0 B16R0.274 C=CCCCCCCCCCCCCC(=O)O MCULE-1403801057 [0,0,0,0,0,0|0,0,2]=2 1 B16R0.274 CCCCC=CCCCCCCCCC(=O)O MCULE-4211765208 [0,0,0,0,0,0|0,0,2]=2 2 B16R0.274 CCCCCCCCC=CCCCOC(=O)C MCULE-1762005887 [0,0,0,0,0,0|2,0,2]=4 3 B16R0.274 CCCCCCCCCCCCCCB(O)O MCULE-3614309342 [0,0,0,0,0,0|1,0,1]=2 4 B16R0.274 CCCCCCCCCCCCCCC(=O)C MCULE-2580004145 [0,0,0,0,0,0|1,0,0]=1 5 B16R0.274 CCCCCCCCCCCCCCC(=O)Cl MCULE-8745106680 [0,0,0,0,0,0|1,0,0]=1 6 B16R0.274 CCCCCCCCCCCCCCC(=O)N MCULE-6897989236 [0,0,0,0,0,0|1,0,0]=1 7 B16R0.274 CCCCCCCCCCCCCCC(=O)O MCULE-3630464562 [0,0,0,0,0,0|0,0,0]=0 8 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [0,0,0,0,0,0|1,0,1]=2 9 B16R0.274 CCCCCCCCCCCCCCN(=O)=O MCULE-8122338188 [0,0,0,0,0,0|1,0,1]=2 10 B16R0.274 CCCCCCCCCCCCCCN(C)C MCULE-1169700979 [0,0,0,0,0,0|3,0,0]=3 11 B16R0.274 CCCCCCCCCCCCCOB(O)O MCULE-6853722078 [0,0,0,0,0,0|2,0,1]=3 12 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [0,0,0,0,0,0|2,0,0]=2 13 B16R0.274 CCCCCCCCCCCCNCC(=O)O MCULE-7069020402 [0,0,0,0,0,0|1,0,0]=1 14 B16R0.274 CCCCCCCCCCCCOCC(=O)O MCULE-5186628423 [0,0,0,0,0,0|1,0,0]=1 15 B16R0.274 CCCCCCCCCCCCSCC(=O)O MCULE-8937853494 [0,0,0,0,0,0|1,0,0]=1 16 B16R0.274 CCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2182837845 [0,0,0,0,0,0|1,0,0]=1 17 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-2947320698 [0,0,0,0,0,0|1,0,0]=1 18 B16R0.274 CCCCCCCCCCNCCCC(=O)O MCULE-5076653771 [0,0,0,0,0,0|1,0,0]=1 19 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-1456754521 [0,0,0,0,0,0|4,0,0]=4 20 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-3136429452 [0,0,0,0,0,0|4,0,0]=4 21 B16R0.274 CCCCCCCCCCSCCSC(=N)N MCULE-3465361400 [0,0,0,0,0,0|4,0,0]=4 22 B16R0.274 COCCOCCOCCOCCCC(=O)O MCULE-1510792205 [0,0,0,0,0,0|4,0,0]=4 23 B16R0.274 N#N=NCCCCCCCCCCCC(=O)O MCULE-2436331538 [0,0,0,0,0,0|3,0,0]=3 24 B16R0.274 NCCCCCCCCCCCCCC(=O)O MCULE-6805237317 [0,0,0,0,0,0|1,0,0]=1 25 B16R0.274 O=C(O)CCCCCCCCCCCCCBr MCULE-6321854023 [0,0,0,0,0,0|1,0,0]=1 26 B16R0.274 O=C(O)CCCCCCCCCCCCCO MCULE-2388869238 [0,0,0,0,0,0|1,0,0]=1 27 B16R0.274 O=C(O)CCCCCCCCCCCCCS MCULE-3340350604 [0,0,0,0,0,0|1,0,0]=1 28 B15R0.70 BrCCCCCCCCCCCCCCBr MCULE-6889376040 [1,0,0,0,0,0|2,0,1]=4 29 B15R0.70 C#CCCCCCCCCCCCCCC MCULE-8004044828 [1,0,0,0,0,0|1,0,1]=3 30 B15R0.70 C#CCCCCCCCCCCCCCO MCULE-6688649818 [1,0,0,0,0,0|0,0,3]=4 31 B15R0.70 C=CCCCCCCCCCCCCCBr MCULE-2396015907 [1,0,0,0,0,0|2,0,0]=3 32 B15R0.70 C=CCCCCCCCCCCCCCC MCULE-4969847612 [1,0,0,0,0,0|1,0,0]=2 33 B15R0.70 C=CCCCCCCCCCCCCCO MCULE-1065498044 [1,0,0,0,0,0|2,0,0]=3 34 B15R0.70 CCCCCCCCCCCCCCC#N MCULE-8488724666 [1,0,0,0,0,0|1,0,1]=3 35 B15R0.70 CCCCCCCCCCCCCCC=O MCULE-3290991576 [1,0,0,0,0,0|0,0,0]=1 36 B15R0.70 CCCCCCCCCCCCCCCBr MCULE-8425641825 [1,0,0,0,0,0|1,0,1]=3 37 B15R0.70 CCCCCCCCCCCCCCCC MCULE-6113174809 [1,0,0,0,0,0|1,0,1]=3 38 B15R0.70 CCCCCCCCCCCCCCCI MCULE-3840639439 [1,0,0,0,0,0|1,0,1]=3 39 B15R0.70 CCCCCCCCCCCCCCCN MCULE-1378870281 [1,0,0,0,0,0|1,0,1]=3 40 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [1,0,0,0,0,0|0,0,1]=2 41 B15R0.70 CCCCCCCCCCCCCCCS MCULE-7681133186 [1,0,0,0,0,0|0,1,1]=3 42 B15R0.70 CCCCCCCCCCCCCNCC MCULE-7261878767 [1,0,0,0,0,0|2,0,1]=4 43 B15R0.70 CCCCCCCCCCCCNCCC MCULE-2378403543 [1,0,0,0,0,0|2,0,1]=4 44 B15R0.70 CCCCCCCCCCCCNCCO MCULE-1636811846 [1,0,0,0,0,0|1,0,1]=3 45 B15R0.70 CCCCCCCCCCCCOCCCl MCULE-9177808600 [1,0,0,0,0,0|2,0,1]=4 46 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [1,0,0,0,0,0|1,0,1]=3 47 B15R0.70 CCCCCCCCCCCCSCCN MCULE-9926172507 [1,0,0,0,0,0|2,0,1]=4 48 B15R0.70 CCCCCCCCCCCCSCCO MCULE-7138907549 [1,0,0,0,0,0|1,0,1]=3 49 B15R0.70 CCCCCCCCCCCNCCCC MCULE-4441534633 [1,0,0,0,0,0|2,0,1]=4 50 B15R0.70 CCCCCCCCCCCNCCCO MCULE-1917257904 [1,0,0,0,0,0|1,0,1]=3 