855880.148 1679981.5 8274748.743 1035138.392 D_L-2-amino-3(cis)_5-hexadienoic acid 3.089 2397718.492 128.0709 2322469.646 3216962.169 839678.1755 2448851.286 3024176.987 2690614.487 8735476.488 6797333.106 3732736.974 3952644.527 3641333.747 5443398.037 7970968.089 6485740.768 5453757.841 3719278.046 2492895.408 5005323.979 3926166.223 3519676.214 3601360.297 2888997.943 2832276.115 5488644.941 4685062.338 4670455.001 2514046.198 2703983.851 6250038.177 5262485.55 5186446.989 6276859.642 7584295.904 6818832.809 3434843.38 2787716.969 3105790.47 2720840.713 2025193.186 3245540.254 2214168.793 1599916.762 14244747.34 7346536.384 2717255.32 2312892.852 4517232.422 4796472.376 6939990.727 11886970.48 4396905.412 15872809.1 4048238.961 DL-Arginine Arginine 0.804 58206552.84 175.1193 192016360.1 140264260.7 35440117.95 53628634.48 103591489 168084189.8 1683442948 880732503.7 56229334.56 9616240.516 671403376.2 1405891942 1501613381 878337684.6 804516690.9 717174644.8 36501819.5 1169283460 55868239.67 52844905.94 28530413.03 59428686.2 63485226.55 43809753.79 826483895.2 947810743.7 63911971.78 56812887.94 331641226.1 1120846689 438086191.1 519636027.7 365908416.3 424599826 14258728.37 611630602.4 34490821.81 67673406.3 27308811.24 14043689.61 7436790.259 49285893.62 208140127 209144648.5 7480285.632 10264180.9 24194444.05 194591950.4 28444018.65 278197838.2 22921261.43 287608325.3 39087104.32 DL-Glutamine Glutamine 1.565 25458323.76 130.0501 30439004.49 20148365.13 14812951.51 19793387.16 20055189.81 20649736.19 104633368.1 36043935.75 18809302.54 11940843.22 203589201.7 51715154.02 62088766.94 43136845.97 153699937.1 151473958.8 19418921.1 45926060.82 30662622.92 30975865.47 10934319.26 24048226.35 14230379.66 46465193.09 30355601.08 55117310.23 12599792.14 12397857.71 70577056.43 47139119.66 34033170.97 29247348.11 78056197.52 88951336.14 12391166.88 31304869.09 16123273.97 18061608.75 21678226.22 13473374.65 9070190.193 16936437.1 25878151.71 31309668.77 11823499.21 7005602.315 12296874.58 27057973.49 17332528.04 43503758.12 11608533.43 74531774.55 6182756.718 DL-Homoserine Homoserine 1.452 25170103.35 120.0658 34777805.53 25764596.05 12779513.09 22699792.98 25277296.69 30652711.62 83384085.23 32565953.45 21191473.16 17864634.71 45444241.75 45475231.3 61365918.01 38695515.78 34111229.72 34113219.49 15885747.29 48624555.38 29522064.11 33077540.37 13863075.96 20304430.13 27608098.26 48615661.57 32000835.21 45821206.31 26302531.31 20856261.18 32848971.88 42151753.36 39365677.05 31020516.16 33321090.46 37931607.28 13891352.46 34404878.09 11379122.07 19220629.18 23490568.42 16641492.85 11763115.05 19422881.47 26229045.08 24528204.82 15797429.47 12411936.24 13257971.86 24704621.67 39967735.71 32275164.61 14344523.64 45433187.63 15778126.05 DL-Stachydrine Stachydrine 7.729 61960316.81 144.1023 58082189.71 107370740.1 80597063.06 53820178.56 65110971.7 66882099.02 48861650.89 102144117.9 101290132.2 158139847.2 47686914.49 41043386.8 67688788.23 24552612.32 53040397.67 54516918.24 73335927.46 82976018.04 78568207.99 66622871.46 92962442.81 70607423.88 60230118.64 53253059.19 89445297.4 67650904.52 56546553.58 68506120.88 64024677.41 54843219.04 70833910.94 99596808.75 58584114.97 55086797.78 108246208.9 84033843.36 86737089.2 66389417.1 74247830.96 86601835.77 45759859.15 82371765.83 76944810.85 62065470.2 68678094.46 64701468.4 483225047.6 70822005.01 201454288.5 141632012.5 140090882.5 71549378.96 87165232.99 D-(+)-Proline D-Proline 1.393 137678550.3 116.0708 187952177.8 136560107.6 71340556.73 123361693.1 393377043.1 145201742.8 1154683369 407975983.1 214345840.9 111394997.4 1101619365 636997865.9 935160997.3 572887828.4 918077653.9 904803000.4 57986101.92 681422313.2 146078974.4 174743271.5 49119251.49 86278190.83 100596556 252464751 545009377 815081978.8 99067524.86 92681937.93 650409850.5 753889592.8 710276054.9 537310134 637024677.3 722536646.6 48654333.44 597371655.5 85006793.33 122362760 99372918.32 52590866.26 31630229.04 96574306.84 749846879.3 731678073.2 33106484.05 40571539.11 34954944.2 707206697.9 238579163.4 1260814579 29980534.75 1993321353 34814467.99 D-(+)-Pyroglutamic Acid 5-Oxo-D-proline 1.565 25458323.76 130.0502 30439004.49 20148365.13 14812951.51 19793387.16 20055189.81 20649736.19 104633368.1 36043935.75 18809302.54 12738861.73 203589201.7 51715154.02 62088766.94 43136845.97 153699937.1 151473958.8 19418921.1 45926060.82 30662622.92 30975865.47 10934319.26 24048226.35 14230379.66 46465193.09 30355601.08 55117310.23 12599792.14 12397857.71 70577056.43 47139119.66 34033170.97 29247348.11 78056197.52 88951336.14 12391166.88 31304869.09 16123273.97 18061608.75 21678226.22 13473374.65 9070190.193 16936437.1 25878151.71 31309668.77 11823499.21 7005602.315 12296874.58 27057973.49 18652529.49 43503758.12 11608533.43 74531774.55 6182756.718 D-(+)-Tryptophan D-Tryptophan 1.217 163497251.9 188.071 100024643.6 85990453.88 98935439.73 157485303.1 47709089.44 83220641.97 135805498.9 58503381.5 24248065.29 8233161.73 30879620.29 100799586.1 147911846.6 90955406.82 24976876.19 23007975.93 121530441.5 139566384.7 83730797.06 88468258.45 79344963.01 145280569.3 28474024.59 112785127 63008380.08 86118086.75 34549334.31 31065015.23 21803698.07 69025397.27 68941947.93 59585817.72 27204555.31 25354051.31 93447462.68 58267543.3 43335588.52 60819632.69 170912782.4 118606228 9046639.492 47351032.74 19483049.02 16442722.42 11087301.13 11057205.13 6377394.238 13391001.42 1281024.273 18593854.98 4713646.458 28267545.8 6280548.706 (E)-1-(3-Chlorophenyl)-N-methylmethanimine 1.097 181282540.1 154.0421 318026741.3 252381899.1 115001492.5 184744364 276367223.9 271694472 241486606.2 100270506 140813104.9 58722643.24 200916890.8 160800378.1 304261764.2 187270207.1 167573377.1 168195637.2 231270736.1 243888024.8 301016664.2 353749734.5 151629329.3 300014704 314675839.6 441218520.8 177341616.4 257577298.1 284329481.3 277503319.1 192293031 217635775.2 294434352.4 217220464.5 200124410.2 219059757.8 191905786.4 270818941.2 234711946.7 329699609.6 277203420.7 229340701.9 446433234.1 262639694.3 185024401.5 170160903.2 454229527.3 487139806.2 230728024.2 174532001.5 43971555.52 295671264.1 207329773 395154362.6 261002883.3 (E)-1-(Di-4-morpholinylphosphoryl)-N-hydroxy-1-(4-morpholinyl)methanimine 0.688 45663820.65 349.1634 56373694.04 54496818.84 42706177.45 53200895.41 53387766.63 48803132.95 48431862.14 60048821.2 48470144.5 37247123.06 46376046.92 52834967.59 60791799.06 58687409.66 44012637.38 50745700.7 54841402.22 63981001.99 47413858.59 44535099.06 50260476.76 65961564.44 59272170.08 30438292.44 64956800.44 61687695.79 54728602.94 49543982.8 49592958.2 60910876.22 49624737.92 56839082.3 56443103.59 51571083.21 67957088.4 52352232.5 57192197.71 61015171.42 67770582.24 74741236.86 43923349.62 55464475.58 76242884.32 63665744.94 48755523.38 58823984.03 46627460.27 57617320.35 27912951.51 48420094.96 41175229.42 47841321.88 43296910.14 Edulitine 1.316 786020.4802 204.0672 583051.1044 348919.0212 371173.0545 747932.227 422865.3677 450624.5194 13565.64 29314.3511 269941.9321 43159.2598 628584.7523 19066.7194 18540.3033 24673.543 532532.5917 469177.8193 382119.3489 22336.0545 1233773.83 1470251.042 171523.3774 514885.4643 315112.452 1745101.378 24073.9242 18321.8672 247801.9114 195942.7535 392574.4775 4841119.218 19716.6315 27436.1731 711858.0319 713808.8801 332474.4347 22953.3388 545322.3155 1195366.336 690534.336 643208.1985 357216.3372 141811.8083 20368.5814 3715609.385 368537.9397 55093.8894 435306.0471 3400965.616 52066.8784 27291.9899 432866.0492 19554.4675 487847.5327 Erucamide 13Z-Docosenamide 1.283 83409455.43 338.3426 42482030.58 51669520.08 91293363.37 81789750.42 61813730.8 51056526.05 57016873.35 71206440.33 63650667.74 84957368.01 44007101.91 66298388.47 37776365.59 43149837.9 46245150.22 50161750.69 44919206.64 46355558.23 88372449.21 84264820.77 42967591.46 45793886.93 69632296.59 72967911.29 54724232.57 59203274.89 66349740.16 63298268.68 35269369.1 41699522.22 61534409.65 69744055.72 39997831.45 38155543.8 46315874.3 62555920.71 150156883.3 173272512.1 46449973.49 56111080.48 123834836.5 151284243.8 82581012.52 86696976.59 130853887.2 133168607.3 70678035.92 79013038.15 76416083.16 68861979.46 55046026.03 57748215.05 56799399.58 Erucic acid cis-Erucic acid 19.479 390924.5088 339.3269 571442.1627 2788138.666 724549.2489 2316242.265 2148954.167 574364.2354 472889.4507 795197.8361 647150.0903 962042.5599 411581.7362 500009.7093 895331.4414 1966526.021 1207978.978 478864.6569 790253.6725 860135.535 1177317.709 1807866.747 4691255.006 470177.1591 261635.1374 482202.7927 674289.1388 2755190.819 2350463.424 605437.2097 626647.6722 3093866.709 748757.2116 731163.0255 3002729.31 320482.1763 793794.9978 3552298.185 3714780.793 666975.2337 474861.0972 712681.897 673094.7666 3348642.766 646043.1578 484758.2901 819203.6413 2967154.101 853806.5261 525349.7241 1494772.473 1032185.726 4133680.638 698676.233 4711835.429 Ethanesulfonyl fluoride 1.31 18793.097 110.9925 22611.4528 30104.1272 31778.3334 23692.5143 24911.4052 27887.6247 752296.4575 481554.7836 39062.9919 63678.9238 19058.9342 567593.7515 1726626.34 1389389.195 20118.8604 20762.6273 28838.2145 1631334.068 31667.5125 27872.3078 38280.7681 26083.6145 22686.4455 20824.1818 901554.7189 1255028.524 21807.8582 24083.8597 23876.6337 22333.3411 974843.4039 802374.5648 23120.1844 22371.3774 36046.7199 942718.6687 34442.5544 27368.5396 24303.2936 32419.0471 27741.6953 32778.4816 1226763.502 24424.9373 26366.7468 29964.7941 40772.4482 24613.2674 86593.1005 488964.3806 41121.3979 659821.204 34873.0151 Ethionamide sulphoxide 1.574 7296726.942 181.0435 6089090.079 6427326.998 6833008.355 6879680.515 6310220.471 6334338.989 27905.7075 63174.0587 7255447.622 10426836.43 7025948.524 40424.5536 37284.8872 51129.4343 6774659.769 7068825.038 6962653.467 46721.2959 8311649.358 6421743.034 8193504.478 7796922.586 6434771.856 6610889.361 49162.2145 37031.947 7019071.662 7082976.533 6679688.407 4259383.662 40908.0327 57390.5578 6141821.629 6354165.678 28690414.78 47426.5228 8036521.878 7855495.547 41951820.16 34174500.9 10553347.81 8615854.194 40796.3615 10553242.46 8502394.603 8587380.713 13034561.31 7433530.338 107408.0553 57554.3965 13265724.81 37959.1668 10359043.92 ethyl 2-(thian-4-yl)acetate 1.143 577330.4679 187.0791 92715.4068 88585.8832 321216.7076 496955.1687 311706.8577 133896.7512 19275.227 41831.8603 322436.1551 53852.6532 329288.9509 26220.7135 24958.88 34714.5593 312229.7703 19166.3872 217086.979 29956.7561 138253.6954 196066.8522 87861.0379 334549.346 179853.8118 182239.9901 33747.128 24540.4625 257212.2976 163269.4931 300525.2508 246626.0169 27434.5039 36101.1626 306496.8351 122919.2603 178589.6846 31005.9377 68544.037 144238.8027 204342.0517 97810.4584 131768.9538 101878.1978 27966.2725 50326.4771 164905.5015 116684.8844 211675.6229 145248.6005 70882.8239 39021.5207 211763.4748 26251.6887 211047.1678 Ethyl 3_3-diiodoacrylate 0.677 531010.5991 350.8398 622116.2551 489980.5681 342820.693 535299.1022 487140.8674 512490.19 21997.9 47835.8259 307394.685 117377.3747 492986.4999 31497.2886 28780.5187 38710.1672 532741.0731 460358.4333 587349.2342 35958.5858 404258.2835 469269.8232 434736.0717 679164.779 581127.2101 553135.7165 37741.1135 28492.7137 594842.7249 574271.5946 540678.1889 618620.2428 31907.6667 42886.9689 545823.0827 594659.7944 690168.4294 35759.3466 456446.9289 649093.1311 857904.1822 726303.5339 471890.2136 516204.064 31824.5125 683467.818 541563.6068 543394.8647 230856.1484 652956.968 84157.9284 44188.7986 238419.0594 30249.2982 295942.6783 ethyl (3_3-dimethylbut-1-yn-1-yl)(1-hydroxy-1-phenylethyl)phosphinate 1.201 22989433.24 293.1306 18327157.14 12843013.54 13475441.78 20722405.47 17711109.8 17195450.66 16054.9776 35510.625 12598796.76 5436769.632 21267523.5 22661.007 21229.8579 29695.8257 18891525.88 17976968.45 17896447.73 25935.0496 22714501.78 32312999.69 10824983.57 23142881.08 22906666.33 39936467.8 28705.0834 20873.9548 19951862.41 18482284.69 17685562.58 19067480.77 23223.3257 31402.7186 14216913.13 22128478.03 13646837.18 26339.8393 18886358.3 22505272.55 21205177.4 14893783 28367282.07 19250261.59 24355.9073 17638380.5 32070727.77 30587554.11 22494448.56 20249417.11 62675.7316 33191.4469 23698891.66 22509.7578 26809455.21 Ethyl 3-(diaminophosphoryl)-4_6-dimethyl-2-oxo-1_2_3_4-tetrahydro-5-pyrimidinecarboxylate 0.74 50080885.36 277.1055 76793399.23 72205631.79 64806376.98 52908445.57 72938172.81 73630094.38 76366027.21 81388279.16 72990193.28 57665363.43 66161295.91 82578188.29 87635885.95 83657383.31 71687212.68 48914973.03 80866664.88 89901000.45 68203544.98 66976450.77 89297413.21 106392863.9 82625352.99 72146996.03 99833989.61 63173139.53 52537529.75 72164704.75 80498313.88 75475082.38 76420661.49 78700351.42 50297496.48 11542275.47 101099906.8 76967420.36 81567834.13 96572675.19 114268132 114661251.3 70895867.37 92751444.15 101281576.1 90246489.75 52591588.08 75240238.86 64527165.76 85703775.51 36634472.3 72397104.76 64191604.78 40941343.15 62789655.31 Ethyl 4-fluoro-3-nitrobenzoate 12.981 475829.8166 214.0518 365572.4596 126580.8532 144548.2598 325447.8673 116843.3566 249321.3362 537907.5176 176690.7787 169334.3031 263333.3487 298392.5155 183993.7669 506329.2468 159015.7809 154703.9363 166813.0171 438860.7755 300979.9497 136616.241 108867.7465 149830.355 809465.5295 94642.4493 179481.6897 210394.385 649840.8254 89678.0059 103770.9753 101491.2822 773487.7576 137012.3359 162467.8328 233259.8129 167634.2338 1182870.389 145940.9144 135121.09 108935.6607 2582011.728 1753993.859 127284.5791 149226.6838 140368.7443 104870.2552 121723.7908 119810.3605 172252.9923 145194.6932 374501.4063 171795.2071 177479.3101 115496.367 145557.0889 Ethyl chlorodifluoroacetate 6.037 67724692.16 156.9871 2854263.296 1806925.783 42106499.42 63801602.94 58797898.43 1802906.908 100616.0617 228855.3563 42438687.2 14171202.04 42996714.29 143843.824 136209.3402 190023.4797 40461373.03 26757999.08 27335682.94 169475.3689 3554965.705 22185360.48 23033664.36 16871315.38 51173414.48 20049162.48 183347.8674 135860.2753 49317288.38 16790358.68 56491583.17 1713171.13 148863.8911 209198.2419 55175460.52 60701056 16547614.25 172355.7742 4998783.251 27855786 14339038.93 628452.1138 18778160.06 23294905.76 150713.731 6303494.488 20269298.57 22916312.06 19454943.93 2166152.171 399340.2492 207394.7693 18814430.62 142856.8227 977488.8863 Ethyl hydrogen [(1s_4s)-dispiro[cyclohexane-1_3′-[1_2_4]trioxolane-5′_2″-tricyclo[3.3.1.1~3_7~]decan]-4-ylmethyl]phosphonate 1.014 34647092.26 409.1765 46614192.33 36414987.84 28467518.3 33542205.04 104432287.3 36641697.11 52915309.98 44569306.08 68788725.65 31519197.13 27548385.4 55678363.98 68971754.55 55150432.48 26464018.07 25386806.43 27728817.58 66938170.19 33198074.7 39480954.23 20178496.58 30542684.88 44902759.2 47493242.56 17030081.75 20142793.03 50319284.57 49596775.25 17528620.97 14664116.11 29693087.4 26460024.21 20715151.57 23354496.35 33052865.46 28400866.18 30566891.38 35171217.74 35614384.53 35529527.15 56640904.32 30645083.41 43988934.77 36257515.35 60837447.11 59419418.79 25811721.57 33873499.97 7978735.732 40192516.08 26891163.34 48656726.64 28758339.25 Ethyl P-(5-amino-1H-1_2_4-triazol-1-yl)-N_N-dimethylphosphonamidate 1.268 808518.068 218.0809 381591.5524 302470.2462 281669.8576 692758.974 142322.2628 343207.7646 14748.8907 33096.8043 46396.6125 40014.6131 209481.8255 20817.5136 19203.6048 26322.9527 136939.9416 116982.2667 427770.6415 23829.2046 168850.9211 360779.0432 93336.6615 805925.3579 298316.6002 623016.4164 26418.8151 18994.4008 242274.3518 199659.1528 117066.5325 984047.8688 21034.6749 28848.0791 170178.7742 144746.7067 415896.6824 24487.7539 139009.8623 276014.2163 884783.5555 565115.2915 151687.1931 165379.3537 21730.2073 247519.474 205377.2225 234244.0355 74479.7304 255060.0193 57577.0043 29116.4409 51562.9115 20861.6704 112057.559 Farnesylfarnesylacetone 2.102 6548880.421 467.4262 5504039.866 3541095.815 1801061.665 6129008.213 9582237.126 4110058.483 3985164.905 664893.5891 4999573.562 1415124.614 6833816.895 2313540.701 5115420.845 2389732.644 6311616.959 6455581.743 3288816.383 3926774.957 4578941.218 5907995.863 2270565.111 5217972.703 8344203.663 5495533.482 1584097.985 3001603.5 