51 B15R0.70 CCCCCCCCCCOCCCCO MCULE-2477857106 [1,0,0,0,0,0|1,0,1]=3 52 B15R0.70 CCCCCCCCNCCCCCCC MCULE-1117954596 [1,0,0,0,0,0|2,0,1]=4 53 B15R0.70 CCCCCCCCOCCCCCCO MCULE-7610355921 [1,0,0,0,0,0|1,0,1]=3 54 B15R0.70 CNCCCCCCCCCCCCNC MCULE-7856760950 [1,0,0,0,0,0|3,0,0]=4 55 B15R0.70 NCCCCCCCCCCCCCCN MCULE-7594246043 [1,0,0,0,0,0|2,0,1]=4 56 B15R0.70 NCCCCCCCCCCCCCCO MCULE-2816059720 [1,0,0,0,0,0|1,0,1]=3 57 B15R0.70 OCCCCCCCCCCCCCCBr MCULE-7763469638 [1,0,0,0,0,0|1,0,1]=3 58 B15R0.70 OCCCCCCCCCCCCCCO MCULE-9200527284 [1,0,0,0,0,0|1,0,1]=3 59 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC MCULE-4353484799 [1,0,0,0,0,0|2,0,1]=4 60 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC MCULE-8141295559 [1,0,0,0,0,0|2,0,1]=4 61 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [1,0,0,0,0,0|0,0,2]=3 62 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [1,0,0,0,0,0|2,0,0]=3 63 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [1,0,0,0,0,0|3,0,0]=4 64 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [1,0,0,0,0,0|0,0,2]=3 65 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [1,0,0,0,0,0|0,0,2]=3 66 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [1,0,0,0,0,0|0,0,2]=3 67 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [1,0,0,0,0,0|0,0,2]=3 68 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [1,0,0,0,0,0|1,0,0]=2 69 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [1,0,0,0,0,0|1,0,0]=2 70 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [1,0,0,0,0,0|1,0,0]=2 71 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [1,0,0,0,0,0|0,0,0]=1 72 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [1,0,0,0,0,0|0,0,1]=2 73 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [1,0,0,0,0,0|0,0,1]=2 74 B15R0.164 CCCCCCCCCCCCCC(C)C MCULE-2845003178 [1,0,0,0,0,0|2,0,1]=4 75 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-3926449131 [1,0,0,0,0,0|3,0,0]=4 76 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-7807646855 [1,0,0,0,0,0|3,0,0]=4 77 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-9225437546 [1,0,0,0,0,0|3,0,0]=4 78 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [1,0,0,0,0,0|2,0,0]=3 79 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [1,0,0,0,0,0|2,0,0]=3 80 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [1,0,0,0,0,0|2,0,0]=3 81 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [1,0,0,0,0,0|2,0,0]=3 82 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [1,0,0,0,0,0|1,2,0]=4 83 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [1,0,0,0,0,0|1,2,0]=4 84 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-1172582046 [1,0,0,0,0,0|3,0,0]=4 85 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-6001885776 [1,0,0,0,0,0|3,0,0]=4 86 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-8803922937 [1,0,0,0,0,0|3,0,0]=4 87 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [1,0,0,0,0,0|1,0,0]=2 88 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [1,0,0,0,0,0|1,0,0]=2 89 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [1,0,0,0,0,0|1,0,0]=2 90 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [1,0,0,0,0,0|1,0,0]=2 91 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [1,0,0,0,0,0|1,0,0]=2 92 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [1,0,0,0,0,0|1,0,0]=2 93 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [1,0,0,0,0,0|1,0,0]=2 94 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [1,0,0,0,0,0|1,0,0]=2 95 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [1,0,0,0,0,0|1,0,0]=2 96 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [1,0,0,0,0,0|1,0,0]=2 97 B15R0.164 N#N=NCCCCCCCCCCC(=O)O MCULE-2957741079 [1,0,0,0,0,0|3,0,0]=4 98 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [1,0,0,0,0,0|1,0,0]=2 99 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [1,0,0,0,0,0|1,0,0]=2 100 B15R0.164 O=CNCCCCCCCCCCC(=O)O MCULE-3600316275 [1,0,0,0,0,0|2,0,1]=4 101 B15R0.164 O=N(=O)CCCCCCCCCCCCBr MCULE-4250276660 [1,0,0,0,0,0|2,0,1]=4 102 B15R0.164 O=N(=O)CCCCCCCCCCCCO MCULE-2840091029 [1,0,0,0,0,0|2,0,1]=4 103 B17R0.43 C#CCCCCC=CCCCCCCCC(=O)O MCULE-1049304823 [0,1,0,0,0,0|0,0,3]=4 104 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O MCULE-4134557983 [0,1,0,0,0,0|0,0,1]=2 105 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [0,1,0,0,0,0|0,0,1]=2 106 B17R0.43 C/C=C/CCCCCCCCCCCOC(=O)C MCULE-7955168231 [0,1,0,0,0,0|1,0,2]=4 107 B17R0.43 C/C=C\CCCCCCCCCCCOC(=O)C MCULE-7310879607 [0,1,0,0,0,0|1,0,2]=4 108 B17R0.43 C=C(C)CCCCCCCCCCCCCCC MCULE-5834819134 [0,1,0,0,0,0|2,0,0]=3 109 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O MCULE-8140028401 [0,1,0,0,0,0|0,0,1]=2 110 B17R0.43 CC(C)CCCCCCCCCCCCCCO MCULE-8255040422 [0,1,0,0,0,0|2,0,1]=4 111 B17R0.43 CC/C=C/CCCCCCCCCCOC(=O)C MCULE-2310057958 [0,1,0,0,0,0|1,0,2]=4 112 B17R0.43 CC/C=C\CCCCCCCCCCOC(=O)C MCULE-7183538783 [0,1,0,0,0,0|1,0,2]=4 113 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C MCULE-4294509038 [0,1,0,0,0,0|1,0,2]=4 114 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C MCULE-2778068630 [0,1,0,0,0,0|1,0,2]=4 115 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [0,1,0,0,0,0|0,0,1]=2 116 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C MCULE-7849945627 [0,1,0,0,0,0|1,0,2]=4 117 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [0,1,0,0,0,0|0,0,1]=2 118 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [0,1,0,0,0,0|1,0,1]=3 119 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [0,1,0,0,0,0|1,0,1]=3 120 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [0,1,0,0,0,0|0,0,1]=2 121 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [0,1,0,0,0,0|0,0,2]=3 122 B17R0.43 CCCCCCCCC#CC#CCCCC(=O)O MCULE-1066730588 [0,1,0,0,0,0|0,0,3]=4 123 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)O MCULE-5806437824 [0,1,0,0,0,0|0,0,1]=2 124 B17R0.43 CCCCCCCCC/C=C\CCCCC(=O)[O-] MCULE-6515937092 [0,1,0,0,0,0|0,0,2]=3 125 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O MCULE-9907029105 [0,1,0,0,0,0|0,0,1]=2 126 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O MCULE-6678867297 [0,1,0,0,0,0|0,0,1]=2 127 B17R0.43 CCCCCCCCCC=CCCCCC(=O)[O-] MCULE-8329798146 [0,1,0,0,0,0|0,0,2]=3 128 B17R0.43 CCCCCCCCCCCCC/C=C/C(=O)O MCULE-9949483894 [0,1,0,0,0,0|0,0,1]=2 129 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O MCULE-7063165347 [0,1,0,0,0,0|0,0,1]=2 130 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O MCULE-1309002877 [0,1,0,0,0,0|0,0,1]=2 131 B17R0.43 CCCCCCCCCCCCCCCC(=O)C MCULE-2820432182 [0,1,0,0,0,0|1,0,0]=2 132 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl MCULE-2299274236 [0,1,0,0,0,0|1,0,0]=2 133 B17R0.43 CCCCCCCCCCCCCCCC(=O)N MCULE-9133427571 [0,1,0,0,0,0|1,0,0]=2 134 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [0,1,0,0,0,0|0,0,0]=1 135 B17R0.43 CCCCCCCCCCCCCCCC(=O)S MCULE-8215136457 [0,1,0,0,0,0|0,1,0]=2 136 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-2906724981 [0,1,0,0,0,0|0,0,1]=2 137 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-3645136442 [0,1,0,0,0,0|0,0,1]=2 138 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] MCULE-9097304670 [0,1,0,0,0,0|0,0,1]=2 139 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [0,1,0,0,0,0|1,0,1]=3 140 B17R0.43 CCCCCCCCCCCCCCCN(C)C MCULE-9254230166 [0,1,0,0,0,0|3,0,0]=4 141 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [0,1,0,0,0,0|1,0,0]=2 142 B17R0.43 CCCCCCCCCCCCNCCC(=O)O MCULE-6849446767 [0,1,0,0,0,0|0,0,0]=1 143 B17R0.43 