7195847.345 6769371.025 5609631.465 2487528.44 933657.6282 606454.7553 3742390.501 6448990.552 4184576.291 833900.3493 4404880.038 6941688.03 9756934.542 6520119.759 5882131.935 5644753.444 2116902.687 2640048.335 8725659.3 11761068.37 4978973.302 2250478.919 1744224.851 2218188.327 5108414.314 4777513.851 4980369.75 Fumaric acid Fumaric acid 6.009 67433.8001 115.0035 81283.9609 107072.0113 113683.3041 86181.2313 89415.8069 95454.2814 6353703.853 4433089.464 135748.1669 219947.5637 65691.4496 3662130.323 5637944.873 3601058.434 71185.7137 75719.1256 102897.8595 3499234.769 115106.6554 97772.6733 142240.9719 93504.2876 80901.9983 72422.4004 2060589.809 2430500.568 78400.2807 88319.1872 88986.146 85964.7319 2717878.761 3479956.01 82070.2116 77649.9058 131068.8005 3147084.797 124617.6203 99017.5984 87977.5538 112184.1371 96042.7245 116147.6009 3800696.781 87418.2664 92853.2188 108190.7732 145797.8071 90788.6816 4847928.341 6244387.114 144717.0567 8544988.394 123951.9756 gamma-Aminobutyryllysine gamma-Aminobutyryl-lysine 0.623 11682854.72 232.1661 2021232.253 1888777.132 7081409.738 11566123.48 21192299.87 1843853.055 8078121.43 3165357.302 13901199.06 11613343.71 29999469.26 4470285.562 6257903.151 4587022.774 26609149.68 27784888.71 1857903.751 4812661.139 2343180.073 3105293.079 1497828.787 2567212.486 3043418.498 3297667.93 3989167.148 4139403.474 2412239.338 2562397.212 10988421.47 4502848.068 4380005.375 4065102.302 11150648.07 11840181.9 629455.0258 5332015.542 356927.0566 316416.2361 918419.3623 393504.2543 1832422.346 363262.1177 2133966.304 2029578.728 1649453.692 1786643.713 3790369.105 1550534.345 866960.6511 3179267.462 3578827.069 3491775.854 3897702.123 Glufosinate Phosphinothricin 0.789 3496877.616 182.0582 5973173.321 5145912.026 6224724.24 3515272.226 5759049.441 4061700.23 1921162.214 9073792.655 5774472.309 5324622.3 3885052.718 7900134.238 3918200.386 6804143.477 3333829.889 3915273.741 7136209.45 6701105.188 4306061.543 4780086.43 7047486.046 4902479.654 7579811.47 5069987.143 8612816.724 8220529.665 4094418.49 4385859.369 5179192.911 5087703.8 6006380.712 7614286.817 4238885.838 4389324.575 9321116.896 5602353.458 8831785.067 8094988.826 4073777.128 7147966.796 4757321.577 5869966.744 6937576.357 5314346.255 4263401.019 5837981.269 6662468.764 3922485.929 6412089.439 8296944.573 5992950.782 4269433.324 4434546.366 glu-met-arg Glu-Met-Arg 0.698 8233545.265 435.2006 6949620.713 8568996.729 5563045.883 8712598.137 6729765.407 6520381.624 9245536.68 6118392.071 5377450.778 4541628.092 9087850.709 7724365.678 9145116.095 6637957.074 6869657.406 6961088.97 7855019.171 7646516.633 4940890.105 6665581.987 7226945.56 10069364.79 9083644.093 8439662.775 8544712.894 9094875.098 8078365.546 8166843.654 5690686.856 7150253.442 6769104.612 8504695.445 8450730.306 8350596.724 9691995.27 5175204.567 5906119.693 8731236.975 10385569.81 8729345.395 8289915.688 8491602.098 10261083.8 9632026.361 8044560.75 8971978.799 4699949.998 9479533.836 2080708.48 6004824.704 4238521.134 4641979.317 5385269.403 Glutaminylhydroxyproline 17.631 503314.356 258.11 407166.7431 642708.1194 776098.4953 628567.6878 543812.3479 561184.1207 61249.9512 127781.2905 708753.8219 1647521.563 490874.191 85171.2284 79184.5152 111802.0301 402326.8567 319647.9644 752017.3115 99888.5027 682515.5755 1075098.388 1225480.042 383296.9666 554169.9963 438003.8747 114643.286 79611.8987 832348.5539 602176.5546 592927.641 452852.2404 87409.4135 125306.2722 472842.8502 502683.7184 685175.3633 97229.5863 720644.3563 550946.6573 484735.0194 514741.2643 604623.6672 600721.0026 217866.8488 476556.1424 679741.8564 517026.2402 780990.3166 590235.1182 241348.6953 121047.2416 1336585.741 84255.7894 712178.0084 Glycerophosphocholine sn-Glycero-3-phosphocholine 3.731 24301870.8 258.1107 33293584.58 18753633.31 5416089.647 21606044.63 28662309.89 20969466.57 60383095.25 11089060.83 11718027.53 2176316.273 23437879.98 22720131.19 29943701.83 16492737.58 15350282.81 13327870.97 10571312.13 15536494.75 23768090.21 29665797.83 6342945.862 19547571.22 24243079.58 51049287.11 16402762.02 28486305 22471655.91 17788969.21 16995876.2 26988973.94 20540385.39 15599527.14 16609941.45 19081697.95 5331156.831 19228416.69 3043614.948 15933077.5 14845273.29 7426439.441 13323155.41 9967271.668 12421009.07 13239653.79 15661913.34 16039982.43 9560352.986 11277950.77 3406115.257 11010552.6 8466649.652 25783079.67 9833900.366 Glycylproline Gly-Pro 1.009 1129423.067 173.0924 640054.9942 682957.4184 1278516.518 712325.9435 655372.2183 1029247.388 2539001.73 940521.8433 585612.0458 975907.694 1587081.011 1701656.623 2329808.769 2928316.801 1298519.915 3993172.713 762793.7091 1183193.56 1374971.379 994326.9238 632084.884 876186.2547 649624.53 698726.4736 887666.8069 1013327.291 1760535.232 651162.1138 1676611.011 2231078.072 3190971.089 733003.1853 1287437.674 901228.4587 729575.7408 998669.6435 748503.0546 621010.1254 2907844.175 701235.9247 742451.2163 652941.6756 1046770.835 1059460.031 679687.907 694670.1377 1130994.637 860070.284 1509795.397 1063308.688 847976.6475 1588130.184 851232.0288 Guanine Guanine 2.02 31107144.61 152.057 8406179.937 9806076.354 17518386.89 26825322.87 12394199.34 8763260.484 32631443.78 20903047.64 9475081.783 16253872.25 72976626.65 22224454.51 8993204.932 13682104.27 56852794.74 59245781.37 14823360.14 9592927.449 8225042.913 6872751.007 16481107.32 17023557.07 5637163.401 5096906.503 9677113.386 8803947.025 7229166.01 7510178.081 21426770.51 9673348.652 7899688.79 17982626.03 22177006.05 24891594.74 11476970.99 10180596.75 8935760.67 11321487.97 12974840.87 10582283.16 15277475.13 12305749.78 10433298.56 10339757.92 9276326.147 7313807.163 16789573.91 9641947.125 18977789.48 20649581.51 15749202.63 9311351.973 11510654.62 Hexadecanamide Palmitamide 0.882 159584.2766 256.2641 3038295.754 4013796.291 3270241.981 1260281.85 378592.9782 4204387.344 3140094.846 340510.5435 717777.0699 5451430.195 189113.17 2818363.691 1952662.337 11618105.68 12011323.52 14713844.81 10686174.04 3490653.815 424619.764 5367518.53 12116428.56 364195.7702 7178308.604 4928969.129 332166.118 644070.6134 248479.8398 7929710.821 277350.8834 159098.7191 5218399.969 7369436.841 3572371.107 4546479.876 6401013.326 6511294.742 3772801.177 287704.4261 5807062.427 5638543.412 14292458.82 2889620.248 20009388.84 20449714.22 18838632.38 18505427.35 910644.9175 21369056.62 5463126.051 536968.5036 863269.769 2948868.489 3069134.457 HMBOA trihexose 0.62 5388923.574 174.1492 7874614.74 5521589.654 2528987.649 5071209.868 7178588.296 6092811.297 10588201.24 5040281.336 5440077.604 2387967.322 5286102.099 6464005.181 6833333.674 5099503.723 4788341.463 4777028.808 2428714.143 4433231.269 5355663.215 6183708.758 1737422.995 3521051.651 7250074.702 7996526.662 1464069.516 2356626.035 7019006.723 6561943.505 2961871.375 2151065.362 5878391.769 4025675.221 2718675.556 2761721.789 3883216.464 5052417.491 3756364.983 5675938.635 5414673.707 4049947.087 7188132.905 4741969.574 3664736.853 3594883.182 8060455.283 9428337.902 3967836.632 3296515.251 746238.072 4086501.028 3086659.161 6717932.831 3535638.99 Homocitrulline Homocitrulline 1.343 13016720.11 190.1189 16316580.99 10492165.46 5132754.634 12019666.36 8921289.083 12831846.69 128323345.6 38694705.14 3763822.086 1181620.794 34009194.44 60353274.72 120095395.1 70424660.25 26627419.59 27304146.84 5286308.304 88463248.99 8282702.571 9011246.194 3906734.418 9209347.873 5453124.361 19501246.19 41615259.4 69546789.33 5133273.977 4978016.184 18708636.27 59197687.8 53415422.29 39676581.59 18733110.34 20221304.16 3213112.234 44237131.94 3370388.858 5826147.952 10211302.94 4260712.098 2210553.46 3962321.124 22730830.48 24049851.91 2834843.824 3684821.055 3435151.003 22884199.37 1607490.216 20390539.17 3461462.272 37601423.81 5103263.771 Hydrazine_ (2_2_3_3-tetrafluoropropyl)- 1.576 1818593.694 145.0391 2038554.02 1306160.516 780725.2656 1567333.079 1557440.043 1679282.372 40808.7308 92384.4396 731245.9491 349351.8223 17609357.32 59116.0329 54524.6495 75589.1746 14324184.88 13869614.81 1213710.833 68324.259 1780231.683 2137917.461 877924.9555 1779448.363 849975.616 3520090.193 74710.4983 54154.7551 861755.5754 778545.4784 6268982.402 3580338.176 59823.0627 83926.7673 6105285.197 7671674.915 758207.0239 69355.5681 761002.98 1261452.429 1464837.147 1036332.267 523931.0075 991596.0951 62150.3565 2041179.467 487090.6936 537682.2379 416574.7637 1932609.407 157071.3233 84166.3616 539253.297 57083.6669 602202.7988 Ibafloxacin 2.378 671456.505 276.1018 353941.6973 428653.4432 584378.1949 605081.3175 377298.0184 540526.0926 5455461.918 951580.5217 729391.1404 1201502.258 297821.4241 2501210.336 5502260.128 2873098.403 328362.4371 432329.2554 512873.1149 4278989.738 739897.4751 1526611.618 590659.2218 485785.0865 395193.933 2995656.075 605773.457 486139.8868 487594.2015 535773.9123 454412.6152 433395.8395 627304.7969 773918.3488 567422.7081 391999.6686 738868.0541 571598.5309 515332.2058 444466.7829 368170.1997 702858.374 448308.18 503578.7905 503450.5951 419105.4981 388598.4794 418921.7625 932766.1373 409434.2357 1572625.776 6372405.88 756285.5988 13496507.37 646104.6159 Indole Indole 11.097 103766.1799 118.0655 99496.2934 103743.9555 150881.8695 138319.4468 484111.17 110476.1102 123944.2181 147991.7734 1029702.069 350563.9173 65578.1129 105535.6224 119244.5745 225127.7203 79146.0904 144198.0219 138195.4126 208403.5755 165106.8202 92636.576 189696.5619 136170.8813 100495.798 114945.4492 190576.4429 155505.5362 484291.8022 114153.9231 125296.2625 96431.1764 161961.3166 155885.3995 209764.6327 111502.7814 167735.6888 278198.6708 338405.3379 167334.0017 119709.9051 164873.346 321319.1192 226560.714 155472.0652 98150.9973 109530.6498 158094.0058 291728.4381 226595.9762 384133.5861 251993.1533 162031.1146 141613.6456 222110.1608 Indole-5_6-quinone "Indole-5,6-quinone" 9.561 24411.0289 146.0243 28495.5511 37131.9308 41412.0339 29761.5431 32014.4813 34108.3098 188228620.7 80439074.33 49088.6705 81220.7609 23439.7783 124558546.5 146828408.5 90401645.7 26542.8777 26551.2527 38592.2458 112149432.8 40359.303 33491.2453 47913.1094 33031.097 29174.0996 26164.6492 95605629.51 132694217.4 27787.4497 30489.6629 31303.419 29259.5877 87923407.99 73251502.2 29275.0613 27719.6981 44558.9496 88321907.03 44010.0772 34804.0755 30949.2968 40694.3551 34119.0617 41101.5307 1704162.987 30884.2809 33234.0244 33737.172 51667.7643 31544.7137 18539765.6 53622640.39 51797.4195 93740267.36 44312.6455 ioxabicyclo[10.2.1]pentadec-1(14)-ene-3_7-dione" 1.171 3009162.827 722.487 4525507.018 6876080.369 6421866.478 3548127.629 5164082.803 5976914.435 26051.1515 56537.2396 4736626.055 3275890.506 2645214.238 36006.8087 33732.8096 47184.6603 3718972.25 3894818.81 5670849.605 41209.0412 9303089.327 5262174.488 2526283.96 2923978.999 4486085.034 4166515.157 45610.4378 33167.3036 4244555.984 5742765.809 5278868.006 4285552.393 37078.7029 49896.7977 4274323.368 3407221.358 4892501.304 41905.6221 6420583.921 5010282.416 3820092.788 5691551.99 4899931.305 4318978.379 38699.8908 6251328.439 7297419.91 4030037.474 2804689.958 2447990.858 99587.5021 52738.9662 5958520.224 35766.484 4164568.605 Isoelemicin 16.806 136180.3273 209.1174 131381.1692 327699.478 276720.8357 1223886.745 244912.9384 251140.9591 162624.7565 383971.4481 515622.3338 617798.1966 159222.126 328061.3798 309071.5135 336973.1349 429677.1518 228887.4636 508205.1268 431158.8877 1024857.349 288795.0178 241347.3631 177282.1353 161409.8812 234684.2148 251119.5625 258809.7145 186784.879 213076.4365 306321.977 275709.5911 249580.6587 300371.4762 266507.364 311211.762 1300785.35 240515.8116 384812.3565 214356.6258 201290.8875 367446.6888 1278422.053 450433.5266 424347.5328 220762.7938 283981.5043 979647.0798 168996.952 293737.1242 2934350.686 641251.051 353446.6045 1329724.289 324483.762 Isoindoline 1.076 23189994.99 120.0811 33200988.41 34317359.42 22095472.43 23933877.06 30576642.38 32327171.19 52221814.16 48151603.28 29493319.8 31698082.44 23508017.04 50114354.96 66004676.75 46840959.21 19434283.47 18863762.65 22744484.7 57218664.95 32851958.68 39474027.04 27751008.75 30388890.58 29662524.88 40366172.92 46372752.46 59526423.6 28498961.62 30724879.59 28763784.59 53591075.21 57960887.52 54426725.21 32086448.5 33569495.99 24309151.64 55827373.87 22141884.31 28046692.09 32398603.88 23563138.52 15540494.15 32400778.88 36625486.7 36519265.66 16897294.25 15217132.77 28893750.1 30378031.35 42754433.76 45581394.88 31039501.18 47897748.62 23359814.09 Isoleucyl-Lysine Ile-Lys 0.717 1375922.227 260.1975 506366.3404 505222.718 762813.2923 1395312.559 934865.8545 465234.9943 1446520.557 715632.3414 609281.4346 1413041.05 20533518.34 512319.9052 847984.1412 574449.6335 18034898.09 15369940.69 438752.3406 1060809.512 427272.8995 488217.5352 708729.5703 451342.3808 590052.8155 514497.694 541426.3407 459785.3463 438370.1838 459915.7818 1357245.457 377628.628 560152.1559 685151.962 1137060.402 1506866.25 572820.4918 493832.2206 606490.9986 445059.0307 520021.8806 548177.8489 578659.5382 513356.7497 458448.1597 422588.1543 572796.4335 564331.1563 823023.0138 376597.9302 1234563.308 648775.7727 730177.842 524059.2517 641872.6968 L-3-Aminodihydro-2(3H)-furanone Homoserine lactone 9.561 16120486.3 102.0552 25324593.35 17856411.33 7429759.339 12686549.16 15770404.02 19046309.05 78765758.43 21249109.12 11305196.31 7295473.295 45636809.32 37051172.11 43952427.91 23983382.48 34814660.66 30162258.68 9739585.921 32348726.86 13756833.28 16393478.74 6989718.191 12274028.41 14368020.24 26235496.31 25970300.36 38625116.49 13740992.2 11454583.48 28232838.23 34061754.8 25064623.65 18156605.75 27493685.96 32980560.79 5002735.771 23085980.27 9392321.541 13769054.45 8007543.804 5226257.215 6166368.417 8618724.524 23917662.02 22432894.83 5570216.545 6247758.835 8640263.742 22721355.5 11782015.17 14808776.52 6615943.606 26484502.49 5863363.044 L-Acetopine L-Acetopine 0.71 1083514.633 233.1249 7068014.012 8029559.565 6576004.123 1663698.273 4680050.445 6966163.291 70587715.77 31871645.49 9068453.077 16489991.62 11583062.87 54307159.27 26031575.64 21654206.53 15239406.83 9316318.693 4635736.142 22992039.9 7096670.99 7171177.155 7722277.93 3896056.349 979299.4839 3856991.591 14364256.32 14367936.05 1154440.083 1180094.034 7913635.396 13261172.71 16746290.85 16025109.63 9739596.226 9546498.654 5729531.018 14996834.66 6796008.196 1428101.517 2325823.058 4933537.551 4431080.543 2096578.468 5900689.233 5024854.727 2208627.572 3702115.529 9157745.905 4264773.276 23369542.6 12665343.76 9379528.798 17571525.2 6385431.334 L-(+)-Citrulline Citrulline 1.709 3360171.87 176.1033 2553239.931 832826.9354 809474.1779 2449725.191 649861.4014 996239.6242 5614953.295 1328492.269 1209328.26 1653014.046 21167604.51 1779829.558 2075517.1 1054256.185 16283080 14742349.63 840729.0455 876814.1969 936816.7398 812956.5934 1179938.597 1470195.622 622841.928 2216536.034 1181540.565 2128692.532 640893.1276 653587.4296 635350.897 2623059.929 2165510.334 1513818.356 662617.5393 1181217.185 922426.9592 1328510.075 1042490.668 1311005.303 931655.3468 910118.3378 1013227.088 968858.51 952325.3666 1058601.341 859689.3374 760761.8292 1112531.741 1122230.608 2806720.392 1079449.994 1357450.893 1492108.097 886460.7854 L-Ergothioneine Ergothioneine 2.422 2620055.098 230.0962 428027.4362 717376.3502 894976.4698 1684741.112 458070.7671 613236.3824 23426098.09 3516287.282 896168.169 1906066.064 822437.3143 8061275.093 20628201.86 9837484.662 533567.4672 490485.1629 694828.8505 13953404.48 3471993.31 4619567.043 720618.5335 551131.7458 609286.8546 8592947.412 696562.4688 2027966.493 553184.2187 607844.95 567425.5636 2258857.128 3256412.087 1603674.843 847817.026 1121725.252 752102.404 2751202.161 555562.5268 504255.4019 475639.9794 797405.2178 508613.5346 571319.0167 967604.5499 1201742.363 440871.8265 475274.1259 819233.1671 1307115.179 1784171.67 23847113.27 858019.3463 51856920.31 733017.0786 Leucylproline Leu-Pro 0.693 13953827.44 229.1552 11318116.63 219682994.7 22568786.34 16262926.86 11076864.72 12712159.31 16791826.41 39147548.79 35279370.21 55470410.1 8766013.737 11341197 10321534.85 34004862.85 9456338.176 7712621.663 11142023.89 23405188.98 26130314.52 14140804.81 34680929.8 14848422.08 