CCCCCCCCCCCCSCCC(=O)N MCULE-2326780267 [0,1,0,0,0,0|1,0,0]=2 144 B17R0.43 CCCCCCCCCCCCSCCC(=O)O MCULE-1413456430 [0,1,0,0,0,0|0,0,0]=1 145 B17R0.43 CCCCCCCCSCCCCCCC(=O)O MCULE-3418202255 [0,1,0,0,0,0|0,0,0]=1 146 B17R0.43 NCCCCCCCCCCCCCCC(=O)O MCULE-8397983958 [0,1,0,0,0,0|0,0,0]=1 147 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr MCULE-4704611362 [0,1,0,0,0,0|0,0,0]=1 148 B17R0.43 O=C(O)CCCCCCCCCCCCCCO MCULE-9603867941 [0,1,0,0,0,0|0,0,0]=1 149 B17R0.78 CCCCCCCC(=O)CCCCCCC(=O)O MCULE-7169706634 [0,1,0,0,0,0|0,0,1]=2 150 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)O MCULE-5659315671 [0,1,0,0,0,0|1,0,1]=3 151 B17R0.78 CCCCCCCC(=O)NCCCCCC(=O)[O-] MCULE-7862819548 [0,1,0,0,0,0|1,0,2]=4 152 B17R0.78 CCCCCCCC(O)CCCCCCC(=O)O MCULE-7939156653 [0,1,0,0,0,0|0,0,0]=1 153 B17R0.116 C=C(C)CC(C)CCCCCCCCCCCC MCULE-6821563173 [0,1,0,0,0,0|2,0,0]=3 154 B17R0.116 CCCCCCCCCCCOC(=O)CC(=O)C MCULE-7110064872 [0,1,0,0,0,0|2,0,1]=4 155 B17R0.139 CCCCCCC(=O)CCCCCCCC(=O)O MCULE-6444361858 [0,1,0,0,0,0|0,0,1]=2 156 B17R0.139 CCCCCCC(O)CCCCCCCC(=O)O MCULE-7282521786 [0,1,0,0,0,0|0,0,0]=1 157 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O MCULE-6143868562 [0,1,0,0,0,0|1,0,1]=3 158 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[O-] MCULE-5889398964 [0,1,0,0,0,0|1,0,2]=4 159 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)O MCULE-7840259089 [0,1,0,0,0,0|1,0,1]=3 160 B17R0.195 CCCCC=CCCCCCCCCC(=O)OC MCULE-1513743756 [0,1,0,0,0,0|0,0,2]=3 161 B17R0.195 CCCCCCCCCCCCCCC(=NO)C MCULE-2159182766 [0,1,0,0,0,0|1,0,0]=2 162 B17R0.195 CCCCCCCCCCCCCCC(=O)CBr MCULE-8800475521 [0,1,0,0,0,0|1,0,0]=2 163 B17R0.195 CCCCCCCCCCCCCCC(=O)OC MCULE-6875676125 [0,1,0,0,0,0|0,0,0]=1 164 B17R0.195 CCCCCCCCCCCCCCC(Br)CBr MCULE-8539019349 [0,1,0,0,0,0|2,0,1]=4 165 B17R0.195 CCCCCCCCCCCCCCC(C)CBr MCULE-4513816631 [0,1,0,0,0,0|2,0,1]=4 166 B17R0.195 CCCCCCCCCCCCCCC(Cl)CCl MCULE-1931696042 [0,1,0,0,0,0|2,0,1]=4 167 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-1144393791 [0,1,0,0,0,0|1,0,1]=3 168 B17R0.195 CCCCCCCCCCCCCCC(N)CO MCULE-5825082970 [0,1,0,0,0,0|1,0,1]=3 169 B17R0.195 CCCCCCCCCCCCCCC(O)CN MCULE-9897370432 [0,1,0,0,0,0|1,0,1]=3 170 B17R0.195 CCCCCCCCCCCCCCC(O)CO MCULE-2636575508 [0,1,0,0,0,0|0,0,2]=3 171 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO MCULE-3808241334 [0,1,0,0,0,0|0,0,2]=3 172 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CO MCULE-8633813799 [0,1,0,0,0,0|0,0,2]=3 173 B17R0.195 CCCCCCCCCCCCOCC(O)CO MCULE-5273465880 [0,1,0,0,0,0|1,0,2]=4 174 B17R0.195 NNC(=O)CCCCCCCCCCOCCO MCULE-9137674819 [0,1,0,0,0,0|3,0,0]=4 175 B17R0.197 CCCCCCCCCCCCCCC(C)(C)O MCULE-2166606818 [0,1,0,0,0,0|1,0,1]=3 176 B17R0.197 CCCCCCCCCCCCCCN(=O)(C)C MCULE-3156806835 [0,1,0,0,0,0|2,0,0]=3 177 B17R0.197 CCCCCCCCCCCCCCP(=O)(C)C MCULE-8360621046 [0,1,0,0,0,0|2,0,0]=3 178 B17R0.197 CCCCCCCCCCCCCCP(=O)(O)O MCULE-4571824808 [0,1,0,0,0,0|1,0,0]=2 179 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2130157408 [0,1,0,0,0,0|1,0,1]=3 180 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-2309434065 [0,1,0,0,0,0|1,0,1]=3 181 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C MCULE-4219317823 [0,1,0,0,0,0|3,0,0]=4 182 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C MCULE-6081426921 [0,1,0,0,0,0|3,0,0]=4 183 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C MCULE-7552016777 [0,1,0,0,0,0|3,0,0]=4 184 B17R0.197 CCCCCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-8023095279 [0,1,0,0,0,0|2,1,0]=4 185 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-6601401599 [0,1,0,0,0,0|2,0,1]=4 186 B17R0.197 CCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9455261518 [0,1,0,0,0,0|2,0,1]=4 187 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)O MCULE-2951365808 [0,1,0,0,0,0|0,0,1]=2 188 B17R0.256 CCCC(O)CCCCCCCCCCC(=O)O MCULE-9353561307 [0,1,0,0,0,0|0,0,0]=1 189 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O MCULE-9380859811 [0,1,0,0,0,0|1,0,1]=3 190 B17R0.1713 CC(=O)CCCCCCCCCCCCC(=O)C MCULE-2549585763 [0,1,0,0,0,0|1,0,1]=3 191 B17R0.1713 CC(=O)CCCCCCCCCCCCC(C)O MCULE-7245064176 [0,1,0,0,0,0|1,0,0]=2 192 B17R0.1713 CC(C)CCCCCCC=CCCCCC(=O)O MCULE-6535472157 [0,1,0,0,0,0|0,0,2]=3 193 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O MCULE-2401625440 [0,1,0,0,0,0|0,0,0]=1 194 B17R0.1713 NC(=O)CCCCCCCCCCCCC(=O)N MCULE-9876010340 [0,1,0,0,0,0|2,0,1]=4 195 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O MCULE-4147611614 [0,1,0,0,0,0|1,0,1]=3 196 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)O MCULE-8828861735 [0,1,0,0,0,0|0,0,1]=2 197 B17R0.8801 CCCCCCCCCC(O)CCCCC(=O)O MCULE-5501959746 [0,1,0,0,0,0|0,0,0]=1 198 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O MCULE-3254150931 [0,1,0,0,0,0|0,0,0]=1 199 B17R0.14363 CCC(C)CCCCC/C=C\CCCCC(=O)O MCULE-7592205580 [0,1,0,0,0,0|0,0,2]=3 200 B17R1.451 O=C(O)CCCCCCNC1CCCCC1O MCULE-9633666775 [0,0,0,1,0,0|2,0,0]=3 201 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 MCULE-6947527863 [0,0,0,1,0,0|1,0,0]=2 202 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 MCULE-5431997913 [0,0,0,1,0,0|1,0,0]=2 203 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-1430680475 [0,0,0,1,0,0|1,0,2]=4 204 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-8227436556 [0,0,0,1,0,0|1,0,2]=4 205 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [0,0,0,1,0,0|0,0,0]=1 206 B17R1.16233 O=C(O)CCC1CCCCCCCCCCC1 MCULE-2797848894 [0,0,0,1,0,0|0,0,0]=1 207 B17R1.29093 CCCCCCCCCCCCCCC1CO1 MCULE-4791898371 [0,0,0,1,0,0|1,0,1]=3 208 B17R1.29093 CCCCCCCCCCCCOCC1CO1 MCULE-5256966261 [0,0,0,1,0,0|2,0,1]=4 209 B14R0.392 C#CCCCCCCCCCCCCC MCULE-5224279000 [2,0,0,0,0,0|0,0,2]=4 210 B14R0.392 C(=CCCCCCCCCO)CCCC MCULE-7344947468 [2,0,0,0,0,0|0,0,2]=4 211 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [2,0,0,0,0,0|1,0,1]=4 212 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [2,0,0,0,0,0|0,0,1]=3 213 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [2,0,0,0,0,0|0,0,2]=4 214 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [2,0,0,0,0,0|1,0,1]=4 215 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [2,0,0,0,0,0|0,0,2]=4 216 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [2,0,0,0,0,0|0,0,2]=4 217 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [2,0,0,0,0,0|0,0,2]=4 218 B14R0.392 CCC#CCCCCCCCCCCO MCULE-8364905746 [2,0,0,0,0,0|0,0,2]=4 219 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [2,0,0,0,0,0|0,0,2]=4 220 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [2,0,0,0,0,0|0,0,2]=4 221 B14R0.392 CCCC/C=C\CCCCCCCCO MCULE-2201463992 [2,0,0,0,0,0|0,0,2]=4 222 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [2,0,0,0,0,0|0,0,2]=4 223 B14R0.392 CCCCCCCC/C=C/CCCCO MCULE-8626799878 [2,0,0,0,0,0|0,0,2]=4 224 B14R0.392 CCCCCCCC/C=C\CCCCO MCULE-7811688274 [2,0,0,0,0,0|0,0,2]=4 225 B14R0.392 CCCCCCCCC=CCCCCO MCULE-3595383050 [2,0,0,0,0,0|0,0,2]=4 226 B14R0.392 CCCCCCCCCCC#CCCO MCULE-7991598519 [2,0,0,0,0,0|0,0,2]=4 227 B14R0.392 CCCCCCCCCCCCCC#N MCULE-7152326235 [2,0,0,0,0,0|1,0,1]=4 228 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [2,0,0,0,0,0|0,0,0]=2 229 B14R0.392 CCCCCCCCCCCCCCBr MCULE-9737491714 [2,0,0,0,0,0|1,0,0]=3 230 B14R0.392 CCCCCCCCCCCCCCC MCULE-1292711626 [2,0,0,0,0,0|0,0,1]=3 231 B14R0.392 CCCCCCCCCCCCCCCl MCULE-4738230795 [2,0,0,0,0,0|1,0,0]=3 232 B14R0.392 CCCCCCCCCCCCCCF MCULE-9767518415 [2,0,0,0,0,0|1,0,0]=3 233 B14R0.392 CCCCCCCCCCCCCCN MCULE-8592595177 [2,0,0,0,0,0|1,0,0]=3 234 