12302924.13 21030930.96 12120687.84 9384781.01 10119798.51 9729650.941 7922709.678 9740292.844 22393270.38 37009008.58 7609097.552 8284691.766 12294210.31 31382524.51 27614870.96 12705588.66 15198710.48 12348178.5 12569215.66 15424146.93 13480987.64 18022416.91 11408756.33 12984163.12 40037505.9 11227463.31 69195969.68 14792579.53 39936123.55 14465423.95 236289953.7 L-Glutamic acid Glutamic acid 9.56 394008021.4 148.0607 609554008.5 401185504 162366611.7 311136364 353168042 434688479.2 1793987001 484222214.4 206598922.6 112994975.4 1089649395 881473035 1053676595 546925233.5 834903024.2 725327094.4 185230034.5 752789862 293755650.7 360997560.6 139903193.7 270848333.4 329858120.5 620743836.9 601269872.7 936419186 318112535.2 271476728.7 656909438.1 813672912.7 579754924.6 431739862.9 669718525 774420883 100883894.5 544826924 172362125.1 316623067.2 164539662.6 104379847.6 102905504.2 205625652.3 576998500.5 543261156 106607383.1 130747188.3 116676311.9 508664702.8 117402607.1 316477127.7 92528964.66 605751141.1 97505202.1 L-Histidine Histidine 0.963 2722938.948 156.077 14558482.67 1113158.655 1579962.087 21036104.09 1520741.667 2067169.894 142462673 32442571.95 1004862.143 1674577.399 59876653.32 37433407.51 44852691.62 41626041.32 28725161.71 13279061.6 1102171.689 13329991.75 1169659.695 1769823.5 1084605.714 6056001.175 950675.2833 6178201.016 20095002.64 32665802.25 1638395.249 1265706.13 15930342.71 18245867.01 18446568.62 6755944.158 16728487.73 12149688.69 2345511.056 14410268.7 1284369.727 1065602.338 8592997.217 2963320.224 1273985.27 1120394.254 2284277.604 988893.1768 1166288.589 1191996.866 2345059.704 1009011.384 2590684.821 4372073.802 3700183.555 11127096.29 4870923.351 L-Histidine trimethylbetaine Hercynine 0.774 4620344.255 198.1241 16423169.35 11143658.35 3718521.133 4280569.423 6630736.892 9623372.767 20775219.71 11874564.89 6370799.313 7773948.332 13086467.97 12650812.9 13983345.83 10769975.17 11796199.22 12973318.1 5171644.196 11059468.76 8404489.946 7747009.947 4982077.289 5861826.995 6112904.943 9155057.198 16013094.14 18879370.38 6851724.259 6841089.646 7958018.893 19924756.33 12399870.84 10956958.99 7276315.603 6729824.51 8397808.369 12145004.64 10938709.76 16315781.08 12674902.71 8263710.306 6185913.716 9555643.171 19654970.79 18142593.55 6891592.128 7675931.779 6389012.814 16279544.82 13070497.08 10442911.32 7169603.454 14036016.65 7607558.959 L-Hypoglycin A Hypoglycine A 2.525 308012.603 142.0866 357602.9555 517123.409 645147.1154 538593.673 896353.1129 379559.303 6246463.862 1377609.316 646006.1563 1373994.808 3076039.498 2397875.132 3244687.275 2277916.541 2304282.978 2051231.273 560961.3102 3893170.305 1213472.995 973860.5733 519460.5489 423915.835 601281.0317 1659693.944 1928439.741 2693822.755 398764.9006 561259.202 3770277.325 2210117.8 2309305.133 1377944.88 4043069.424 4998722.23 542155.814 2303705.903 506478.4212 674143.9435 342866.8474 395505.4346 360006.4346 416605.1725 2076283.633 1486563.786 394210.9553 501289.0002 1116845.129 1852050.463 2496321.375 7123426.292 982069.7842 15605643.63 764049.0704 Linalyl benzoate Linalyl benzoate 1.049 5630871.406 259.1698 10626843.63 9964077.478 3464296.712 5674313.56 7067283.721 9849791.788 9102262.42 5437398.957 5559403.954 3092630.101 6032197.494 7262288.919 4685329.284 4531268.355 5436152.723 4491076.231 9717002.499 5178661.536 8488047.153 10447442.86 6464869.859 10571143.63 8800201.604 11274533.09 5000195.625 5845085.338 7899974.761 8909904.487 5998931.66 5461939.151 7675680.066 8605870.449 6497736.041 8250767.69 7497286.779 7022435.827 7003106.997 9294193.678 8090690.984 8343375.537 8989449.39 8113003.481 5289111.962 7096621.861 10243077.45 11787989.57 6078406.481 6214460.833 1424624.981 4719178.392 5249338.788 7608241.585 6366994.18 L-Isoleucine Isoleucine 0.909 147437021.7 132.1022 224811260.9 224810194.9 166368426.3 167476288.3 165806728.6 203802577 412308559 303036219.6 207426801.1 298787926.7 247433033.6 331437434.2 457269289.4 369636010.4 251179682.7 229627532.8 141458966.8 423562111.1 242372233.6 256187794.3 150088404.2 131217151.7 144833545.4 285106649.9 346620276 403324149.2 143194338.2 148698674.3 280078631.2 364315993.4 357382130 397391885.8 274283324.8 307114891.4 149767772 347626856.7 140735845.1 125837754.1 105031640.4 137535232.7 100881150.4 139721693.5 167089653.6 163556076.4 96703503.33 85710694.78 184552612.2 139149373.1 323996386.4 289546126.6 204042034.2 313234199.5 193299481.6 L-Lysine Lysine 0.761 16843935.32 147.1131 31596087.94 24980792.52 8707939.691 9092875.633 16526441.32 22741678.87 56510098.28 39479610.63 5099859.428 1935076.949 13883559.14 65965883.29 82453227.52 38840868.93 59499966.93 51882701.28 13116373.75 68966342.48 2063214.084 1931914.049 4579454.311 23967608.08 20111134.05 1551817.064 30281525.03 47842452.36 4267408.381 3918785.787 7569349.975 50088671.39 18552163.44 10404802.54 63700308.12 6592172.379 3134392.35 20140808.18 1171422.116 1408751.941 22641065.27 4160572.296 373498.1414 803416.5145 43962667.18 40247318.46 1023309.35 881191.1524 1094281.14 32665376.14 1319013.001 4360328.796 2267739.728 2805710.769 3115383.917 Lorneic acid I 1.667 718559.5653 454.172 1095547.701 828586.914 116391.1763 740068.7715 1800224.284 1677044.77 6030302.823 243955.0487 867582.9048 303547.9631 934674.9167 1099090.407 391537.7142 165567.1173 1970987.956 554622.929 172554.2775 109605.1597 998827.2506 532137.6293 160371.6728 979201.5285 667243.9991 780483.3287 345500.109 546664.0269 3518227.426 909261.6521 1109975.097 1094419.301 1026334.792 6036869.982 1139368.141 603854.3584 160301.7712 201152.3855 158616.493 979908.2027 173668.0412 987905.3974 127155.2076 2295497.972 632634.421 646215.8054 2825624.894 1077677.398 849213.7455 793779.6456 515406.5449 330229.4142 246906.6028 139203.1044 1744651.769 L-Phenylalanine Phenylalanine 1.078 61236723.62 166.0866 84214486.81 80268349.75 61684631.33 63705447.07 87601833.01 86351013.54 139980323.1 104384469.3 75517879 76504971.55 61933555.27 126856695.5 166648106.8 117979777.9 61244494.39 61499427.39 46973495.64 136802291.8 72651836.86 98555985.13 39457034.09 70660559.76 77590800.87 100058223.8 111600139.8 145192407.7 75275643.82 75463292.02 75583105 132359338.2 147106207.1 142540622.9 66772334.29 75414525.37 41807202.02 148218704.2 56474505.39 60020536.82 63565429.6 55648306.77 29273704.79 79590700.5 92430179.63 89243240.8 37514705.12 35153985.89 65173983.73 79260996.02 85182218.97 102173222.3 43772688.32 122086917.9 54164295.49 L-Serine Serine 1.865 7495423.927 106.0502 5963955.012 3881022.477 2879097.429 6533570.281 8786840.046 3663011.004 22026300.85 7785793.079 4544507.486 1801553.818 22693318.34 12197986.72 13246167.6 7918623.016 16671835.18 17687139.87 4150099.358 13003429.11 5211481.435 4561942.586 1112091.191 6032948.389 7509886.075 10584077.58 8081831.882 10404184.27 6767169.127 5539262.48 17395387.59 11799980.94 10730242.48 6903311.495 15425161.13 17957529.97 4572049.185 8690920.374 2361241.754 5314267.697 8948069.525 5873917.055 3551616.415 3592622.674 10223602.65 9417716.667 4979218.461 5657176.295 2888392.738 8562283.394 2115617.881 10795134.35 3760246.894 16690102.19 5338002.749 lys-leu-lys-leu 1.047 7617500.991 501.3777 7388990.032 5016653.445 3279424.121 6166144.132 1780501.206 4730263.31 8194684.395 3994701.554 1746828.116 571108.8982 7905234.35 6016191.267 2294893.506 925676.9042 7163342.93 5436652.182 2030463.692 2853978.634 2366184.425 2223630.332 1238460.313 2521597.566 5008823.379 3421832.189 2012940.605 2248760.129 4716459.983 5134937.118 1548128.197 1883004.738 5864518.979 5001999.862 1598129.795 2343425.025 2827776.882 5176251.18 1704171.243 3219222.157 3924518.74 2334454.108 4633742.786 2642563.897 2667450.146 2771055.564 5048192.175 4673456.687 1462131.162 2443974.702 1157289.045 1596276.917 720055.0401 2526732.702 1586534.049 Mayolene-19 18.231 65413256.46 575.5051 24747178.82 31935772.75 89766071.25 69955797.52 102178216.6 94075497.83 24647331.64 53111291.58 117938686.3 279775173 38864278.36 36125725.85 40092170.66 87306613.66 37420357.28 63648902.16 66281368.38 73899713.07 50435840.99 60916690.66 91493837.37 53449359.91 60409193.03 65448465.35 48981854.65 38510994.5 57875955.34 110236090.4 46140346.52 103101316.2 52403244.13 57071884.89 63771065.58 79465244.55 63812369.5 41809522.38 70108904.12 59078511.67 67194541.51 45640949.72 87801893.55 100687262.5 42272038.02 65389058.98 96109942 122404280.4 209372173 111070474.2 98621503.49 53585445.55 222869528.2 39614449.76 158987572.2 Megazol 9.564 13253981.3 227.0346 20350419.34 15808011.66 7733225.872 10848789.68 13680471.82 15613852.64 32078061.01 19632729.67 9886306.663 6336809.444 25803512.19 27182753.87 31506855.56 22490243.5 21438786.36 18994963.85 7986891.919 25670671.99 12418416.58 13251371 6187653.698 10270133.25 11624200.4 17065565.05 22398257.8 27626993.26 12286782.94 10841571.64 21598595.83 21810480.9 20192225.24 17873327.03 21006922.78 20665665.97 4330273.937 22077518.11 7392965.618 11908507.69 6936183.168 4387630.834 4652196.314 8509844.588 20892001.09 17492577.54 5315560.495 5316840.544 6035354.987 16940779.71 7977772.848 14126971.76 4285039.928 21697729.66 5040765.839 Methcathinone 0.775 8801069.902 164.1074 9085831.585 5475990.618 3538382.821 8459893.953 7887750.313 5955976.619 27397177.08 7633937.896 4985023.286 1559616.536 5438318.239 14114509.95 20294543.44 11691974.11 4988669.735 4264084.237 9684849.334 15181191.06 2677558.729 3908746.468 5946695.033 14023270.45 13550961.99 5485794.261 5356428.169 6891032.993 13920815.35 12198948.38 11522602.09 7338986.901 7444714.744 6617850.359 14022252.81 11648707.74 12914346.39 6858825.684 9388640.04 16506317.14 24799183.41 16279287.46 16312913.29 11886415.87 10284254.83 13217788.67 11572663.32 12254163.99 4306220.811 9428550.157 614629.2807 6371482.264 3289853.672 12942947.87 3470224.358 Methionine sulfoxide Methionine sulfoxide 1.959 10687793.65 166.0536 24555731.73 19577274.45 2579793.674 8462126.237 14786569.29 22567717.73 31677226.08 8740467.144 6324852.732 2803530.645 11634580.58 16230987.35 15237650.28 8115676.516 8967307.164 7209698.37 10571380.45 11365270.11 12186796.66 16834309.22 5603599.441 16242716.87 19991581.8 29851813.01 17089661.67 39113728.71 14543861.15 18047156 11770294.08 38241744.79 13986845.21 9749648.648 10784583.24 13287663.43 10269157.62 10989045.91 7019492.661 16826678.19 23169304.31 11209838.95 6026239.655 9560492.067 13105850.06 12745369.35 6887041.05 8330241.953 3462527.466 12881088.84 3292268.875 1558554.382 1738152.752 1102102.589 4489748.239 Methyl (1R_4S_5R)-1_4_5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]-2-cyclohexene-1-carboxylate 19.532 259519.5111 365.1064 539781.2663 593709.4591 226603.072 1148027.787 952804.9461 609471.6914 531995.6422 1044377.568 709920.3546 797191.2507 1634580.777 511466.3972 336331.4587 192019.5375 192589.5953 508894.1314 511983.9127 823787.3613 586609.7649 1078567.759 281847.0018 438507.918 554166.1926 881673.7624 1027478.142 377265.8904 640372.6154 686485.2093 589071.6861 390113.0286 380949.907 846003.7618 512272.1564 807409.7121 272557.6507 1056087.095 535239.3187 595088.9389 811974.2617 566612.7925 439077.1585 332368.7641 264078.1129 247514.0862 3915946.841 574211.086 763247.99 226639.1348 1128903.55 1134830.947 2162054.658 618337.9077 261331.4714 Methyl 2-acetamido-2-deoxy-β-D-glucopyranosiduronic acid 12.573 439585.9661 250.0929 377825.4292 87336.4568 85137.3529 402712.3007 66910.7063 199528.8264 1044559.725 112919.739 101796.0263 163641.6471 158053.5952 213946.7838 551386.4449 108008.5942 63637.6447 120970.8418 109652.0675 332129.8037 93264.0716 246579.9268 104170.3697 223192.5751 61545.8403 801648.3566 106385.3687 183273.7873 65133.7092 70218.2497 71426.205 431184.4599 139767.6857 106049.9693 63258.291 110700.9187 104738.6654 85756.0118 134653.6034 301162.8805 593044.7102 199045.5944 77923.6903 165250.4026 85285.9293 105177.5454 80592.3209 74913.0645 104791.5901 111926.1436 208752.2839 111396.4427 121863.784 344324.8665 103435.6372 Methyl 2-diazoacetamidohexanoate 2.412 984852.5461 214.1191 655513.9904 448304.5175 825025.1089 875372.4611 422267.956 565305.8268 6468917.811 2708858.428 826123.665 1757087.94 651719.0037 1857841.212 5038980.81 5434488.647 343415.7972 452148.8426 640521.0276 6385527.15 2697325.603 2425949.989 664294.989 508055.2886 561664.994 2203856.044 642119.1463 1261565.125 509947.3402 560335.7887 621568.7228 570243.5821 1796923.031 946157.3589 593435.4835 409970.397 693318.0802 738875.6416 512139.7597 523952.6711 438463.9587 735080.026 468860.3008 526664.7224 1568113.155 405409.2889 406413.2846 438126.7002 755201.9028 578900.0432 2384995.219 8703165.433 790956.5543 9682640.703 675724.4638 Methyl(2-thienyl)phosphinic acid 7.927 9959932.996 162.9982 3042268.82 2012729.295 5446119.294 9188620.792 5686740.854 2970672.768 12192079.32 3688330.551 3747865.18 1147608.363 7654818.806 8899105.782 10698289.57 7272509.273 9526205.36 8650622.849 2208806.675 8290493.367 3201572.547 5785551.875 3108506.727 6454316.379 4523854.963 7672404.167 3664056.472 6297511.658 4952389.429 4268937.603 8091943.918 4623604.032 5261043.427 3470568.491 8060922.593 10534276.94 2527527.421 3845424.73 1747363.607 3490671.679 3323689.505 4129972.402 2143825.55 2445904.759 6197016.105 6005329.207 2535391.011 4452656.611 1562026.281 6767828.396 1564340.501 3472838.286 1736495.901 4580434.271 2055508.488 Methyl 6-[2-(4-acetoxy-3-methoxyphenyl)-4-oxo-1_3-thiazolidin-3-yl]-N-acetylnorleucinate 7.741 38762263.19 453.1688 15485451.71 17917099.19 27361019.72 31813048.62 9443004.918 22527023.99 42069728.15 17007180.12 8860838.004 8703700.104 33015015.33 22586311.73 11954417.46 16183394.01 27006855.14 29922020.55 18839543.13 8413457.912 744747.4905 11720042.15 15231984.05 13956106.2 31711533.59 19603982.33 10085496.09 14218489.95 26358971.02 14276347.36 12968885.19 3274626.834 23887707.88 9464659.198 14717812.3 5335587.921 10412322.56 20827693.21 17478894.71 13890947.06 8711029.868 13555133.28 24426000.02 18130933.91 15506118.86 4390258.368 19853750.05 16297296 19663153.68 12496758.65 6997360.972 9660409.172 11973359.73 12319935.01 7503753.268 Methyl {[cyclohexyl(methyl)phosphoryl]oxy}(phenyl)acetate 1.257 16958.8071 309.126 20358.6105 26037.5981 29459.3372 21331.9628 22687.0055 23101.6539 1976588.876 1038509.535 34665.2251 54402.5423 16626.4121 1290761.983 1299419.613 963326.4514 18851.7029 18890.5056 26075.9764 951547.7501 29440.108 25095.3117 35284.3883 23484.831 20426.1314 19216.6865 854823.9109 1081492.279 19635.0802 21684.3173 21497.7378 22201.7838 1356427.61 1295073.835 20816.6557 20142.4545 32141.798 1428111.518 31010.9463 24512.4097 21904.4212 29189.0467 24977.7126 28421.7417 914142.972 22348.2895 24085.2348 26979.3178 36710.175 22385.0185 538154.8661 1615970.182 37024.3579 2193397.352 31398.519 Methylisopelletierine Methylisopelletierine 0.622 2237389.606 156.1386 5280073.844 3832612.847 1092100.789 2140337.123 3628937.787 4296079.697 8427620.868 3612530.56 2722176.193 997920.1428 2780944.778 5313904.972 5057741.992 3239220.855 2657386.244 2524443.203 1751076.531 4108159.087 3197718.23 3589134.221 1270356.032 2247636.325 5554034.619 4623153.699 611325.7836 1333622.507 5309385.831 4394061.845 1986716.797 1275212.292 2706716.384 2386068.751 2222467.61 2218124.335 1873069.806 2768554.646 2504129.821 3363396.225 3051935.313 2130535.903 4815471.099 2991213.21 2670150.293 2546257.663 5325997.617 5972566.91 3294081.164 2127727.4 1315236.312 3184418.629 2678457.951 4138587.387 2745973.975 Methylphosphonodithiofluoridic acid 0.679 17154.4964 128.9406 19824.1275 25325.5213 28682.8373 18215.965 22032.8987 24690.91 20537304.85 14691464 32966.4233 57701.5833 15739.1703 16889275.74 17028883.45 14586335.54 17751.9187 18243.0602 24590.4813 16389727.63 28055.4382 24809.4401 33618.0686 21542.7627 19986.6509 17748.5163 17988713.42 20221326.31 19379.7707 21741.878 21083.6391 18635.8657 14432460.65 13026249.96 19943.9782 19052.5868 30158.2433 14137101.4 31155.0467 23637.2257 21918.7526 27399.2644 23796.3243 27782.0582 23813428.79 21674.7282 23115.4539 26279.9712 35177.0673 21516.7011 4558678.388 11527243.32 35683.0675 14023848.86 30261.8286 met-thr-arg Met-Thr-Arg 0.695 15837880.46 407.2056 25716010.38 22046654.04 17797595.57 18631773.31 25555787.86 22544998.03 