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [2,0,0,0,0,0|0,0,0]=2 235 B14R0.392 CCCCCCCCCCCCCCS MCULE-5679876747 [2,0,0,0,0,0|0,1,0]=3 236 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-4777104073 [2,0,0,0,0,0|1,0,1]=4 237 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-6540647325 [2,0,0,0,0,0|1,0,1]=4 238 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [2,0,0,0,0,0|1,0,1]=4 239 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [2,0,0,0,0,0|1,0,0]=3 240 B14R0.392 CCCCCCCCCCCCNCC MCULE-6669418249 [2,0,0,0,0,0|1,0,1]=4 241 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [2,0,0,0,0,0|1,0,0]=3 242 B14R0.392 CCCCCCCCCCCCSCC MCULE-3847929623 [2,0,0,0,0,0|1,0,1]=4 243 B14R0.392 CCCCCCCCCCCNCCC MCULE-2740020624 [2,0,0,0,0,0|1,0,1]=4 244 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [2,0,0,0,0,0|1,0,0]=3 245 B14R0.392 CCCCCCCCCCOCCCN MCULE-5521116196 [2,0,0,0,0,0|2,0,0]=4 246 B14R0.392 CCCCCCCCCCOCCC[NH3+] MCULE-4032173132 [2,0,0,0,0,0|2,0,0]=4 247 B14R0.392 CCCCCCCCCCSCCCO MCULE-8768496784 [2,0,0,0,0,0|1,0,0]=3 248 B14R0.392 CCCCCCCCCNCCCCC MCULE-6073560034 [2,0,0,0,0,0|1,0,1]=4 249 B14R0.392 CCCCCCCCC[NH2+]CCCCC MCULE-8442579178 [2,0,0,0,0,0|1,0,1]=4 250 B14R0.392 CCCCCCCCNCCCCCC MCULE-1148069991 [2,0,0,0,0,0|1,0,1]=4 251 B14R0.392 CCCCCCCCOCCOCCO MCULE-1601729359 [2,0,0,0,0,0|2,0,0]=4 252 B14R0.392 CCCCCCCCSCCOCCO MCULE-7061985127 [2,0,0,0,0,0|2,0,0]=4 253 B14R0.392 CCCCCCCNCCCCCCC MCULE-8281252980 [2,0,0,0,0,0|1,0,1]=4 254 B14R0.392 CCCCCCCOCCCCCCC MCULE-7411737646 [2,0,0,0,0,0|1,0,1]=4 255 B14R0.392 CCCCCCCSCCCCCCC MCULE-8546717040 [2,0,0,0,0,0|1,0,1]=4 256 B14R0.392 OCCCCCCCCCCCCCBr MCULE-1397457487 [2,0,0,0,0,0|1,0,0]=3 257 B14R0.392 OCCCCCCCCCCCCCO MCULE-9763203178 [2,0,0,0,0,0|1,0,0]=3 258 B14R0.392 [NH2+](CC)CCCCCCCCCCCC MCULE-2677553062 [2,0,0,0,0,0|1,0,1]=4 259 B14R0.392 [NH2+](CCC)CCCCCCCCCCC MCULE-1566613456 [2,0,0,0,0,0|1,0,1]=4 260 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [2,0,0,0,0,0|0,0,2]=4 261 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [2,0,0,0,0,0|2,0,0]=4 262 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [2,0,0,0,0,0|0,0,2]=4 263 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [2,0,0,0,0,0|0,0,2]=4 264 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [2,0,0,0,0,0|0,0,2]=4 265 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [2,0,0,0,0,0|1,0,1]=4 266 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [2,0,0,0,0,0|1,0,0]=3 267 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [2,0,0,0,0,0|0,0,0]=2 268 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [2,0,0,0,0,0|1,0,1]=4 269 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [2,0,0,0,0,0|1,0,1]=4 270 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [2,0,0,0,0,0|2,0,0]=4 271 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [2,0,0,0,0,0|2,0,0]=4 272 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [2,0,0,0,0,0|1,0,0]=3 273 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [2,0,0,0,0,0|1,0,0]=3 274 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [2,0,0,0,0,0|1,0,1]=4 275 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [2,0,0,0,0,0|1,0,0]=3 276 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [2,0,0,0,0,0|1,0,0]=3 277 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [2,0,0,0,0,0|1,0,0]=3 278 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [2,0,0,0,0,0|1,0,0]=3 279 B16R0.61 C=CCC(C)CCCCCCCCCCCC MCULE-1583125717 [1,1,0,0,0,0|1,0,0]=3 280 B16R0.61 CCCCCCCCCCCCC(O)CCC MCULE-2703285953 [1,1,0,0,0,0|1,0,1]=4 281 B16R0.61 CCCCCCCCCCCCC(O)CCO MCULE-9666170119 [1,1,0,0,0,0|0,0,1]=3 282 B16R0.136 CCCCCCCCC(O)CCCCCCC MCULE-4042759886 [1,1,0,0,0,0|1,0,1]=4 283 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-6569333741 [1,1,0,0,0,0|0,0,1]=3 284 B16R0.221 CCCCCCCCCCCCCC(N)CO MCULE-9950796518 [1,1,0,0,0,0|0,0,1]=3 285 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [1,1,0,0,0,0|1,0,1]=4 286 B16R0.303 BrCCCCCCCCCCCCCCCBr MCULE-7690331860 [1,1,0,0,0,0|1,0,1]=4 287 B16R0.303 C#CCCCCCCCCCCCCCCC MCULE-1536008008 [1,1,0,0,0,0|1,0,1]=4 288 B16R0.303 C=CCCCCCCCCCCCCCCBr MCULE-4098921493 [1,1,0,0,0,0|1,0,0]=3 289 B16R0.303 C=CCCCCCCCCCCCCCCC MCULE-3016072683 [1,1,0,0,0,0|1,0,0]=3 290 B16R0.303 CCCC/C=C/CCCCCCCCCCO MCULE-5377938706 [1,1,0,0,0,0|0,0,2]=4 291 B16R0.303 CCCC/C=C\CCCCCCCCCC=O MCULE-7543337765 [1,1,0,0,0,0|0,0,1]=3 292 B16R0.303 CCCC/C=C\CCCCCCCCCCO MCULE-6615475789 [1,1,0,0,0,0|0,0,2]=4 293 B16R0.303 CCCCC#CCCCCCCCCCCO MCULE-7633083833 [1,1,0,0,0,0|0,0,2]=4 294 B16R0.303 CCCCC/C=C/CCCCCCCCC=O MCULE-7710373986 [1,1,0,0,0,0|0,0,1]=3 295 B16R0.303 CCCCC=CCCCCCCCCCC=O MCULE-5668746450 [1,1,0,0,0,0|0,0,1]=3 296 B16R0.303 CCCCC=CCCCCCCCCCCO MCULE-9055680228 [1,1,0,0,0,0|0,0,2]=4 297 B16R0.303 CCCCCC=CCCCCCCCCC=O MCULE-6918532041 [1,1,0,0,0,0|0,0,1]=3 298 B16R0.303 CCCCCCC=CCCCCCCCC=O MCULE-4206989660 [1,1,0,0,0,0|0,0,1]=3 299 B16R0.303 CCCCCCC=CCCCCCCCCO MCULE-2420123615 [1,1,0,0,0,0|0,0,2]=4 300 B16R0.303 CCCCCCCCC#CCCCCCCO MCULE-7786778206 [1,1,0,0,0,0|0,0,2]=4 301 B16R0.303 CCCCCCCCCCCCCC=CC=O MCULE-7601303988 [1,1,0,0,0,0|0,0,1]=3 302 B16R0.303 CCCCCCCCCCCCCCCC#N MCULE-6973931298 [1,1,0,0,0,0|1,0,1]=4 303 B16R0.303 CCCCCCCCCCCCCCCC=O MCULE-1337115097 [1,1,0,0,0,0|0,0,0]=2 304 B16R0.303 CCCCCCCCCCCCCCCCBr MCULE-7970004064 [1,1,0,0,0,0|1,0,1]=4 305 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [1,1,0,0,0,0|1,0,1]=4 306 B16R0.303 CCCCCCCCCCCCCCCCCl MCULE-6806630762 [1,1,0,0,0,0|1,0,1]=4 307 B16R0.303 CCCCCCCCCCCCCCCCI MCULE-7905733232 [1,1,0,0,0,0|1,0,1]=4 308 B16R0.303 CCCCCCCCCCCCCCCCN MCULE-2718073245 [1,1,0,0,0,0|1,0,1]=4 309 B16R0.303 CCCCCCCCCCCCCCCCO MCULE-9457426256 [1,1,0,0,0,0|0,0,1]=3 310 B16R0.303 CCCCCCCCCCCCCCCCS MCULE-4288584728 [1,1,0,0,0,0|0,1,1]=4 311 B16R0.303 CCCCCCCCCCCCCCN=C=O MCULE-4145501681 [1,1,0,0,0,0|0,0,1]=3 312 B16R0.303 CCCCCCCCCCCCCCN=C=S MCULE-4782187367 [1,1,0,0,0,0|0,1,1]=4 313 B16R0.303 CCCCCCCCCCCCNCCC#N MCULE-6886809138 [1,1,0,0,0,0|1,0,1]=4 314 B16R0.303 CCCCCCCCCCCCNCCCN MCULE-3001697150 [1,1,0,0,0,0|1,0,1]=4 315 B16R0.303 CCCCCCCCCCCCOCCC#N MCULE-9018423352 [1,1,0,0,0,0|1,0,1]=4 316 B16R0.303 CCCCCCCCCCCCOCCCN MCULE-9349081748 [1,1,0,0,0,0|1,0,1]=4 317 B16R0.303 CCCCCCCCCCCCSCCCO MCULE-5140051072 [1,1,0,0,0,0|0,0,1]=3 318 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-3589394033 [1,1,0,0,0,0|1,0,1]=4 319 B16R0.303 CCCCCCCCCCCC[NH2+]CCCC MCULE-8680690151 [1,1,0,0,0,0|1,0,1]=4 320 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-2363035840 [1,1,0,0,0,0|1,0,1]=4 321 B16R0.303 CCCCCCCCCCCC[NH2+]CCCCl MCULE-9418570773 [1,1,0,0,0,0|1,0,1]=4 322 B16R0.303 CCCCCCCCCCNCCOCCO MCULE-8259765985 [1,1,0,0,0,0|1,0,1]=4 323 B16R0.303 CCCCCCCCCCOCCOCCO MCULE-7547044004 [1,1,0,0,0,0|1,0,1]=4 324 B16R0.303 CCCCCCCCCCSCCOCCO MCULE-8507672081 [1,1,0,0,0,0|1,0,1]=4 325 B16R0.303 CCCCCCCCNCCCCCCCC MCULE-4493002162 [1,1,0,0,0,0|1,0,1]=4 326 B16R0.303 CCCCCCCCOCCCCCCCC MCULE-1626708169 [1,1,0,0,0,0|1,0,1]=4 327 B16R0.303 CCCCCCCCSCCCCCCCC MCULE-5901093421 [1,1,0,0,0,0|1,0,1]=4 328 B16R0.303 CCCCCCCCSCCCCCCCO MCULE-8968963881 [1,1,0,0,0,0|0,0,1]=3 329 B16R0.303 OCCCCCCCCCCCCCCCBr MCULE-4806172404 [1,1,0,0,0,0|0,0,1]=3 330 B16R0.303 OCCCCCCCCCCCCCCCO MCULE-2337452795 [1,1,0,0,0,0|0,0,1]=3 331 B16R0.303 [NH3+]CCCOCCCCCCCCCCCC MCULE-9082677353 [1,1,0,0,0,0|1,0,1]=4 332 B16R0.661 CCCCCCCCCCCC(O)CCCC MCULE-2652447421 [1,1,0,0,0,0|1,0,1]=4 333 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-7858117314 [1,1,0,0,0,0|1,0,1]=4 