30367944.85 20368331.72 16454606.01 12194369.82 19288285.93 22466139.07 28418649 24926438.43 26695858.61 21386303.14 27936005.99 26999290.68 23643773.55 23770808.57 21263085.78 28927379.88 27006535.28 22885747.04 28319096.91 28604603.32 31984296.99 23642015.51 21599708.16 27010769.68 23415111.79 25381970.14 24627147.96 24531140.59 29093201.89 18964372.4 22778416.27 33558362.75 34044603.54 26518604.48 24009948.07 26848187 33524899.29 33981529.07 26812255.84 26365902.94 19488318.01 27125184.27 7894467.563 21794700.35 16306164.66 20909650.54 15463702.42 MG(18:2(9Z_12Z)/0:0/0:0) "MG 18:2(9Z,12Z)/0:0/0:0" 1 41855645.55 355.2852 37742868.73 32396231.27 27130073.66 40073609.25 25440881.16 34099325.86 31517854.26 32935161.13 19698490.72 13858926.01 22553510.01 28409201.88 32430152.32 26744761.13 21884391.43 20789544.19 37053432.84 30123919.23 38193510.72 41867846.8 24782647.81 41790632.26 36054873.75 53023259.94 23930311.12 30539386.12 34285209.14 34354995.39 28322185.64 25748425.58 34345887.87 30717771.53 27405221.3 32126669.92 27707280.72 26021116 31551729.82 39923925.93 35737819.59 28604465.94 37788692.98 32834813.41 33047262.89 29881451.41 44747060.25 40156824.11 31600035.87 29017633.84 10479569.31 35492864.01 33510146.57 48911927.45 31814142.32 MGDG(16:0/18:1(9Z)) MGDG 16:0/18:1(9Z)* 1.293 577681254.2 757.5806 180049313.1 98250320.88 409989340.2 500756515.9 289860595.1 171916948.3 229417537.8 148366602.9 266194795.8 109973576.6 287157252.6 186720614.5 240280099.9 162645968 270243310.3 255782339.1 423663858.9 205032848 141653578.7 214908179.5 362569756.4 423931726.5 268109944.3 228798151.8 157332385 106030434.7 239678624.2 241575031.7 217127015.5 167044083.9 176381736.8 167530605.7 221359201.4 259453952.3 486835457 190331438.8 270078570.8 339932735.2 203044189.7 476351102.4 342121206.1 294058048.9 259515699.7 275551209 326393333.3 391646656.6 277941905.3 278476135.7 69230299.91 365834739.9 221691696.2 412263761.4 248450891.5 MGDG(16:0/18:2(9Z_12Z)) "MGDG 16:0/18:2(9Z,12Z)" 1.299 191595424.5 755.5647 80328983.64 57403602.94 120633759 160728997.7 137050144.9 61842521.35 72687548.89 35620491.71 94987096.86 40582472.97 135123574.3 56800628.09 184304052.7 52189435.85 128020540.1 121486812.5 154065051.2 64731706.56 59494023.87 63077442.51 105075658.9 248127618 108565858.7 72222564.93 45185338.91 78918427.8 116312218.7 116668457.9 97750898.08 54768323.66 50583988.61 45266625.15 101850395.5 127763129.7 134651376.1 114269114.8 89606006.92 118878635.7 240908633.6 222931886.7 108594124.3 113281565.7 117495213.7 129660142.8 105825148.6 115625855 69222819.95 124355937.9 19210341.67 115080706.1 44885117.54 141667231.7 75747908.43 MGDG(18:2(9Z_12Z)/18:2(9Z_12Z)) "MGDG 18:2(9Z,12Z)/18:2(9Z,12Z)" 1.154 161421579.2 779.565 72594724.66 51816669.86 102344396.8 136741980.1 86758734.05 50699218.8 57663702.82 27161553.85 59116070.84 22113090.48 89286639.69 46835083.52 65406798.13 36319065.64 86956831.31 80983270.16 122378895.9 55424075.85 63068457.09 67272674.77 85921271.16 169139533 92831189.82 69506483.7 35031944.01 59728045.36 98434047.62 104230522.8 75777056.03 42507922.82 41652804.11 34999412.57 74154476.49 98675103.04 107896124.1 39110717.43 83793659.12 117814673.7 124346176.9 133391559 139372895.9 105663804.5 82164698.95 89774486.74 126239308.7 153536241.7 77262742.15 87578408.33 11693464.01 75696985.43 55892203.35 99425889.69 85835064.02 MGDG(18:5(3Z_6Z_9Z_12Z_15Z)/18:4(6Z_9Z_12Z_15Z)) "MGDG 18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*" 1.327 186265722.2 769.488 175013685.7 179923178 185841589.7 173136344.8 232643919.3 180443739.7 197900999.4 206102532.4 234443051.7 138104447.9 195221016.3 214655240.5 235247088.2 196903543.1 194365926.4 197344738.7 143308270.8 231142799.1 203773313.6 208607330.1 132622188.3 142396799.2 216274588.3 176084714.6 211027368.1 247038167.3 197355122.6 198101272.6 232442116.2 184528589 206405107.1 221453610.2 223717105.1 238356938 129018241.6 226511273.7 225806587.1 219914489.8 145424009.6 131035246 231029590.4 228884570.8 240967432 247262298.1 228078175.5 244204682.1 230849357.9 244356382.1 140256025.7 311771124.7 202670851.9 291076968 233549633.3 MGTS(16:0/0:0) 0.919 151439081.3 474.3804 30545677.18 21947660.6 81404438.78 152405592.8 49449398.96 31928751.14 43692131.92 15653716.24 32045044.62 17073279.54 38286971.33 23106756.19 36655671.95 25651373.58 37355599.35 34531439.16 58003645.18 32599982.77 28566641.98 36584221.74 36433133.91 61584472.95 40283604.42 58438595.51 14029925.96 19436605.23 42802217.17 34404404.47 37947491.28 29101083.28 15295960.28 12787660.32 41773887.46 48396689.66 14940588.65 10167486.19 21040359.59 30286718.4 22415127.42 19417623.85 6793920.267 28144567.41 21885174.17 23461570.92 6342875.494 8112200.797 6123402.318 24613134.68 4534070.431 24803581.89 6508530.356 47290054.26 9182967.147 Mono(2-ethylhexyl) phthalate (MEHP) Monoethylhexyl phthalic acid 0.965 111292561.3 279.1598 34601500.48 26511555.02 54237903.04 90298387.58 65845094.94 26122121.48 118979371.1 55354466.45 47901451.77 23708069.28 50521115.56 79593617.9 116481036.4 76221483.24 46737430.61 46035574.02 74786967.14 92089866.47 103574795.6 104101455.1 57461346.91 109499794 88543258.47 149702262.6 39892371.45 48624374.65 81770301.28 86696279.56 87959031.55 48108034.74 57681822.4 43523501.42 84488206.67 108787560.9 71533155.81 52842288.52 76405909.55 103319668.1 94771471.02 73747103.24 98911631.06 83773325.01 78295828.96 72035314.46 103062189.5 114196820.9 49279186.97 69513733.86 22585426.54 85737784.51 50353149.83 111972771.1 54013335.64 Monobutyl phthalate Monobutylphthalate 0.976 44828151.1 223.097 17600680.94 11103641.09 21280218.93 38666038.32 25665283.88 12747373.79 46530622.23 22064844.06 18096598.23 6216591.886 17820812.74 33538898.41 46838068.96 29823885.92 17436815.88 17749297.71 29582010.22 36409563.66 43290700.5 46541546.34 22384630.46 47400535.9 37248296.27 65205363.26 16487137.89 21656872.72 33786923.02 33280509.99 34971909.48 20422528.95 23845485.06 15624758.23 33199926.2 46345787.85 29210714.19 19261179.47 32461473.61 47648694.86 41060109.9 29435217.82 41444495.76 34315025.55 31373624.37 28341891.49 44844204.08 49475991.04 21064362 26370524.39 4681492.717 34656431.97 20076609.65 45850144.91 21289857.95 Monoisononyl phthalate Monoisononyl phthalate 0.95 45772822.29 315.1575 23283291.64 84845172.64 34940368.93 47292088.42 43826566.68 17001142.46 43970771.05 34722574.84 34599660.51 15893635.47 23596613.74 51383967.68 66541358.18 54624049.3 27024344.65 26573978.84 43811218.42 61996032.14 70847621.04 55418106.32 40195027.07 70466472.09 48098705.41 53629950.83 28684329.71 27457814.8 39971066.34 40035853.36 48932730.57 32041587.66 29245706.82 20350856.87 48242551.52 53374664.39 48590253.06 32385963.85 49782059.12 57021111.15 55791342.61 46823909.11 69201825.04 49741293.6 40665575.24 39183859.55 52976404.32 73389522.31 288481626.1 32496177.95 16771550.55 54008991.02 28051436 53016420.38 33223793.34 Myristamide Myristamide 0.621 3053356.72 228.2327 3107820.677 2711974.59 1808682.75 3248234.9 2760391.719 2445752.147 4644153.226 2934240.972 2160121.781 2299686.425 2260406.458 2679764.075 9191700.873 6635355.549 2452197.002 2548313.684 2343879.632 9733425.791 3147687.732 3490422.059 1597963.739 2901446.42 2797754.238 5081143.637 2852697.424 3268703.709 2123779.864 2150987.922 2020426.496 3353552.006 3462862.902 2718003.751 2735988.584 3059253.425 3554677.911 4271871.484 2088285.449 3713366.437 2607079.445 2503571.706 3243293.594 2851165.276 2627995.289 1836252.499 3790077.554 4002536.711 3718795.696 1671031.375 1819124.785 2802483.968 2824916.857 3889404.443 2769209.819 Myristamine oxide 0.647 5048161.025 258.2798 3321338.315 4830926.297 5108035.238 5253619.115 3693571.562 4715842.102 4004424.986 5692247.459 5356388.496 7862034.641 6259491.907 4979880.429 4651669.398 5472121.475 5550003.906 5790895.635 4133672.1 5843430.07 7122161.943 3901627.667 5169128.743 3931261.932 6548538.613 4157827.244 15112765.95 17085704.78 3230183.547 6837606.535 3154471.091 15849942.06 6569339.498 6759204.363 4167680.45 3334966.51 4741718.568 6183376.295 5447296.942 5534654.149 3518047.856 4998793.052 5429775.16 6037588.734 3979955.419 1747888.351 2467818.043 7301728.124 5337690.541 3746642.018 11080421.52 5518501.476 5873736.588 3673357.322 5166955.434 Myxotyroside B 0.902 11485221.72 518.3474 2777373.752 1488980.664 6901733.516 13546549.81 10796780.13 2581220.908 2451539.669 972431.2872 4732813.317 582829.1624 356622.1275 2866834.044 8698804.917 3212308.627 4074201.497 3536780.356 2425531.107 5227233.969 5651778.655 6042262.602 995038.874 2998191.357 6190378.794 9673270.27 1385911.473 2750507.73 6073382.587 1104194.485 5735741.24 2677422.232 3274962.392 1284715.868 8939292.102 6652248.978 2404351.64 3092304.878 10097507.77 8885079.587 1985263.513 2207299.055 6101490.707 6244485.881 5062017.605 4646620.177 4072946.56 4409966.582 4504149.05 3073270.916 514145.1146 7490296.986 5593139.047 14798393.5 5468481.466 N-(1_3-Benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3_3-dimethyl-4-(phosphonooxy)butanoyl]-β-alaninamide 0.999 19470.6086 431.1214 15400.6799 19896.0005 22281.2258 17063.2761 17358.4317 17695.6831 7820368.121 2603200.312 26214.6002 40874.9167 12958.8798 4663657.337 4921115.553 2974666.83 13787.6503 14795.4762 20176.3266 3975548.093 21800.7115 18587.5328 26934.5497 17163.8 15708.252 16950.9229 974356.4096 1279819.087 14948.9261 15535.3356 17268.8721 14348.5764 2247435.082 1827405.775 15936.9351 14823.0308 24492.3081 2085378.784 24945.4287 18507.9333 16880.418 22394.3305 19316.2823 21949.7185 2878926.109 16472.9043 17867.7504 20617.895 27662.1582 17777.2859 297222.3957 2322577.955 28611.1834 3317400.205 23967.6176 N1-Acetylspermidine N1-Acetylspermidine 0.711 14061778.1 188.1762 3033347.095 1904580.958 7123933.462 13017789.26 10993690.04 2196084.916 8987701.077 3114454.685 7160330.958 2530769.24 37920210.35 5307768.917 5762671.068 3109658.661 33466950.7 33155499.25 10141919.76 4417302.829 358479.0577 409611.1927 7240158.512 14264783.2 10538146.88 328463.6975 7147549.434 11031257.58 9589535.432 9495222.629 11637782.46 11464951.58 5825347.777 3999460.198 12942244.61 12504765.91 25907380.9 5757057.878 1578057.4 2322175.409 41105366.14 29468075.4 2782551.916 1830620.331 9723340.554 9290483.875 3123616.804 3754758.884 690510.7129 8278249.819 961695.0551 2719999.094 574346.6569 3913059.622 574829.1769 N-(1-hydroxyhexadecan-2-yl)pentadecanamide 0.678 34421477.26 482.4947 8395153.303 5688922.753 15204565.37 31936659.84 11225935.18 7652337.658 16463691.49 4558202.481 6621721.04 3096333.499 13668973.35 6861274.247 6453222.838 5036861.852 12604977.39 11290479.61 9522980.131 6917422.988 7818891.068 8136999.301 7338402.67 13712198.82 17746810.8 16925573.18 5113294.083 6938416.527 12634047.29 14202084.81 7362079.02 7228883.28 4447325.534 4084677.974 9834502.169 11690200.59 13852905.02 5249297.829 9740645.36 14709907.18 22342337.56 15775709.68 14206032 12868800.38 5228801.292 4386192.135 23867698.54 21671068.96 8078318.027 6130556.647 407823.801 3981075.64 5998701.336 6051475.378 7657327.465 {N-[1-(Hydroxy-kappaO)butyl]ethanimidamidato-kappaN′}(diphenyl)boron 1.191 68399.3296 293.183 149496.8266 331982.1935 140116.8684 84827.7357 4200780.135 720420.4774 16477.9985 36583.9317 2203975.939 111942.9232 1985838.418 22963.8222 21871.5292 30593.3804 2222513.26 2290284.027 1153214.305 26718.935 8680397.827 4565837.963 11595931.04 96468.6219 3354614.97 647392.1531 29572.693 21504.869 53913.3197 5392214.404 14464599.05 2113116.137 24040.9246 32351.864 6003318.738 3598849.433 1057245.055 27135.9594 2787968.071 7412933.793 804109.318 236082.0272 6230509.061 3647545.923 25092.0632 3931394.509 2937059.85 3597948.855 7482764.095 1161003.362 64570.1021 34194.6566 4797210.419 23004.4207 3693087.076 N-(1-Methyl-1H-tetrazol-5-yl)-2-[(1_3_7-trimethyl-2_6-dioxo-2_3_6_7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide 2.786 9701302.558 366.1101 11286632.55 6260851.519 3399422.277 5543958.397 9080013.251 23390650.58 14290578.78 2793122.9 4206515.702 861353.2053 7545057.891 5213134.266 4934833.927 4016301.436 17957167.39 6085096.692 4913974.616 8219343.83 9783265.832 11018840.09 3328887.75 4841211.346 7389531.53 18109516.87 5749099.909 11004133.43 6554105.104 7037737.853 5505004.89 10079592.66 5399652.664 4618815.962 6352274.822 5872412.318 1222004.86 4799022.596 2327743.046 3877694.15 3198431.047 1557000.029 1651998.695 4057642.485 3462726.875 2229963.39 2808656.354 2120210.123 1517097.12 1510054.537 1182874.979 3958881.139 3844617.653 5653991.397 1994031.729 N-[(1-Methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]glycine 1.589 647004.3286 227.0419 565764.602 524435.3856 709722.1729 490701.8448 481365.15 317552.6716 25133.4388 55948.7638 630637.9208 1093105.965 482877.3831 36408.6108 33580.8518 46050.0242 480944.0067 520159.9299 899614.9139 42079.8086 451280.4295 702964.1381 744464.9642 803471.8178 438062.891 478154.5721 44278.2362 33353.0398 582572.1792 576347.376 518492.4916 552393.721 36844.059 51253.5255 459725.8618 405882.7701 1901777.697 42714.9753 667371.7355 728860.7797 2637022.52 2356353.083 1094007.156 639460.302 36743.4817 564996.5294 738278.8541 653953.2917 2001331.631 734747.1012 96737.6935 51836.704 879127.7216 34188.1457 1525923.888 N-[(1R)-1-(3-Methoxyphenyl)ethyl]-3-phenylpropan-1-amine 6.539 518639.8585 270.1852 585246.4248 1051262.121 914393.4457 553874.4572 584517.9897 586052.7458 1578273.013 810492.1174 566589.7118 2544431.924 523058.2089 748388.8621 575616.796 1167058.534 938123.39 642350.158 1522858.974 1142739.698 1282029.244 623506.4572 682427.1084 425930.9761 343962.5354 653455.463 3840406.003 482085.593 1120569.381 1508491.394 756308.4879 979869.7952 1150849.197 2496414.977 452632.0888 647186.9028 744138.611 4438429.716 1043778.872 733265.3063 622705.9955 1142972.529 666526.1637 978346.7449 1480452.133 529385.8456 666890.3655 1564502.161 1126455.006 571876.9609 3270487.816 1495792.294 1416402.359 1211182.864 1157460.838 N~2~-[({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(hydroxy)phosphoryl]-L-arginine 1.151 8931.6343 442.1729 10461.9587 14556.7732 801353.9439 11454.0339 12954.8538 44925.4247 10153.8239 24071.7053 18410.6715 31051.1466 9137.6479 15109.8675 14391.1543 20016.2258 9803.1732 10351.4132 126910.1311 17272.9024 20528.4718 46236.1835 3027439.059 12551.8828 26013.6014 12042.9948 19458.4102 14149.897 10507.5089 13970.9013 11744.2707 11171.6794 15818.5855 20335.9266 10664.7032 11305.6802 358113.6264 17793.3992 20089.5336 14930.1179 214239.365 15741.4262 16421.4061 15883.689 15992.2389 11522.045 17569.2163 14926.0466 20109.9546 12896.6872 40870.6502 21575.1811 18881.4013 14910.4513 17735.1192 N-(2_3_4-Trihydroxybutyl)-L-valine 1.254 13056454.69 222.1341 7202153.021 4568900.109 6920582.534 12523126.7 3900504.973 5021013.642 10887866.29 3381783.552 1532383.578 481673.3472 4607064.22 4823923.067 7331816.441 3894328.593 3367944.966 3493758.684 9835404.091 4870227.962 6001958.227 7133927.098 6729665.023 15657275.48 4579119.173 11856948.79 4415818.569 6404517.464 4133083.294 4402282.117 2965020.656 7005840.091 4352901.757 3810210.191 3221504.55 4286123.007 10463578.99 3918635.068 5287934.874 7490909.398 24062077.18 11884133.37 4073864.526 5467235.804 6831216.485 6317048.973 5468312.322 6279864.335 2144250.725 5675941.511 680138.3544 6408486.819 2572638.995 9780946.769 2683566.343 N-[(2E)-3-Chloro-2-propen-1-yl]-3_3-difluorocyclobutanamine 1.499 29836.5146 180.0404 35011.2129 43753.4537 49016.245 36417.4405 39350.4451 39347.9382 2488744.004 76867.6106 60304.7493 101455.1469 29136.3928 7703162.461 2215827.411 8040835.012 30343.3704 32852.0687 44507.2352 55633.533 49171.0806 41575.053 60164.6802 39980.404 34799.3283 31481.9359 2770882.775 8820959.432 33666.0351 38152.4949 38413.1033 35931.2524 7502701.329 69830.4833 35829.27 33623.3477 55060.246 6220147.065 55523.7538 42455.8613 39380.2774 47856.5884 44386.6949 50527.0487 51711.624 38933.2779 40683.0663 46256.219 62999.383 38816.905 130689.7283 68590.9988 63308.2951 46187.1615 52479.6125 N-({2-[(Ethylsulfonyl)amino]ethyl}sulfonyl)valine 9.564 841008.0146 317.084 1761059.039 675026.9498 120905.7881 721393.8683 741415.731 957674.867 8359069.61 738882.8806 129673.8644 194906.8766 4824855.254 2630537.901 3915690.624 1269773.983 3304824.162 2550965.28 163982.8605 1943361.616 250180.1028 706704.7697 115673.248 378845.6125 560107.1034 1994904.165 1584595.233 3166552.847 571425.6572 351515.8071 1885425.415 3000345.429 1429955.439 576096.8352 2232956.639 2417590.597 102040.4201 1183179.906 109820.5591 535524.5848 159324.8266 113559.6444 86901.9605 151485.5098 1403318.458 1334381.978 84833.6122 86606.6994 115998.6183 1327679.959 247644.2352 301171.1807 132068.1176 1802084.675 111695.957 N-(2-Methyl-2H-tetrazol-5-yl)-1H-imidazole-4-sulfonamide 10.007 80159.5722 228.0307 92842.3894 118618.8529 134768.7497 99301.4251 107114.183 110919.3796 6060393.976 1477966.904 159985.0143 259773.0239 76939.1977 2418382.052 3396713.941 1792142.441 84071.5901 86075.374 126024.5965 2326044.698 129442.6812 111962.9413 162173.348 106803.4159 94905.7084 84053.1044 1545314.367 2600177.439 91346.1886 101923.6416 102037.2623 93080.3287 1744490.118 1253680.576 94270.7937 93341.6277 148613.0667 1530836.559 142891.9607 114329.9157 102516.4087 127887.6985 112621.5101 134342.7521 122530.5371 103264.7454 111613.1595 123138.3259 171246.9211 111082.4171 354267.6969 180325.9047 171943.4117 129450.5052 140732.929 N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanylglycyl-L-prolyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-argininamide 1.011 2605784.42 655.3201 2695791.438 1917686.122 1198464.114 2378364.091 1448840.639 2108253.36 27013.2605 53934.9041 785754.5837 253749.2252 2895287.755 35546.9384 32711.34 45539.9077 2273371.223 2364856.007 1402422.976 40875.4706 1789692.394 2152473.548 889560.6668 1554573.802 1975408.534 3284817.304 46532.2411 33295.6854 2138528.324 2318590.638 1892777.813 1446936.865 35409.7643 49450.5883 714793.4659 2027888.022 856076.8662 40465.909 1321141.887 1205689.21 1759980.911 1119856.299 1717937.451 1294401.403 37469.6059 1578818.036 2453752.67 2243627.195 959406.2187 1599115.855 93714.4811 48668.9018 851487.3439 34427.0501 1179505.373 N2-Methyl-L-arginine 0.701 800085.4818 189.135 7514421.224 5384905.771 384450.158 808126.6544 2072740.907 6387968.261 96325706.55 44509194.51 1692139.467 1178836.398 12293512.09 61599656.42 47300130.76 31153716.98 11367583.76 10823532.92 489935.0075 40328343.51 1740552.634 2745423.535 591261.1059 898138.3828 3291908.219 3331961.05 26126265.53 34344836.97 2943347.833 2894039.78 19353378.41 31140071.1 26040860.3 23054907.72 16373381.44 19518832.24 477878.2933 24410546.49 1572242.23 2012657.859 433830.794 457320.048 671687.9867 1697258.836 5717988.853 5294893.617 445708.3203 712085.439 968776.1903 4726359.432 7249110.85 31305184.17 571102.964 41957455.52 649833.9131 N-[2-(Octyloxy)ethyl]octadecanamide 0.669 11863012.99 440.4477 7167519.544 4604903.353 5412829.868 11328374.92 12635241.23 7114094.426 11336043.48 3215313.2 6349482.578 4101610.358 10762967.03 5365505.12 8680997.497 5244739.077 13109139.73 11566270.13 3806955.678 7345917.371 4430913.103 6339119.559 3177741.963 4651825.086 12923906.53 11469399.2 3220234.812 5018889.293 10605206.52 12977217.35 7309532.235 5779926.716 3279821.941 2864433.758 8308733.045 9264816.758 5119222.837 3802763.031 5273399.255 7487576.122 8805157.655 5863335.764 10530248.21 5663157.75 3942108.971 3090936.398 13716963.27 13637016.38 5078804.774 3666131.326 417675.6124 1954924.225 4776383.156 3004095.303 6493452.878 N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-N-{1-[(carboxymethyl)(methyl)amino]-1_2-dioxo-3-hexanyl}-4-[(3_4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]-L-prolinamide 1.324 5628170.532 791.3723 4866865.973 4653164.552 4686028.846 5527444.655 6053093.926 3660246.958 25922.7418 58171.1487 5175750.015 2592640.216 5866792.547 36588.9911 34764.9411 47110.4699 6237285.913 5103424.741 2910037.24 43264.3486 5919592.453 5794268.548 2521430.044 4040400.707 5418004.884 5770507.332 46433.8733 34355.3514 6273423.665 4544235.635 5018953.416 5269188.149 37424.6107 51445.5953 3271780.183 6897824.197 2915234.968 43039.8283 3931041.954 6167938.063 4169664.914 3259126.466 5129660.025 2929137.837 38193.1472 6234625.275 5650970.46 2424992.097 5659976.423 6923424.37 100791.5119 51175.2373 4385321.114 36666.6014 5522600.83 N-[(2R)-2-{2-[(1R)-2-(1H-Indol-3-yl)-1-(L-prolylamino)ethyl]-1H-imidazol-4-yl}-3-phenylpropanoyl]-D-tryptophyl-L-leucyl-L-phenylalaninamide 1.157 17532.6474 915.4655 21507.479 28574.7002 31386.1361 22736.0419 25430.1596 25209.944 428080.4018 370807.1746 36139.8377 60952.877 17937.0488 455489.6003 267554.2282 58875.9181 19243.4637 20319.6496 27851.4344 170410.95 31365.6492 26577.2609 36783.8104 24681.3056 22421.9417 23640.1957 88153.5439 196583.0761 20626.0627 22932.4121 23053.8053 23653.8998 501509.8268 218706.8309 22352.7921 22192.8596 35410.8828 279663.552 34435.9223 26179.372 24466.4319 30900.1541 26800.4694 31179.4136 255213.5214 23809.9877 25657.9801 29299.5777 39475.5017 25315.9794 80228.3971 119178.4448 38843.0462 281671.1044 34813.74 N-[(2S_3S_4R)-1_3_4-Trihydroxy-2-tetradecanyl]tridecanamide 0.67 8830944.571 458.4218 6864158.38 4019517.317 3302630.735 7490216.129 2140760.568 5430446.405 12995366.21 3961788.737 917221.7321 232552.5338 7627941.758 5942554.728 2240423.84 1574292.305 7926216.466 6308436.47 2615915.83 1869921.407 2446305.431 3046357.7 1727706.918 3090840.09 6494532.419 5756998.541 1276506.348 2298750.7 4655596.481 4701129.349 2025939.417 3044029.191 5443556.701 4442713.665 2375227.809 2953536.838 3030174.316 5056752.772 2330375.84 3249093.637 5573330.427 4142085.373 4841555.101 3275621.86 2800793.801 2908002.928 6198485.603 6005859.147 1574321.87 3257198.539 372112.7216 1611133.544 1345005.38 2366366.013 1826879.245 N2-Succinyl-L-glutamic acid 5-semialdehyde N-Succinyl-glutamic acid 5-semialdehyde 12.578 3157309.097 232.0823 2379748.489 1267355.93 829293.2166 2665803.05 475327.8031 1778276.8 5905077.192 1159830.78 172735.685 286620.8764 967786.1857 2247041.667 3253814.253 1559123.906 761436.2024 881266.8555 1074918.242 2291774.282 1606861.59 1892631.396 665487.951 1982893.739 555866.2779 4303742.971 1049163.971 1835286.125 457766.7765 400589.4602 634292.1091 2269885.288 1119679.382 1056699.026 824381.9058 982861.8785 1631179.726 1214932.796 1270643.032 2533418.727 3356885.669 1708513.139 273784.7511 1789446.78 1338426.85 1262537.848 417633.5077 516851.6895 186903.8887 1351065 369784.6705 1503151.43 205687.506 2911605.387 340046.4726 N-[3-(diethylamino)propyl]urea 0.74 22022575.87 174.1605 2502947.925 1297288.396 11098414.82 22176532.53 21173115.03 2088138.275 7983755.564 2795533.03 14071263.35 3064649.043 57714700.99 5142421.875 5015989.262 2965609.203 48323815.54 47360904.32 9509779.845 4000878.192 433800.8296 415572.2599 6750048.128 14050250.61 9606763.716 397478.7966 5874279.653 8277862.415 9000298.745 9872776.8 7250325.319 8945298.357 3704822.186 2903128.953 7723751.561 8247216.298 23720484.29 3056949.167 615757.0459 655362.0527 38932436.54 27927366.49 1090083.933 521199.88 5662092.987 4473483.788 1202566.21 1694558.656 835597.2649 5008781.764 1514888.523 8428927.939 741333.5927 11832212.97 651679.3101 N-[3-(Dimethylamino)propyl]-4-[(5_6-dimethyl-4-oxo-3_4-dihydrothieno[2_3-d]pyrimidin-2-yl)methyl]-1-piperazinecarbothioamide 0.845 36731363.39 423.2005 39211616.87 33355162.81 29721407.31 35810102.28 39774380.51 35021954.1 43854665.83 33620620.5 30699545.3 17272789.11 33936483.84 38458310.1 43927125.19 32099419.26 33313807.76 31651765.62 37760875.89 30066774.09 28237989.19 36564398.73 30487534.32 40619857.62 39705110.93 38900455.95 34429294.8 41867866.98 37135650.04 38069553.59 5154924.738 40361064.3 31518115.52 33805174.87 40416986.33 32893221.41 42640029.86 23187745.69 35806377.71 37460531.51 46531023.59 38917725.76 35041098.68 33233827.31 52470124.01 45456477.43 36703391.77 38268510.24 31437543.04 39323386.96 10262142.61 28950554.46 27379160.9 39271177.35 32268837.85 N3_N4-Dimethyl-L-arginine Symmetric dimethylarginine 0.699 1356411.646 203.1506 3123239.595 2359965.376 651800.8083 1230576.7 1003402.757 2123712.152 42474242.25 20033412.14 509897.6757 1182550.963 5324925.206 24412995.26 20440638.34 14718873.08 4936327.155 4537790.093 367184.6638 16562782.46 724029.5155 1082573.575 593124.1953 596510.0848 1318315.673 1316120.727 11324170.09 14130602.54 1002129.187 942509.5352 6690358.01 13925752.46 11298894.57 9514021.071 6187810.577 7352397.091 479384.1086 9844730.386 1012136.315 1269177.559 435197.8137 458761.0834 484270.7111 1052026.312 2746760.054 2419752.452 447112.7666 472279.5224 688774.5104 2048798.961 2578834.52 10761965.58 691861.3688 14770393.11 455333.8102 N4-(1_1-dioxo-3-thiolanyl)-5-nitropyrimidine-4_6-diamine 1.342 18440.228 272.0467 22008.5334 29731.1449 31359.9424 23398.9702 25919.2977 27542.1042 1321393.65 1034777.47 38579.0115 62889.9584 18822.7989 1211002.904 1514982.391 1302549.676 19869.593 20285.7037 28480.9165 1580136.678 31379.3666 26859.8078 37806.4793 25078.2177 22405.3663 20566.1756 848618.055 1091670.887 21748.8059 23834.061 23748.9273 21845.2706 865896.4093 780066.4016 22833.7313 21721.2291 35600.1104 872180.0292 35243.3777 27029.4505 24002.1821 32017.3835 27466.9647 32372.3648 743647.0994 23946.0699 26040.0697 29593.5381 40199.6886 23906.3906 189408.0902 1575232.859 40611.9144 2230047.904 34440.9475 N-{4-[(4-{[5-Methyl-1-(4-oxo-3_4-dihydropyrrolo[2_1-f][1_2_4]triazin-2-yl)-1H-pyrazol-4-yl]carbonyl}-1-piperazinyl)sulfonyl]phenyl}acetamide 2.098 10855017.87 525.1676 7896603.654 2742035.704 368710.8236 7617669.261 3222540.435 3676494.009 12575795.65 471782.3367 478858.5649 1004116.761 7398810.173 2477113.461 5138191.835 677265.9596 4070794.994 3376858.148 1137011.989 1836417.374 3701231.063 10433961.6 610796.4351 2660622.625 6905644.271 28870764.43 750419.9271 5488763.578 7060475.248 5221555.558 3460472.949 5124936.535 2258621.009 513410.1098 3272273 5379955.446 432939.0244 1272448.725 499862.5136 346037.4522 280072.5217 580746.2849 348576.3642 370782.3661 415939.6784 330643.9977 340907.224 403540.1148 414548.7943 280027.0106 1010674.565 482185.9959 597074.2677 2089185.681 396938.5872 N(6)-Methyllysine N(6)-Methyllysine 0.618 14694329.13 161.1289 1717967.95 620694.2966 8104432.707 13386431.75 7363446.482 1601839.902 15264237.4 6567641.642 5472928.422 2391379.698 28125673.86 8940943.845 12582838.94 8248830.501 25171733.5 23121597.56 2636416.951 9854687.081 1072818.741 1162844.741 2172540.239 3408203.878 1441077.75 3074719.206 6694610.285 8750030.398 1192716.435 753700.8546 8657073.579 7724791.016 10053235.52 9262250.888 8851255.027 9083171.528 714348.2957 9274711.368 478495.8624 411544.6345 1410977.621 1539058.304 343611.6131 534036.3738 3295429.895 3509225.964 416081.4762 372668.8871 1128257.22 3172739.798 727517.2078 2882382.87 1844343.04 4275213.924 619506.6538 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 0.717 1181140.681 189.16 591830.1364 517871.3676 472367.8321 897609.5608 662900.0978 476882.5197 7713866.633 2018550.712 624535.2763 1448417.648 1653707.868 3938642.448 3976206.914 2501269.836 1372353.196 1185964.004 449736.8518 3013535.081 437970.0138 500440.4467 726473.1746 727538.8681 901619.3068 401298.8961 3385695.275 4231798.636 1096775.724 900333.5451 2508867.092 4101052.309 2391582.512 2795120.536 2323293.343 2926476.144 631719.0146 2515635.744 621674.9796 456201.4349 1228593.789 1008520.64 1343747.138 526209.0412 2323716.955 1979927.69 1365784.913 1834941.794 2587295.922 1565638.454 1265471.576 873359.0785 2422124.197 1153404.03 3637137.207 N-[(6S_9R_12S_15S_19R_20aS)-9-Benzyl-19-hydroxy-12-isobutyl-15-methyl-1_7_10_13_16-pentaoxoicosahydropyrrolo[2_1-c][1_4_7_10_13]pentaazacyclooctadecin-6-yl]-4-(2-oxo-1-pyrrolidinyl)benzamide 18.272 5970555.411 744.375 1811859.522 2701208.932 7910661.27 6896383.212 5314542.196 9810599.54 105602.6234 208568.8995 10637751.8 28411480.77 3742036.771 138287.4054 129814.5996 189664.2807 3471433.581 6374840.473 5766917.097 162010.1465 4595053.378 4544752.502 6739475.053 5037135.81 5719028.275 6747605.296 181989.6722 133079.6822 5639583.176 11569146.96 4792238.718 10883207.51 141633.9814 198673.8138 7087131.459 4686248.47 6054525.998 157270.0197 6543519.282 5724974.488 6851971.261 3848002.21 8667490.882 10263711.21 616665.4884 2710455.669 9529077.432 12129504.32 22640279.82 11597671.28 378080.7488 197021.2086 23280116.88 133967.8437 8903643.394 N-{[7_18-Dimethoxy-6_17_21-trimethyl-5_8_16_19-tetraoxo-11_21-diazapentacyclo[11.7.1.0~2_11~.0~4_9~.0~15_20~]henicosa-4(9)_6_15(20)_17-tetraen-10-yl]methyl}-2-hydroxypropanamide 16.785 9680996.492 540.2358 102416.0111 148535.6171 3418384.63 9178131.395 101492.7089 102491.4463 90244.3071 158516.3065 234203.42 329289.7188 72274.1923 131947.014 126733.3583 167889.0304 81518.6375 94129.9577 3877121.098 160295.6232 191955.3289 145560.3789 2735690.721 6943520.94 122615.9845 455361.8717 178323.0845 131052.6451 104740.8945 124008.0421 118888.0319 92585.1255 131212.1007 217240.4847 124741.5158 103651.31 233068.8503 173231.226 193780.6435 102206.0771 1032608.845 299395.3763 129604.2203 150522.389 172012.0781 120406.0135 150869.7391 127075.3729 198770.7725 107523.6293 377990.9037 200674.3971 185471.5983 180555.9011 181947.8377 N-Acetylcysteamine 1.471 16474.3198 118.0335 19524.1437 24900.5289 27895.6361 20725.5302 22394.7326 22213.5927 5903625.705 2471311.269 33308.2277 55699.6451 15955.1611 2942225.786 3740768.591 2490569.691 17268.7161 18084.9214 25023.8893 3014632.993 27836.7484 23660.7792 34240.3222 22753.2484 19430.7253 17280.3505 1854582.05 2795356.56 18541.1283 19991.464 21691.6246 20333.9951 2422541.361 1826508.179 20334.1318 18989.7088 31335.3376 2535048.669 29528.8823 24162.056 22411.7104 26253.9116 23746.3312 28755.4496 1430302.826 21751.7986 23153.1406 26005.1016 35853.58 21392.7545 1579742.889 2096509.541 36029.385 3105363.46 29866.6732 N-acetyl-L-2-aminoadipate(2-) N-Acetyl-2-aminoadipic acid 2.105 1529802.617 204.0869 1531776.857 883311.1481 700555.5993 1084211.13 690115.7564 947780.1974 1520397.064 552184.3189 781247.488 1175240.12 1248700.979 932303.0283 1303375.05 989760.5383 583106.1501 778333.979 526904.2879 1188637.747 1415923.798 1928237.87 714889.4465 1234356.78 1162924.05 2175242.236 635696.9482 1354371.618 1147137.698 1832846.718 893439.2778 565285.5922 860632.8553 503651.7294 752760.9358 1060621.054 867951.9697 837603.8044 585049.9694 434237.0738 464772.1073 679718.0964 485284.0149 433971.7544 486824.8558 390519.8931 399005.2376 491931.6961 485196.9348 372709.49 1448553.012 613340.4075 698828.723 1004803.837 464585.565 Naphthalen-1-yloxy-oxido-oxophosphanium 1.335 43391.3861 205.0054 51815.8799 68985.9184 74978.6671 54588.5655 60141.1942 63906.6327 1215073.748 746272.4215 89515.8445 145925.1421 43675.0107 999762.497 2615152.622 2306164.82 47980.5622 48079.3209 66367.4794 2668154.8 74929.7259 63871.5328 89804.3426 59929.3325 53564.0099 48909.5029 1636864.511 1907728.337 50464.2978 55302.7673 57133.1424 56507.0473 1614760.648 1587346.167 53557.6689 51265.7287 82603.8258 1522279.874 81776.0899 63639.963 59029.7622 74290.7351 63732.2846 75738.4119 1955649.268 57291.6335 61300.7277 69302.2459 93433.1949 56973.4085 199234.426 915721.6909 94897.0868 1017428.346 79914.191 N-Benzylformamide N-benzylformamide 1.277 38732318.19 136.076 53371144.29 40327702.61 26819256.28 36559165.96 27520230.99 41955296.55 68448893.26 37821682.3 22178159.09 12384739.41 25928010.79 46998878.53 55610876.8 40796055.57 20566475.41 21483151.54 28958215.32 45370394.69 35498136.45 38542568.94 20924855.55 38143372.74 19749443.7 46569695.73 32275963.64 46097183.57 20237311.3 19110477.3 18276739.4 37822481.2 29976177.32 30314852.34 18658692.17 21883707.34 12709500.69 32053121.58 8845249.481 8760222.319 21211508.76 13773029.19 5054699.608 9032872.951 9439512.612 9347804.241 7351897.769 6362024.333 7718016.577 9672452.619 15368389.55 10796118.86 15336001.04 10015803.96 12214423.41 N-Dodecyl-N-tetradecyl-β-alanine 0.67 15091410.87 454.4634 10725319.21 7018314.87 6910017.543 13852720.51 24924701.99 9459997.68 18970753.42 6132863.975 12487376.32 5601255.392 22556228.74 9370818.916 10254635.75 6065184.844 25130520.25 19739139.6 4196279.071 9113396.356 8727077.063 9265336.725 3414331.464 5098816.517 22872560.87 17745815.06 4946966.345 6312733.2 18836754.3 19366118.39 13565204.4 7918023.99 5589885.346 5138550.01 16844127.97 19060991.43 9643433.505 5485767.56 9804635.753 13377509.72 17257160.78 11439400.28 22241375.24 11366891.56 6159922.027 5311262.933 30835751.03 27165239.02 9556695.452 5890908.855 408532.2452 4617136.693 9809175.847 6613468.919 11440061.87 N-Hydroxy-1_1-di(1H-tetrazol-5-yl)methanimine 1.499 1213517.367 180.0386 6287416.864 3101867.021 7067885.605 1102177.384 41545.2809 6334338.989 35848.3929 81155.028 63668.3458 107113.9746 1492527.944 51930.426 48692.8901 66710.7996 32035.8217 665407.5369 6962653.467 58736.5848 8311649.358 6620627.698 63520.4641 3346774.49 2382535.689 1523058.496 65629.3701 47571.1268 7200464.629 40280.513 2374121.031 6461041.523 52228.0535 73725.3933 37827.7065 6807705.165 58131.3217 60925.3365 58620.6824 44823.9068 41576.7771 50525.8683 46862.4358 53345.2779 54595.9248 41104.8455 42952.2312 48836.2356 66513.2772 40981.9817 137979.1628 72416.7745 66839.4193 50831.7358 55406.7491 N-Methyl-a-aminoisobutyric acid N-Methyl-alpha-aminoisobutyric acid 1.005 43591494.07 118.0866 49520633.61 44005013.28 45770745.19 52342402.4 47192413.37 46443668.8 116918385.1 82530163.83 56144440.23 79361154.33 101506609.6 91165811.44 137980830 107438782.5 96866658.17 96291751.06 39503723.72 128848703.3 51830392.76 51365449.72 48419364.65 42614635.88 44727425.84 58297223.02 103410326.1 108033788 31263301.18 34754343.83 74359408.35 84312444.85 453297966.9 91064957.44 72220650.07 88589225.62 41786422.27 84991824.23 33946797.25 30416866.82 27619332.98 36619782.77 25233372.92 32401153.84 43397237.89 43617066.96 24807593.99 23380365.78 80916786.56 37666366.9 98687205.93 75575352.39 43862779.81 70399113.79 41124364.56 N_N′-[(1_6-Dioxo-1_6-hexanediyl)bis(2_1-hydrazinediylcarbonyl-4_1-phenylene)]dipropanamide 1.072 6679989.535 525.2477 7268961.512 4070310.543 2095026.283 5512633.677 14801424.84 3238614.43 16903450.06 4237495.685 5746970.61 1047856.739 16116765.65 9709465.135 19195361.04 8279253.632 10841852.54 10689920.14 1519555.532 11602104.17 3909907.339 5875222.177 536145.2912 2279031.126 12112658.18 10836221.93 7148897.8 14634762.91 11779015.96 11766970.29 21874742.03 10760786.9 7744789.538 6081731.838 29293359.41 36356457.17 1055465.171 5854721.472 2926834.094 7665389.031 2421874.457 1421590.263 7084984.617 4204950.395 11046034.96 11769670.32 5900507.156 6904589.367 5301652.97 11381315.68 859818.2026 10493574.9 4071206.364 22221607.34 5515684.989 N_N′-Bis[2-({3-[4-hydroxy-3_5-bis(2-methyl-2-propanyl)phenyl]propanoyl}amino)ethyl]phthalamide 1.491 40721709.25 771.5032 75551879.45 62399889.14 21336816.35 23812699.99 97704264.3 74782338.32 117822966.6 101206532.1 77355971.46 50977755.13 102239848.9 116706617.1 133859568.9 108514164 106920409 99583229.52 12441692.4 128120194.4 63046346.51 70635735.82 11702598.9 17973648.77 123352156.1 71116761.73 107746812.1 141547321.7 108433458.3 112944970.8 121938926.9 99338758.69 108862346.2 106143413.4 121134550.1 122646416.8 20436804.07 122901647.5 65318956.44 85439293.91 53293374.39 17492333.63 104635250.6 66354510.83 136971840.7 131846642.2 108252970.4 118375580.4 125669073 132757509.5 66993649.58 164712809 138671116.7 162469252.7 147078315.6 N_N′-Bis(hydroxymethyl)phosphoric triamide 1.131 284399.1014 154.038 175618.943 74489.4764 54963.7938 362518.1176 52111.3466 134762.6876 40449.7752 82915.0048 64676.6855 106741.4399 2020969.146 52805.9866 49471.0405 69198.9272 1076960.558 1260043.764 67263.3562 60460.4092 55086.841 46821.608 65831.89 275731.2006 40594.0406 267435.4488 69677.5829 49857.1061 45098.3876 40159.5267 165750.9326 674639.6057 54377.979 74047.5288 406513.5312 553188.8608 62011.9805 61456.9243 60971.1416 45845.6435 230700.854 68821.3116 47212.4892 54601.7787 56755.5411 41696.3479 44937.0559 52607.9783 69129.9919 45157.5109 146050.6078 77344.6257 68425.5557 52453.537 71953.1408 N_N-Dicyclohexyl-4-({4-[4-(dicyclohexylamino)benzoyl]piperazin-1-yl}carbonyl)benzamide 1.727 20220516.96 681.4745 20255523.47 15020344.58 10076350.6 17340911.57 12025759.34 20087757.6 18903112.9 7326862.161 8284509.583 4049635.077 14754200.79 16917275.88 11593461.46 8165429.212 13875365.47 15006012.98 13082794.51 10359191.95 16937382.91 19440566.93 11270420.22 18599282.5 21310106.8 25391667.67 7449167.411 10567246.62 20068848.02 20615693.28 13285099.46 11445282.3 15054621.36 10821638.29 15362501.87 16321885.18 10133919.02 13216439.93 13101585.31 20689596.7 13349015.14 10511637.05 21750312.69 16963533.31 13085417.6 12607672.08 23420411.33 27006606.63 13113053.09 11131145.41 2456601.097 11769944.51 13093438.83 12560385.62 14678583.32 N_N-dihexyl Sphingosine (d18:1/6:0/6:0) 0.678 33356971.62 468.479 6295403.611 4434242.329 13690637.6 29826660.66 8455906.191 6309449.293 13226215.08 4038408.156 3966254.415 2210208.715 8966694.954 5939985.267 8876330.003 5006072.089 8962308.897 8232087.075 9338370.687 7642109.377 5248916.052 5568837.847 8649111.569 13443783 10832371.41 12637560.44 3589364.755 5760394.757 9340219.149 10086769.44 4844502.15 6917581.153 4625001.356 3917247.103 6256336.652 8287415.531 8870365.977 3899992.771 5356863.284 9073398.144 13476974.68 9110340.341 8427509.732 6877487.778 4047465.819 2928942.771 12473712.66 11248575.97 4065190.334 4072663.279 424689.2015 2682208.686 4648783.677 3354069.454 5496400.165 N_N-Dimethylandrostan-1-amine 0.201 50949241.96 304.3008 23585726.06 72647559.46 25598942.01 53225287.66 57363822.72 34278052.09 23117537.63 48154986.41 81790877.83 55397945.15 34644999.44 56738392.17 58077773.6 27402579.51 45956735.86 41222705.19 61599876.05 601874317 75214565.56 24884647.37 32907284.57 59818519.57 16778922.41 51721944.44 27202137.33 63438812.06 19037115.71 56256752.17 57861064.66 25378001.3 65712066.6 32286927.14 22278686.69 49797009.8 28793831.13 75090260.48 28745565.15 63899596.49 21037290.93 25937492.58 33034075.64 26138705.25 25279162.73 58966392.59 66347213.46 21319124.53 34505343.52 20817647.76 61375370.21 99283870.66 34053616.54 65645132.69 26208248.22 N-Nitro-N′-(2_4_6-trinitrophenyl)-1_2-ethanediamine 9.574 1447544.571 315.0322 2698758.762 1148707.384 191411.3491 976851.4075 1081670.5 1500247.829 18485.756 37386.3434 246893.1502 49988.5921 5850294.4 24334.7955 24067.2972 32039.1753 4457696.065 3569816.575 293122.3414 30507.8148 661135.4144 1056327.719 74056.5289 599699.6457 943175.8674 2874214.54 31370.4398 22180.3534 850391.8055 673630.3343 3171765.505 4482195.699 25925.4143 33756.7316 3037652.339 3823531.136 37490.3158 28466.551 183186.416 730635.3729 259537.8411 69893.9305 60973.2345 299005.0317 2086110.148 2252739.715 91107.4782 125913.3455 32171.379 1985947.604 69210.1066 35665.7845 32726.0048 23824.6154 48223.5521 N-Nitrosothiazolidine-4-carboxylic acid 6.046 79434.6548 161.0022 97742.2043 126127.0794 133914.9507 101518.4722 105328.689 112441.8004 2850182.471 1490720.961 161947.085 260523.5552 77382.2269 1582634.479 2290966.539 1268880.084 83854.2776 89194.4781 121210.0747 1595951.552 135591.6087 115172.7849 167554.8832 110144.7761 95299.7205 85311.0512 639983.6811 343552.7111 92352.7848 104036.9094 104822.5634 101263.4435 1124360.554 904391.2323 96675.8349 91468.8695 154966.0584 1033544.575 146795.1923 116639.263 104459.6107 132148.9845 113865.5048 136817.806 1587748.131 102975.6562 109899.5664 127444.9417 171744.7105 106945.8872 1662841.62 2721979.805 172489.7552 3953761.524 154772.6112 N_N_N′_N′-Tetrakis(cyanomethyl)ethanediamide 0.709 50080885.36 277.1055 54365320.54 72205631.79 64806376.98 52908445.57 55060356.69 73630094.38 40752989.97 81388279.16 72990193.28 57665363.43 42781056.5 82578188.29 87635885.95 83657383.31 71687212.68 48914973.03 62584503.78 89901000.45 68203544.98 66976450.77 89297413.21 106392863.9 82625352.99 42729699.05 99833989.61 63173139.53 52537529.75 53509146.27 52604948.84 53850689.55 76420661.49 78700351.42 50297496.48 45424745.89 101099906.8 76967420.36 81567834.13 96572675.19 114268132 114661251.3 70895867.37 92751444.15 101281576.1 90246489.75 52591588.08 54823018.48 64527165.76 85703775.51 36634472.3 55317597.95 64191604.78 44524888.39 62789655.31 N_N_N′_N′-Tetramethyl-N″-(4-nitrophenyl)phosphoric triamide 0.707 53702324.28 305.137 59443772.09 58520043.63 53174433.17 57757366.46 58120921.66 58586346.18 53588193.19 65310764.41 57067520.96 54703123.25 49323489.88 62466176.06 65699791.06 66106800.44 55718081.21 50793706.81 69993765.67 75289970.06 51458013.29 54179480.53 66834430.53 72274816.63 61921419.59 53601250.78 74241212.4 76010655.2 54590126.63 59971885.27 63218624.26 64538859.51 56789753.75 64366366.05 57149239.99 55530720.92 81780046.57 59202551.71 64839116.26 73264860.08 77628906.2 87114812.95 56306493.07 69445289.62 83244971.64 79630414.12 60456657.97 58765125.77 53130004.54 65998885.54 56674578.5 58082588.04 51565332.98 53086455.35 49008118.73 Norharman beta-Carboline 1.592 4413147.072 169.0763 583692.3984 270312.1496 1671644.27 3740140.027 927352.9905 337055.7484 13940147.6 4305589.932 477154.5398 831123.6255 2279573.586 7322145.582 323361.5952 415969.0481 1974945.933 1941812.597 820831.6722 345957.2463 354304.0751 284494.2448 360845.4722 823087.2502 534153.0918 317770.4416 1623595.1 2290396.171 713186.68 645719.0327 1502319.729 2941146.391 711833.3201 1051699.043 1353225.744 1683681.141 335809.7538 674484.3011 510724.1757 794508.2964 257869.9518 339617.6883 379254.9312 310355.9492 1755742.742 1668686.771 339200.4337 300167.4339 385312.0308 1762587.134 778828.1033 425909.5583 399750.225 275047.3628 319138.7242 Norophthalmic acid Norophthalmic acid 11.861 302743.1964 276.12 65822.605 83588.6304 82269.1521 226071.46 132347.218 71429.4699 431095.9951 117918.443 104481.3819 150969.0993 4795640.502 204596.1136 396292.271 86060.7108 4427663.633 4094159.899 79288.8836 352338.467 94308.2247 74898.2371 110268.4183 195826.37 93003.0249 55364.0074 90908.153 109335.414 73982.0296 81097.9061 262178.6741 142749.4022 87570.6813 107342.5105 271572.5279 438941.7648 93397.8935 81517.3852 88210.7818 71445.4114 63713.8893 90708.388 82508.2696 80019.0326 83689.4037 70440.8456 82289.4743 69356.1858 103521.8876 60263.135 184877.5077 98439.197 111891.6082 75968.9894 110030.5338 Not named 18.186 70774.6956 744.3825 81184.9568 103642.9463 119313.1967 93985.9421 92160.6481 101231.7892 2023302.636 4127645.092 206109.6109 222349.2042 62948.9045 2683094.069 3893457.512 8545120.551 71204.4989 77194.2961 128027.9567 8233846.942 112090.1693 96238.1979 137868.864 110625.2741 77838.3661 73376.3233 3620460.402 2966858.938 84677.2877 98767.2536 92534.2656 94612.7287 4814702.883 5338782.511 90589.9236 87753.0465 125720.2903 1963886.311 124869.758 97146.3572 125905.6211 130919.4224 92910.75 117409.9696 177716.7815 112179.4176 92094.7823 106762.6717 154922.1723 87469.8744 7935880.703 4120328.399 195264.5931 3241427.103 204224.2482 NP-001346 1.091 2797052.69 298.0976 4000714.289 2633942.064 1271644.358 2595459.122 2526019.376 2361282.038 22485355.84 8629833.25 1020361.629 411374.8434 9133323.055 14385354.63 6204477.423 3038286.34 7034374.668 7377917.026 662927.4706 4389178.256 532346.5394 514978.227 363996.0419 666276.2222 1408976.149 1080937.755 2095190.226 3210874.572 2028824.919 1793277.953 3602435.761 2969582.587 5765849.465 5133692.071 3766640.277 5051072.116 327207.5582 5915613.331 246966.0355 284708.6518 744037.4576 539423.6382 427552.2337 376006.754 3143951.696 3328972.806 391408.9928 320385.1913 771424.5961 3816618.322 544709.7478 3869112.233 834024.85 5776934.238 873186.6693 N-palmitoyl-3-oxosphinganine 0.661 8816901.556 538.5212 5806459.144 3978835.812 4253522.526 8211242.358 30117186.19 5273015.406 10381680.76 3140891.441 15580739.79 8547852.89 49959578.53 5134838.454 2517160.92 1429670.807 59679032.69 48930994.41 2157603.458 2131490.243 1264183.038 1647949.27 1967549.355 2481200.602 33320758.14 2743693.404 1304043.71 2162970.839 33081301.02 35146119.18 16161665.95 2427454.061 2456770.954 2007862.914 19725235.55 23138241.02 15730929.41 2364305.885 1662186.007 3611073.893 27301831.06 18087090.76 21007467.96 2179913.269 1827031.064 1881595.736 26461281.07 26278602.79 7535124.203 1934793.087 439792.0759 2179114.965 7430840.77 2750852.82 9676619.15 Octopine Octopine 0.702 755821.1082 247.1405 5315872.609 6241532.043 4848095.018 1095165.058 1922570.913 2905724.014 59149952.46 34480122.52 5409659.5 9638589.234 10951546.3 42796167.11 25056804.45 20044294.12 10448649.16 10888235.39 2217898.592 19672407.65 5344920.039 3229349.227 5446695.249 1285501.135 1093459.472 3420756.551 15641468.54 15080557.9 528482.0292 2516360.821 13718435.65 15550231.68 12335514.76 14068270.52 11004404.51 8483392.93 3470877.253 13927303.95 3687484.946 880466.7981 1196522.046 3372302.107 2589890.403 4489416.544 1429939.553 2074462.586 2744033.272 1760303.958 4820875.518 1038635.425 11336879.57 11873076.9 6446042.912 15779891.6 4983490.136 O-Cyclopentyl hydrogen methylphosphonothioate 1.521 43810.0304 179.0299 51408.2266 65236.8208 71972.3203 53473.0412 58912.2012 57775.9966 5179245.157 2788101.831 88547.6382 148970.251 42782.0163 3927754.056 3341072.543 2821794.977 45161.7737 48237.8773 65351.5785 3446399.285 72199.6708 63981.3849 88341.9696 58704.669 51097.1087 46226.0618 2683276.51 3496990.886 49433.0535 56020.6841 56403.3449 52759.1538 2869735.736 2840649.621 52609.4093 49370.3739 80846.9448 2817392.19 81527.53 62339.4723 57823.4815 71752.6288 65174.5848 74190.6878 3352475.179 57167.136 59736.4134 67919.6745 92504.266 56996.2614 1982595.123 4703618.647 92957.8527 6222200.148 77057.7076 O-Ethyl S-propyl methylthiophosphonate 1.532 25580.121 181.0452 30016.6113 37511.7085 42023.7248 31222.2304 33736.8208 33734.6715 7336382.956 6023442.039 51701.8426 86981.8398 24979.8766 7504165.442 6571760.23 8339402.15 26014.6701 28165.4846 38157.9576 7568383.465 42156.4719 35976.987 51581.7554 34276.9115 29834.9536 26990.8111 6148896.723 5126134.023 28542.7118 32709.7668 32933.1976 30805.4006 6344194.459 7992572.79 30717.9667 28607.2808 47205.5055 6013295.552 47602.8905 36399.227 33762.3973 41029.5015 38054.6133 42018.1895 8311492.667 33379.1655 34879.334 39657.4363 54012.0674 33279.394 10941520.24 9427623.65 54276.9109 8192419.098 44738.5079 Omeprazole Related Compound B 1.568 5242536.472 179.0283 2263293.947 1912587.842 3138466.597 4564648.141 3391300.345 2257996.83 53267.7608 120589.6909 1969362.806 1732452.569 1948197.336 77164.3381 72353.6262 99126.7565 1873133.375 1871275.497 2762409.706 89183.8636 3163488.692 3890296.934 2094138.707 3108881.945 2070360.348 4786766.186 97519.8413 70688.367 1484655.82 1890608.286 1708496.873 3076786.529 78087.2263 109549.8653 1841007.357 2117648.75 3297398.624 90530.0347 1995767.179 2162516.856 1225191.027 3079804.957 1948758.872 1906973.888 81125.0499 3375129.461 2142860.227 1968678.942 1271068.531 3526665.5 205025.6775 109862.6086 1402605.471 74511.4845 1662838.095 Ophthalmic acid Ophthalmic acid 11.453 210543.7069 290.1356 98150.1409 94835.5602 75513.622 132719.5267 75548.6252 71705.3498 368180.4273 110899.606 110271.9497 187121.2018 2824819.6 82624.3416 279678.7835 84745.252 2163812.586 1977239.827 90471.4965 171392.1448 74529.7286 71998.1972 78905.9104 64753.3339 68686.6762 140229.7659 100413.4056 185646.0922 56791.2347 67001.0134 304190.7023 136763.2766 83201.7811 102989.0997 277763.5355 391026.6316 87744.8253 86630.876 100274.902 59140.9954 65527.8324 89201.4055 73626.3103 86370.5217 83334.5213 67321.4395 71143.3816 70889.199 107059.9857 66128.2921 223354.4826 101343.2077 104694.2511 128788.6234 94270.0285 Oxazine Oxazine 9.579 16946628.89 84.0448 26611404.63 18493726.47 7756141.406 13093276.6 15822301.79 19707461.8 84153355.08 23097414.65 10555554.27 9841001.724 50244754.78 39235616.94 47256817.34 23934484.36 36993912.22 31882697.95 8348089.507 33931753.35 14425405.82 15998951.32 6439170.453 13266015.65 15812789.96 27693113.73 27023007.3 41364309.51 13393050.54 12045276.24 28721072.26 35617528.45 25430302.09 19934139.35 28873907.63 34068784.69 5607340.243 24821934.52 9132082.482 14478023.33 7362982.614 5153070.359 5388199.031 8946405.982 25239564.83 22519241.9 4906322.472 6409336.757 7105309.557 23508756.12 8279970.757 14413903.23 6033686.338 26532587.69 5190290.135 P-(4-Nitrophenyl)phosphonamidic acid 6.042 236196.3419 201.007 139870.0841 79983.2216 1729115.712 9734673.906 7159399.95 71304.7308 57401.6739 131701.0901 1532765.381 164301.7116 5971130.474 80981.2084 78385.3997 109353.5779 3813085.642 2935881.348 714446.0712 96317.086 240885.2911 522074.6679 278886.0803 1614477.859 5524564.535 1586017.358 105512.5578 78184.5208 5309959.87 4193895.88 6119978.814 64215.9993 85334.0426 118842.0422 6325877.033 8372316.165 96863.9618 99186.8563 349211.0477 944422.0435 179196.3407 83802.0001 308676.8103 355851.7414 86188.7123 1093507.874 117486.1415 492303.467 120282.0014 899529.5085 229811.2965 134933.9617 108104.2214 81344.0908 97226.4293 PA(18:0/PGF1alpha) 1.424 152957468.6 777.528 147453712.7 110282017 70667963.24 116632668.1 143281802.4 139707034.1 173154014.2 62694764.82 91092268.2 35010276.8 163775150.7 122929773.2 167419920.3 97456293.54 150504384.4 156749921.7 112244914.2 144407084.5 152623528.5 175819492.2 83287535.07 159571307.5 152376888.3 201253814.3 92446268.08 155840068.8 128676760.6 120190349.1 133554579.6 128343187.1 105047015.4 74737566.8 142618599.5 160637033.1 171940177.2 97896598.03 146279036.1 209522528.7 316978131.4 215891461.4 130688181.2 147058132.4 206705238.2 202874577.8 135709801.1 165014721.4 73863432.39 217689189.1 26764544.92 201168004.2 71945856.31 269811575.4 100560642.1 Pantothenic acid Pantothenic acid 2.22 9765009.964 220.1184 2670077.586 1451365.217 4001664.29 8129258.353 1013411.642 1784346.592 3884647.355 871442.477 575871.4644 548193.9906 2638840.804 1626193.472 1850358.341 1249536.931 1616500.215 1851064.488 5426372.776 1853497.571 1763123.522 2617971.316 3336105.972 6963635.151 1642056.952 4845811.414 1633455.666 2390324.065 1584549.393 1406815.001 1736608.97 1934909.955 475818.1334 562583.8413 1616544.227 1785500.286 6087008.014 731080.6593 2012836.896 3301174.836 13376117.65 6953402.891 2468816.943 2039544.365 2007441.856 1992124.074 2670721.166 3161436.93 1785127.57 1812351.453 1060772.145 2814460.683 1060382.147 5144506.942 1679432.028 PC(14:0/20:5(5Z_8Z_11Z_14Z_17Z)) "PC 14:0/20:5(5Z,8Z,11Z,14Z,17Z)" 1.41 28323103.31 752.5243 25794375.61 21051618.9 14384908.19 24175279.22 28611106.49 27633700.26 56820722.44 25207660.69 18406353.68 5796286.103 39863903.79 44272964.47 56560987.56 31551056.97 36757644.02 38539869.81 19054293.93 46412644.5 22533713.47 26994181.33 12919706.39 24697952.38 30597821.56 29437849.55 26000380.38 44161031.35 25852269.87 24633409.42 32922660.48 35662159.15 32520534.9 22228925.94 34997387.04 39796027.21 24022531.17 29400174.46 22616353.66 29751742.6 42294214.95 30468901.72 23172962.32 24040667.94 40563720.07 43410536.5 24696579.47 28679018.98 17282556.43 47142710 5751994.216 45585560.09 14650714.85 63073977.97 19696237.02 PC(15:0/18:4(6Z_9Z_12Z_15Z)) "PC 15:0/18:4(6Z,9Z,12Z,15Z)" 2.136 96961278.09 740.5243 36522675.21 29091540.14 44854037.92 84604806.33 37030391.02 32276419.85 66490662.58 24818106.96 25226916.58 9126655.83 48702352.12 43762016.38 63486408.43 39001282.53 46070919.66 51514604.28 53043440.54 54061823.76 30505137.4 38711377.71 35258580.07 57622558.6 36598103.32 56661002.92 40407452.06 35469201.07 34716235.81 32876603.71 34375171.44 52400910.49 46011426.24 31325370.59 35602164.94 32018048.11 59337022.74 39752921.54 29911192.93 49707865.32 89075882.18 60424784.73 32455147.23 35672027.81 44655980.11 43659827.52 39934825.48 31702980.56 23235659.58 60751348.72 10134950.71 64346184.54 19632624.21 83635924.87 26554640.55 PE(22:2(13Z_16Z)/14:1(9Z)) "PE 22:2(13Z,16Z)/14:1(9Z)*" 2.64 56952824.46 742.5399 20171644.56 14381112.86 29754769.98 50942164.77 17464261.17 17793793.62 37314415.48 10773185.4 9701736.043 3300829.118 21838899 22771639.27 36966962.02 20047661.66 20742373.13 22206307.36 34737408.06 28433732.57 16108460.56 19963255.14 20304271.65 36760099.51 22911802.99 31942742.81 22745112.48 30957800.15 19507843.01 17926093.98 16861498.02 32331296.48 25532586.6 17922257.7 16825214.31 21819884.66 24999634.3 22542257.24 15469357.57 22658689.24 48585188.2 26169312.92 13659072.4 17422623.65 32881352.96 24841241.05 17535049.11 18258262.36 9967744.739 26839233.53 3089738.553 32519956.77 8399637.367 44477664.3 11510578.77 Pentadecylamine N-Pentadecylamine 0.632 13047946.63 228.2691 13847446.3 11122933.03 11412615.41 11513673.5 12440720.09 10840936.65 13813160.99 13180544.53 9946560.008 178265036.3 9198803.429 11363686.75 12069440.43 10275872.16 9503289.537 8873142.673 9437910.659 13278732.87 14928606.73 14660752.97 14037331.46 13526021.44 11063093.16 20641525.98 14356607.9 10614657.43 9727696.385 8621566.731 13107704.72 12018077.06 11767762.29 11819620.22 9935775.152 11015002.97 12580575.33 13556500 12741738.12 17906796.29 12664175.12 11544372.97 12549370.05 14755363.58 11559908.67 11104797.42 15098802.8 15231276.86 16268285.08 8566535.253 17570554.04 15246960.72 13999827.44 16573523.97 14341854.17 Pentane-3_4-Diol-5-Phosphate 0.722 59114931.62 233.0791 74073032.19 77155642.24 72987484.74 70744603.88 74293489.21 71129223.06 48689156.99 93636193 82536719.43 74267482.75 55423716.22 87699269.97 66046784.96 91116730.94 60086865.16 58994671.98 90004129.34 94950647.8 77533052.41 80359781.61 99046327.38 89335010.12 79689430.9 50940044.97 108801782.9 94402628.94 73176283.1 77950855.68 80025378.71 81324274.22 78914673.22 85923109.92 71144838.19 70490168.68 107956555.8 81865898.5 94857765.2 94513029.62 95141543.69 109622330.2 81106603.44 90753964.26 108262651.2 98957853.42 85595777.45 68441119.59 74469176.54 69604086.54 56276796.8 81516608.73 74019672.09 72821015.05 67561356 Phenyl(6_8a_10a-trimethyl-1_2_3_3a_3b_4_5_7_8_8a_8b_9_10_10a-tetradecahydrodicyclopenta[a_f]naphthalen-1-yl)methanone 1.314 11884726.84 363.2693 5751172.26 5112143.254 8811852.931 10812094.47 1662487.32 5023392.554 6838691.923 4188321.201 1828473.928 937087.8996 2029128.48 5716656.595 7121713.13 5019682.466 2157519.154 1671059.793 11114532.19 6478470.687 8505042.438 9148648.885 9576296.248 12738238.17 2659321.134 8812205.072 3151684.079 4993854.14 2771697.147 2377992.273 1441811.459 3908232.575 2475811.012 2221734.012 1355045.217 1924379.051 9712327.332 3935339.003 9285600.236 10637070.58 10076043.55 8745265.501 5522315.976 8422641.78 1152888.027 1659437.367 6733654.362 6195525.676 3404275.691 957406.4485 1297649.935 2474496.665 2962965.365 1745374.975 3287166.324 Phenylethynyl dihydrogen phosphate 8.393 447501.4629 197.001 608894.1568 508728.611 582739.8052 515210.855 534320.703 539653.1573 27866.8209 60312.6456 554934.1578 724639.4492 755115.3069 37285.0577 35192.373 49306.4109 661791.2414 662366.7006 472876.6456 45482.2986 426452.781 422809.2331 526625.7997 499859.7165 370079.2074 192857.0893 48464.9231 36691.5595 473431.1444 310926.6589 885720.9857 551066.3562 38530.9088 52843.3318 943464.9193 1032147.812 455916.3445 43512.7557 344370.0722 609133.9377 307826.8764 814779.6231 393239.3793 657508.8965 39070.1925 465382.3649 79603.7938 359925.2759 12362369.91 439563.9174 103695.8541 54542.0237 12959581.21 37888.8973 15995698.07 Phenyl phosphorodihydrazidate 0.732 30311976.51 203.0684 37359602.53 42942517.07 39870369.05 32667556.85 35401170.06 35885025.76 26579915.4 54596161.92 45183422.05 43152646.88 24299129.33 41336170.1 37743084.31 48074758.71 27297327.45 28562238.52 51214919.37 48630742.23 40725135.2 43240780.07 52841838.1 44310414.69 39380568.11 29257775.7 57514106.17 46124726.56 36136985.31 37599376.96 39246052.33 38228792.16 40798151.3 49107766.51 35299224.18 32321889.11 54519364.31 45860053.04 54680255.21 45215185.16 44241924.15 55628073.56 43512442.67 44306043.41 55172034.34 46513480.47 41463152.46 40375034.2 40315118.75 40053251.03 37175483.25 46648058.42 43858646.13 36088893.22 35270166.17 Pheophorbide a Pheophorbide a 1.458 22478081.8 593.2776 3306342.659 2697867.723 9559758.508 20049301.6 19609435.99 3457174.089 19655875.3 8726267.474 9501439.493 3496695.496 18398839.95 10541945.33 19620632.52 10994629.36 17205418.39 15075237.68 2258165.25 14986927.64 2315437.077 3560902.682 819498.0466 2752165.69 5295421.689 4839085.116 4128273.55 8113442.376 6194214.59 3917351.615 16927748.82 7340224.46 5453874.493 2871482.411 18510189.46 23156710.21 2775815.436 4931974.186 2707204.627 3768903.815 6112950.991 4216003.494 4556176.155 2992261.01 8111662.04 8064870.796 3224160.63 4735578.007 2857232.226 9170198.865 1445515.392 13773184.12 3081805.161 21283092.75 5757011.933 Phloroglucinol Phloroglucinol 2.09 14215945.78 127.0393 15299907.05 12388422.16 8152132.653 12479679.45 12743284.48 13440359.69 14427771.05 7786177.331 7394719.141 4150106.077 11726476.57 11839273.8 13750058.06 11126005.99 10658524.13 11199517.72 9230479.739 11856771.59 17593522.85 17659622.54 8602238.098 11311914.2 12826460.05 21843392.47 12063401.93 14386275.39 12055228.46 13233285.91 11288771.09 12474506.87 10961486.42 12423347.72 11440083.87 11451641.56 2680859.614 11634172.3 5314820.693 6357465.02 4277856.558 2901844.157 3878032.951 4245240.899 6038298.409 5945495.557 4051623.765 5564062.33 4192877.313 5151054.094 1322697.474 9251338.354 2839042.613 10586379.71 3773682.463 Phthalic anhydride Phthalic anhydride 0.968 928460776.6 149.0236 345316191.8 251982189 465373651.4 772186250.2 513783706 274552780.8 992813113.6 478249480.1 388030134.3 175533593 432746374.1 700346184.4 1019759383 646967111.4 395807585 384522966.3 589928157 776214673.1 875503577.7 910929418.2 466203910.4 963649995.6 755782502.7 1236316936 335899262.9 425425083.7 687596084.9 701485613.8 732112641.4 425842263.1 488913516.8 340802400.7 696362855 898643022.7 590555354.3 423139852.9 648914980.5 895090345.7 805718106.4 611681385.2 832042782.2 674107424.5 650108710.1 591295684.6 871848405.1 983531045.2 448694901.2 561538393.8 148926359.5 686478667.6 429704657.6 924411472.9 454234522.5 Phthalide Phthalide 9.996 4851116.404 133.0296 1369573.794 1580149.681 3199259.342 3926419.151 5196342.21 1418075.204 139396.2946 285565.6718 3664992.146 3590897.786 18360362.34 191781.9523 181485.25 254790.9648 13041144.93 10750460.51 1806886.987 230051.5241 1748170.424 1422638.149 1978471.546 1627906.15 2339028.862 1213069.948 249455.9833 177549.7267 2289896.997 2239909.715 5620545.609 2306094.842 200677.6234 276327.2675 5153191.393 6050396.742 1647977.723 219488.1779 1652308.012 1393585.83 1201897.36 1524176.933 1431742.564 1605193.426 1396676.855 1431172.173 1448807.428 1455122.256 2179480.676 1432949.903 525229.1624 268946.4364 2127236.022 191920.3502 1809283.827 Prenylcysteine S-Prenyl-L-cysteine 1.39 618992.8388 188.0747 817594.5486 572691.8727 261188.3591 595769.0848 415765.2244 662649.0478 21327.1192 48509.7725 176020.8894 62144.6332 1879152.207 29989.2353 29441.455 40335.7246 1364934.382 1476368.821 257304.3395 36274.1641 424548.9671 497605.8023 73607.9526 410092.4958 294279.8783 781522.0808 38831.1564 28804.5861 241941.421 159313.1437 331108.1408 3235313.5 31578.9407 43133.5737 1011177.852 1193206.245 80283.4376 35841.7691 70769.9866 259180.7437 301091.5279 185305.1354 108340.0446 66727.6645 32014.7226 1087028.029 93718.332 43079.3627 177969.2821 1131430.446 81712.7124 42876.5008 169439.4627 30734.6773 182049.1068 Prolylproline Pro-Pro 0.724 359005.6315 213.1238 1015633.417 1140310.691 757457.2846 345501.3635 2702035.161 1121169.718 8245709.496 4665014.891 1521518.166 2527479.59 3530906.464 6981622.462 8246204.436 5834693.804 2851307.467 3444330.173 771651.0938 6254801.88 1093845.521 1368832.613 1156104.75 330953.0183 495961.0693 1284053.649 3645513.456 6260364.696 359808.8909 821920.9755 14975392.15 5112661.435 8406698.521 36281235.47 11819630.18 15369946.9 800676.7251 6192780.934 1032205.605 600174.0804 503860.0216 911195.5464 428016.2452 1019805.321 6698850.343 7138715.497 449064.4585 2015196.268 737689.228 4594072.595 14711873.19 46396303.3 1073319.851 74165909.77 896538.5007 Propylphosphonothioic dichloride 8.319 59763.4911 174.9306 75933.338 92441.4717 107165.1861 75289.6492 81962.4673 83771.2346 182035757.3 477728233.3 124203.4157 201461.3843 58148.0126 274894703.6 268523791.2 384332487.7 63427.5548 67602.0452 96000.2158 343757565.4 99098.0635 87370.9276 121041.5625 79893.6376 72040.5655 66144.4006 360714000.6 267807754.3 69790.0984 77007.0326 81493.5924 78266.8784 293183078 419072461.3 73611.4813 70357.46 124788.7107 346916229.4 107805.1793 86821.6089 79339.7524 99581.0759 84456.9102 103778.5112 273787032 80060.0536 83128.3156 93639.0951 126947.3366 85822.5625 1054188211 530845624.9 131326.0349 290383294 147497.1272 PS(20:2(11Z_14Z)/22:6(5Z_8E_10Z_13Z_15E_19Z)-2OH(7S_ 17S)) 3.725 140934872.6 892.5371 4259818.432 1073248.807 67257218.29 118787798.5 136126402.7 923444.4235 239609971.2 123018479 81857191.43 19524853.75 110657212.1 167276098.7 230008014.1 76213689.56 126182586.2 136315675.9 3344634.898 218374017.2 99186763.41 124798381.5 1314740.419 5226324.379 21231094.07 154241621.2 66045938.45 92264958.28 18000022.28 10684886.93 211337527.9 88062856.85 142823182.9 126456526.5 176839936.4 207197250.6 1717937.451 132201710.4 8019953.802 24010410.27 1119280.829 1393126.434 45228991.62 6147604.287 126221687.9 114448806.1 48253784.18 44997876.38 153426663.5 123521821.8 58575412.05 270775192.4 124095526.6 395626551.1 142799244.9 Pyridoxamine Pyridoxamine 11.307 96235.8023 169.0977 139751.0839 163205.7292 175636.3581 126739.4835 140909.3493 183395.0992 125656.9131 196094.411 168773.7947 259708.6412 90771.5251 172573.2027 114521.932 196717.6572 86410.4605 118984.0423 106850.6022 173721.6041 194968.0451 143911.1044 198304.8092 175915.1153 113255.8226 85108.5258 222987.6578 133444.6334 79237.2023 126903.2681 89978.2177 111622.898 139627.8815 230763.3575 196325.0051 109216.9096 236198.3307 129948.7221 202893.439 156384.329 82819.5568 135367.0192 131233.8632 142057.8955 152543.6934 121097.4601 93089.914 147136.9828 196065.3215 333561.6231 313931.1037 739277.1492 247364.2677 149729.1915 176810.3978 Pyrrole-2_3_5-tricarboxylic acid 1.119 14491.5625 198.0038 16968.7186 22544.5319 24230.4299 17938.0157 20063.5891 19351.6113 11611887.83 1742162.475 28513.1853 48089.8861 14151.7624 4445766.691 8709113.989 4295232.272 15619.5233 16204.4085 21973.8981 6084392.647 24818.1017 20968.6156 29021.2594 19439.4952 17193.7479 18651.3644 3571405.277 7778110.727 16273.3091 18092.9456 18188.721 17301.9307 8630309.739 4267756.089 17635.6438 17509.4621 27938.063 6369963.534 27168.8502 20654.694 19303.2385 24379.2412 21144.7201 24228.3054 5256345.193 18345.7757 20243.3322 23701.3074 31144.9184 20344.6717 377671.8145 6553066.566 30639.2107 15343710.42 27466.9363 Quadricinctone B 1.136 133640.2481 253.0539 135061.1452 109469.6563 83451.2676 127314.1928 112064.4116 98698.7376 16225.2463 35212.6715 89424.5985 45331.3761 161307.8784 22071.7264 21009.5568 29221.5638 143804.6867 143302.4609 115380.8917 25216.603 108116.7789 103276.2051 38942.9134 142873.8187 222966.5235 117429.1773 28407.2122 20657.3468 168848.482 243174.3959 241612.6861 211764.3245 23093.4548 30388.7604 198449.8603 274579.7292 1001939.843 26099.7692 95929.7605 103850.9714 1249413.471 1196908.164 63451.2407 105792.9269 23541.08 143237.7581 68540.1174 95931.3207 58386.9987 141810.5323 59666.8085 31613.2634 62782.3509 21841.6866 58057.9924 S-{2-[(Diaminomethylene)amino]ethyl} hydrogen sulfurothioate 1.118 3511523.134 198.0019 11676035.51 6272501.491 2639673.536 9037080.756 8211069.58 7551772.547 16788.7835 36435.6822 2497287.117 796465.5859 8128788.791 22838.3242 21739.2632 30236.4906 6209536.512 5674745.347 5678640.907 26520.0014 8606107.975 12252071.7 2094415.256 11183349.15 10809697.95 22939383.17 30618.7073 21374.8202 11468299.15 11345373.64 6973304.119 8997400.32 23895.5394 31444.2264 6640435.395 9162261.515 3684330.501 27006.2695 5539595.764 11763578.97 12703656.17 5247826.841 13554398.48 6786821.81 24358.7115 5637869.74 15114830.89 17598348.22 4229971.212 4718854.9 61739.1631 32711.259 3489234.056 22600.2946 6576379.098 Sarmentosin Sarmentosin 12.588 5913573.645 276.1087 5480592.99 2985165.546 2415865.686 5171782.055 1328666.842 3795369.444 13069005.75 3314013.555 704689.9835 270944.0115 2043783.77 5487347.821 8559156.415 4636717.585 1935342.379 1710033.149 2763309.083 5950317.795 4198930.616 5052492.244 1877213.338 4100403.195 1293244.251 8382479.244 3038500.476 4992733.074 1307505.484 1243077.089 1591646.393 4634300.05 3336788.174 3029074.131 1869222.905 1963374.749 3546420.554 3217967.982 3258854.867 5580433.195 7010524.912 4212333.268 1116645.735 3570047.885 3136687.194 3284149.661 1067594.876 1333030.956 639882.508 3373318.448 507875.9088 3911322.9 1195571.363 7282431.853 1164336.785 (S_E)-Zearalenone 1.767 2237836.132 319.1546 2344914.13 5148793.467 10361386.51 1984675.507 6184446.586 9706857.085 1586577.376 8959694.797 7090440.674 11652352.95 2063284.213 9356742.569 3334953.838 8571160.098 4981711.683 3655276.362 8072199.565 3067256.403 4004604.121 4131432.405 8127422.304 5601816.828 4684842.274 3519471.719 5804556.958 2179097.278 6126304.107 6934645.649 4328124.068 2519803.413 4302915.858 8177293.006 6941909.159 4107484.762 8061843.518 6741904.921 7772291.102 5481182.237 3532953.055 6504853.131 4296550.476 6920159.7 8638406.145 3877676.223 5116692.192 6897600.006 6602536.8 3556930.903 23855558.08 11889630.79 9333860.777 1962317.602 6638669.811 Silyl trifluoroacetate 1.377 42676.926 142.9777 50962.7065 67850.032 72263.9851 53689.7385 59150.9405 62854.3792 21505133.67 13651467.31 88041.923 144290.6089 42955.8806 17786986.38 53123778.69 44154244.97 47190.5391 47287.6718 65274.7069 54299696.3 72111.4357 62819.8573 88699.9718 58942.5672 51131.7283 46934.4749 33653603.09 39537130.7 49633.3789 54392.1806 56192.4177 52675.4618 31797774.74 29360097.74 52675.8161 50421.6138 81243.714 29076140.54 80429.6073 62592.1004 58057.8088 73067.5024 62682.9019 74491.3424 38940634.79 56348.2992 60291.3817 67535.9969 92879.1357 56035.3139 2726403.02 17334041.33 93334.5605 20015455.87 78598.3654 SM(d19:0/18:1(12Z)-O(9S_10R)) 1.422 674009557.7 759.5982 255887031.5 238305527.3 384182334.1 558628581.8 337713939.9 291667607.4 379558956.8 199098283.8 239650428.9 86109929.02 418742345.2 265794776.4 422081935.9 259308086.7 356543863.1 348005180.1 445159121 350962209.7 323973162.9 358267077.2 347853137.1 474357721.9 376163472.7 370436361.8 242209901.8 352767495.3 297838824.2 285481698.1 302317801.6 274386927.2 301266190.1 232807471.8 311843770.8 345034972.9 493507426.9 305750416.9 390747520.5 478676256.1 399599968.5 483312005.2 427604343.5 416055629.8 370739113.4 377782968.9 432362703.4 531874279.7 301141210.7 416975103.1 61986331.61 145028775.4 298241497.8 649875814.6 386920226.1 Sodium mercaptopyruvate 3-Mercaptopyruvic acid 9.832 477027.9111 142.9768 412928.5612 640646.2115 574050.5187 365648.642 566722.3643 633478.7391 286532.9918 814031.2588 1484118.929 1312799.475 480497.2876 564073.9208 591524.7654 1054112.054 2905986.115 1640785.153 677622.4631 1031313.613 535184.0955 438250.753 739030.583 436622.1855 660852.3555 379748.7602 845914.6943 2303367.376 657216.8841 434811.0043 630693.6293 546471.2938 877901.122 1186663.267 2019810.95 343966.1056 714988.1208 668307.8986 1120723.86 807936.4732 434376.9811 764794.6051 666419.6527 678936.2686 660650.8464 594602.627 654302.7983 457457.4829 713841.6973 773447.0783 1764022.514 1040393.253 984068.8864 468063.3338 762389.2973 Spirotryprostatin G 1.144 10336154.6 444.1779 332225.5207 239372.5251 4692106.019 8780560.652 214935.0383 243529.5286 295116.2487 279005.6872 270507.2737 387227.5727 189852.818 212676.0871 249064.7087 254626.3908 195888.0299 171440.234 11878048.53 336123.8953 249530.5621 249345.9931 6908297.409 15422286.41 225888.8125 226373.254 305463.4421 271662.6352 257249.7145 241051.1212 167970.7005 210490.1366 267630.7247 326332.4539 186081.9331 201627.0263 25043694.08 251695.4258 185188.795 203436.9126 41165725.92 31652011.73 189571.5697 274977.951 217822.5956 197626.9182 283898.3894 252970.779 258161.6681 208175.6429 588243.0951 253082.9866 229263.3392 218857.4113 235188.4163 Spisulosine Spisulosine 0.658 3049221.11 286.3112 1358689.139 792082.85 931578.5784 2069488.457 573832.7023 1092152.994 3230104.507 1336088.071 292178.7368 687744.508 3637108.91 2050934.792 1526251.16 812186.2592 3578273.648 3259412.919 748916.6654 1555336.628 972767.4009 1160238.219 468383.3657 887416.6542 1048799.957 1444257.225 11862384.8 16869020.15 599539.6242 769451.3444 521773.8265 17977430.04 3386740.218 2439973.07 522891.9917 829006.5693 393281.3704 3122801.56 1799548.596 2344817.089 676461.0673 430373.3272 751180.3057 1891664.566 241301.3532 225437.0587 773831.1969 673572.168 667593.4897 442334.9051 546415.9292 981918.6443 246883.3887 768230.7398 666227.9375 Stearyldiethanolamine 0.639 300347859.7 358.3691 205944803.3 153287788.9 148103394.2 253521546.1 153181391.7 202033045.3 299418808.7 108265895.4 95430221.33 57274177.86 174761401.8 160359508.1 173264678.7 126652742.9 157793937.9 146081382.1 192186179.8 159819998.4 186273490.4 225525486 153566280.5 238854009.7 202642745.3 406021802.7 107452836.4 145295418.6 186320243.1 206768001.8 146532233.4 178829954.4 167003551.7 137011931.5 160427677.2 194445123 161973913.6 157475110.8 143986993.8 211242921 293341782.5 209182473.6 203742158.8 180523327.2 143378058.5 150004516.6 238646299.5 271434640 143375261.1 152549000.4 37199385.98 182417028.5 137825641.6 255789242.6 160556538 Subergorgiaol C 1.554 12492798.89 431.3532 14165792.68 9916467.266 5497441.842 10601765.66 3911656.715 11339353.75 8578954.456 2828102.221 1797810.885 1763473.876 8751160.002 6199625.192 7871036.584 4157608.263 7488085.915 7392904.266 21024762.57 5934352.912 3668994.914 4627626.257 15486595.85 30641328.93 12819314.79 6442546.684 4365257.091 8889262.959 11599483.44 10872505.29 1885899.217 7605313.695 5429038.751 3404018.773 1715402.565 2024687.222 28517344.39 4764179.457 8919182.183 12624185.73 50784826.82 34261889.35 13548195.28 9713920.345 3891114.023 4903333.732 13710785.45 17593850.26 820427.6005 4614976.388 2349727.021 1257574.147 1586941.839 1664392.868 1207616.137 Tetraglyme Tetraglyme 1.008 7409299.033 223.1545 8476920.237 65104238.87 76782495.03 8277284.446 54315248.68 55034472.71 30723604.86 91181694.98 89274702.58 147609051.3 33254163.32 13014704.79 12121751.14 84547928.41 39123893.65 40434584.97 14250813.99 73965246.63 18409515.14 12849300.74 88698130.69 10376198.94 46705878.33 6914441.49 76650093.89 55419585.23 8107080.798 10474340.49 11926945.19 40741021.39 62866609.77 25771207.27 8930876.842 7641568.524 21086427.15 72938613.52 19442047.8 11045738.29 8718627.908 17159980.06 14584107.97 70618669.59 13858580.8 11758741.89 13160776.17 53491828.87 94151003.23 48432173.92 191842422.5 89243712.93 102098712.3 10952110.69 79889465.17 Tetrahydro-4-(4_4_5_5-tetramethyl-1_3_2-dioxaborolan-2-yl)-2H-thiopyran 19.311 5675279.962 229.1419 6984729.269 1297716.95 1187623.933 774641.5462 1075687.081 1232350.049 768411.2524 1943508.824 1429258.57 3462938.55 769797.2551 1106959.045 1113656.938 1903596.978 890498.54 786840.2959 1454309.052 1595702.383 1280103.189 1007700.171 1643615.92 1420342.788 1107115.212 1041155.413 1540667.431 823101.5021 1028156.354 920863.4488 934643.5546 1533408.099 1289455.856 2055132.737 1020566.73 951457.029 1662760.356 1666973.712 1348514.803 1145050.1 1219507.857 1304242.431 1238873.083 1494100.579 1285190.158 1357816.093 1066245.011 975122.3784 1598069.63 1212176.035 4262039.226 1717337.695 1457721.361 1584241.081 1495187.107 thioarsorosomethane 0.671 47361303.64 122.9249 45766950.21 28932799.31 19932185.63 41830566.39 38411757.4 33739575.21 63887101.07 23807228.11 19660574.38 5149231.586 43766249.37 36609246.33 41614461.61 26956446.05 37189457.1 35177902.59 39150033.83 36627532.22 26314539.16 30857347 28874703.64 55639845.28 48703033.13 49563421.4 37471792.19 51908655.8 46703365.39 45593378.69 45961239.71 48195777.93 28951568.09 21837000.08 44333520.01 49054449.53 47788715.97 27638442.1 31433275.04 48253493.64 83310325.03 53924350.62 34895239.8 37065256.58 59066003.83 54817570.53 40610115.83 44074085.1 17811503.28 52420999.58 768610.0074 20249433.18 16401651.59 33718609.79 20569038.26 Thymol Thymol 8.072 1144030.122 151.1121 1401998.998 1386011.088 1502637.807 1396589.669 1323093.534 1703178.217 1034514.119 2109506.341 2559026.424 3860912.44 989129.5757 1594214.13 1197597.635 2249046.211 1123329.019 1351161.772 1384857.504 2055226.898 1804276.741 1829374.002 2256912.939 1383347.284 1571804.965 1061533.012 1888594.081 1744181.479 1183165.197 1390537.847 1391345.632 1170699.583 1762024.442 2217893.411 1424388.671 2528411.557 2179872.392 4342578.313 1980422.402 1457216.098 1467750.251 1568306.047 1733012.336 1689530.055 1681957.31 1315894.492 1630612.614 1780250.343 2714049.324 1307213.343 5144075.826 2356310.133 2380213.212 1160768.452 2317971.064 tilorone 1.211 11424758.26 409.248 13697514.52 12970014.53 9959165.373 11210331.25 11336284.65 11808596.8 35996.175 213521.6062 9537615.129 5365820.357 7638619.071 49752.403 46610.3051 65197.3978 7630585.429 7697413.294 13160672.22 56950.134 16080525.02 15164710.25 10403511.47 15500956.43 13072610.47 18875064.43 63139.1221 45828.9172 12835438.6 13104592.79 11550949.16 11269638.12 51233.4927 68944.8934 10229176.9 11828162.08 10711403.78 58524.0209 12746220.49 15320695.61 14250373.3 12732711.67 13164797.74 12538394.46 53473.5687 10633675.66 15091300.88 14787406.77 12633975.08 11131162.47 431787.4691 258664.9834 11440515.88 49857.9347 11854284.93 trans-3-Indoleacrylic acid trans-3-Indoleacrylic acid 1.173 163497251.9 188.071 100024643.6 84547135 99687959.44 157485303.1 47709089.44 83220641.97 135805498.9 58378475.04 24311583.57 8233161.73 31617500.03 100799586.1 147911846.6 90955406.82 24976876.19 23007975.93 121530441.5 139566384.7 82850724.78 88468258.45 79089302.95 145280569.3 28474024.59 112785127 61879003.56 86118086.75 34549334.31 31065015.23 21803698.07 69025397.27 69319093.85 59759981.91 27204555.31 25354051.31 93447462.68 58267543.3 44390414.37 60819632.69 170912782.4 118606228 9046639.492 47351032.74 19483049.02 16442722.42 11087301.13 11057205.13 6377394.238 13391001.42 1054873.007 18593854.98 4713646.458 28267545.8 6280548.706 Traumatic acid Traumatic acid 17.645 462669.432 229.1433 498431.5544 986709.6642 6125959.296 498701.9665 531007.6907 656985.4161 408328.5301 965340.7137 2680791.778 6506412.828 473364.0684 629281.0585 592736.3826 629734.1301 431264.4107 378376.4877 628640.7647 2401996.683 1702700.061 864916.4065 3913535.576 680783.167 550368.1388 516994.8472 4297917.662 662275.8046 464109.2878 556546.8537 546863.0782 583594.368 1879142.408 664235.3131 706470.8108 601004.7395 1473771.517 809773.7409 668769.5859 650015.722 2400513.548 3969108.82 564177.6248 2276516.715 597514.0482 429892.0107 502582.3537 658662.6964 1082706.663 714949.563 1609729.988 762680.9839 927551.6334 508592.0245 1024970.093 Tridecylamine Tridecylamine 0.628 17585826.84 200.2378 24242503.37 24411682 28117099.67 20080086.41 21896037.25 21973092.11 21820006.42 39856456.94 27279079.39 443748803.5 17029402.58 19969718.49 24467462.83 22814473.81 17590184.05 18199899.34 24516504.97 28857843.7 28940563.36 30735338.91 38216032.89 24956751.56 21579873.76 30667532.55 32842752.51 23949793.99 19343547.9 20212284.17 21451252.6 21931666.45 26691752.72 33789463.08 21398805.1 21194226.96 29267453.53 31964135.32 28747001.23 23485526.98 23378538.67 26502324.18 24687185.24 27186244.34 23145491.39 21946933.83 27329427.93 28240849.23 38131326.54 19437357.98 53614268.94 28026250 26283633.02 29184851.75 30176095.46 Triisopropanolamine Triisopropanolamine 0.62 70049823.21 192.1598 81066018.58 55512748.45 32230242.57 62031427.91 34119844.92 62702617.01 122913284.9 48135554.63 20093672.62 9240529.362 75003465 70219723.85 41950925.02 27240054.04 62513860.96 64015203.95 24279066.22 35255331.32 33106465.34 41340675.16 18135728.67 35034538.97 58961723.64 60020782.48 15810073.31 21625733.53 55311489.7 52090621.49 22073962.49 20712244.7 57474384.3 45240652.9 21082724.17 24703067.98 29617636.01 54852981.65 31177315.6 51781955.43 54167620.64 37512920.1 55904999.27 35519874.98 29722163.71 28701396.43 58997856.27 67043950.34 26523640.93 28236489.12 4442263.549 23761463.43 24829873.86 33307863.36 26759875.99 Trivinylphosphine oxide 1.591 84534.719 127.0314 98712.6896 37514.464 41387.7161 53636.6888 37881.1903 89253.0051 28670.0904 64904.4994 50919.3603 85665.4118 894548.8579 41531.8482 38306.1811 52529.953 813271.3826 715237.1212 52480.2552 48001.0686 53632.5901 105487.459 50801.0905 70693.7823 29383.416 198878.3902 50508.8479 38046.3126 30137.8496 32214.7203 345557.5578 186865.3397 42028.5705 58962.5789 315356.1442 367184.2962 46399.0595 48725.6127 46882.4439 35753.7427 42140.0406 41098.0454 37478.6752 41220.9208 41913.8405 69530.1389 34033.1656 39057.2403 53194.621 59646.2786 110350.1374 59130.9054 53061.9826 40104.0136 43964.0478 Tromethamine "2-Amino-2-methylol-propane-1,3-diol" 0.659 5560838.179 122.0815 9335185.995 9938476.248 3855417.604 6400439.233 8393435.784 9359741.61 10778676.3 9781309.518 9946178.783 54376081.08 5095191.424 10869436.99 8620529.223 9568934.968 7494728.787 8229395.275 7333216.007 9722883.85 8565676.037 7667503.321 8703522.766 5191368.929 6761843.875 8264874.283 6215046.755 4405455.016 7917467.468 7882846.648 6322210.432 3517657.734 5758530.77 8289284.899 5990304.756 6727424.69 7042503.751 6920650.758 13476778.92 6286571.86 6554142.65 8603955.211 12641069.63 7707876.174 8016447.552 6804948.24 15098801.29 13897526.12 9478416.37 6215459.092 15171170.47 10092359.03 11948613.25 7485852.162 8707115.058 Tyramine Tyramine 0.647 1324865.859 138.0917 1409406.14 2100369.562 799492.2841 1247076.332 2206710.236 1034518.254 1636440.67 2718101.287 3086548.179 1696977.115 1805323.725 1563126.912 2574171.325 1496058.797 1680075.808 1815540.31 1906284.721 1717661.246 1793296.202 2361919.775 3486343.923 1825448.22 1916944.068 2799510.902 3947608.297 1005294.44 2383090.272 883163.7904 2018799.136 821404.8204 1593185.674 1633263.057 3251552.409 1458705.768 1463626.798 1457447.113 1663154.366 1903409.177 474865.4114 1107355.855 2065059.269 1682722.269 1440505.855 2793445.884 2454313.624 2246978.777 2388620.798 2378083.77 981017.9817 1588909.404 1824855.45 2326794.697 1932435.054 Undecanamide 0.612 2124496.724 186.1857 5408605.904 3703920.383 1113509.026 1713704.176 3199213.951 4096503.971 8211100.064 3207998.302 1819046.019 941208.8512 1957362.697 4706145.295 7290709.553 5350106.882 1580512.256 1536852.835 1182714.257 6170675.281 2847006.678 3842593.211 1064331.668 2106472.7 5114760.036 5007386.252 373281.1122 613718.9708 5587075.362 5079283.096 1255945.019 567154.1509 2057593.943 1789184.494 1235889.478 1151804.789 2224693.724 2135543.194 2062919.002 3246032.118 2781083.178 1954779.268 3873115.076 2149123.574 2059799.855 2509704.13 5268635.86 5112980.079 2329218.002 2210836.353 816074.4422 2971028.33 2696328.449 4068790.154 2772449.958 Urocanic acid Urocanic acid 1.615 15493132.37 139.0505 11154000.72 8596778.896 9500598.746 14011806.62 8169977.649 10016159.72 15590256.09 13145823.09 8535301.947 10979118.54 7375580.349 9050392.717 8748537.735 11177821.11 6156219.319 6550914.248 7736223.145 7090348.394 13752859.37 14137039.29 8748009.645 8075160.721 7185392.953 21395586.69 7523574.85 6348057.708 7000007.696 7268063.106 10068224.63 5044670.141 12050740.42 9989825.185 6783459.902 7943296.96 7825862.384 8832817.728 8707215.057 8869914.231 9611355.784 11253254.76 8294115.519 7761345.953 9647028.719 8119264.464 9906786.298 11916266.44 13972884.32 9627498.694 13970048.15 11108606.92 14949989.89 13518530.49 15052702.42 Valyllysine Val-Lys 0.624 9842493.696 246.1817 1354540.986 1391479 5010982.659 9900284.434 14374887.85 1592924.16 7938163.391 3347599.336 10777255.86 4037496.304 31192243.09 5088338.989 5699877.467 3421894.188 27981671.84 26534191.16 1222812.31 4091359.947 1421590.408 1642727.56 922420.1285 1536358.469 1745668.412 2519290.651 2217721.608 3684684.403 1759546.99 1864515.951 9414269.205 3080124.517 3983185.435 3290722.998 8711801.549 10385704.63 645074.4104 3993712.698 365783.8942 324267.8325 548316.7473 547554.7454 1051577.713 372276.1544 1374011.965 1119975.15 823494.2641 993396.0693 3626409.277 1168562.495 888473.5333 3962038.537 3075346.22 3994873.622 3245150.567 Xestoaminol C Xestoaminol C 0.238 19627254.15 230.2484 20638287.15 26954920.27 29506880.73 19338893.11 21580169.32 16664962.87 9198446.338 18023579.81 33995416.15 36667032.75 15548079.38 17885489.87 23240026.25 34586387.17 18452251.22 17006486.35 26548040.36 18534304.79 28258573.79 23047782.09 32697999.33 22349050.9 13633327.19 12585210.36 33434586.89 18151848.41 19443484.41 20698000.6 19209265.91 20078689.77 24186898.74 35181140.41 12218466.8 18189636.13 26258688.61 27773503.98 32109333.96 14406030.1 22343639.16 27172918.98 12631866.24 29593906.61 12980029.68 21330527.59 21869568.22 23447886.15 21457245.23 20352120.98 47208565.2 37945117.34 24031767.79 23484618.82 18208178.32