334 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-9070141209 [1,1,0,0,0,0|1,0,1]=4 335 B16R0.41 CCCC(O)CCCCCCCCCC(=O)O MCULE-1937957199 [1,1,0,0,0,0|0,0,0]=2 336 B16R0.131 CCCCC(=O)CCCCCCCCC(=O)O MCULE-7754358047 [1,1,0,0,0,0|0,0,1]=3 337 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O MCULE-5323254369 [1,1,0,0,0,0|0,0,0]=2 338 B16R0.165 CCC(C)CCCCCCCCCCC(=O)O MCULE-7822234238 [1,1,0,0,0,0|0,0,0]=2 339 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O MCULE-6272236651 [1,1,0,0,0,0|0,0,0]=2 340 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O MCULE-4901379479 [1,1,0,0,0,0|1,0,1]=4 341 B16R0.177 CCCCCCC(=O)CCCCCCC(=O)O MCULE-4503353213 [1,1,0,0,0,0|0,0,1]=3 342 B16R0.177 CCCCCCC(O)CCCCCCC(=O)O MCULE-5389070847 [1,1,0,0,0,0|0,0,0]=2 343 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O MCULE-5819916240 [1,1,0,0,0,0|0,0,0]=2 344 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C MCULE-3149404714 [1,1,0,0,0,0|1,0,0]=3 345 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O MCULE-3088988040 [1,1,0,0,0,0|0,0,0]=2 346 B16R0.224 CCCCCCCCCCCCC(O)C(=O)O MCULE-8369309534 [1,1,0,0,0,0|0,0,0]=2 347 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O MCULE-9531094866 [1,1,0,0,0,0|0,0,0]=2 348 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-2434900409 [1,1,0,0,0,0|1,0,0]=3 349 B16R0.224 CCCCCCCCCCC[NH2+]C(C)C(=O)O MCULE-7471369626 [1,1,0,0,0,0|1,0,0]=3 350 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)O MCULE-3004334687 [1,1,0,0,0,0|1,0,1]=4 351 B16R0.302 CCCCCCCCCCCC(C)CC(=O)O MCULE-2991345155 [1,1,0,0,0,0|0,0,0]=2 352 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O MCULE-4756542974 [1,1,0,0,0,0|0,0,0]=2 353 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O MCULE-1246941080 [1,1,0,0,0,0|0,0,0]=2 354 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-1966618277 [1,1,0,0,0,0|1,0,1]=4 355 B16R0.1188 CCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-3533610819 [1,1,0,0,0,0|1,0,1]=4 356 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-1145207013 [1,1,0,0,0,0|2,0,0]=4 357 B16R0.1188 CCCCCCCCCCCCOP(=O)(O)O MCULE-3170213829 [1,1,0,0,0,0|2,0,0]=4 358 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O MCULE-8121446012 [1,1,0,0,0,0|2,0,0]=4 359 B16R0.1188 O=P(O)(O)CCCCCCCCCCCCS MCULE-8515448412 [1,1,0,0,0,0|2,0,0]=4 360 B16R0.1469 CCCCCC(=O)CCCCCCCC(=O)O MCULE-6359730553 [1,1,0,0,0,0|0,0,1]=3 361 B16R0.1469 CCCCCC(O)CCCCCCCC(=O)O MCULE-4062514314 [1,1,0,0,0,0|0,0,0]=2 362 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O MCULE-8026963437 [1,1,0,0,0,0|0,0,1]=3 363 B16R0.1820 CCCCCCCCC(O)CCCCC(=O)O MCULE-6832728953 [1,1,0,0,0,0|0,0,0]=2 364 B16R0.1820 CCCCCCCCS(=O)CCCCC(=O)O MCULE-4893444874 [1,1,0,0,0,0|1,0,0]=3 365 B16R0.3183 CCCCCCCCCCS(=O)CCC(=O)O MCULE-1262811260 [1,1,0,0,0,0|1,0,0]=3 366 B16R0.3288 CC(=O)CCCCCCCCCCCC(=O)O MCULE-6923186337 [1,1,0,0,0,0|0,0,1]=3 367 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O MCULE-7323844658 [1,1,0,0,0,0|0,0,0]=2 368 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O MCULE-3635113821 [1,1,0,0,0,0|0,0,0]=2 369 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O MCULE-8192564811 [1,1,0,0,0,0|1,0,1]=4 370 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)O MCULE-2196708286 [0,2,0,0,0,0|0,0,0]=2 371 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)O MCULE-6527680066 [0,2,0,0,0,0|0,0,1]=3 372 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)[O-] MCULE-3747645937 [0,2,0,0,0,0|0,0,2]=4 373 B18R0.233 CCCCCCCCCCCC(O)CCCC(=O)O MCULE-4006524511 [0,2,0,0,0,0|0,0,0]=2 374 B18R0.233 CCCCCCCCCCNC(=O)CCCC(=O)O MCULE-4924756110 [0,2,0,0,0,0|0,0,1]=3 375 B18R0.233 CCCCCCCCCCNC(=O)CSCC(=O)O MCULE-5757635793 [0,2,0,0,0,0|1,0,1]=4 376 B18R0.17284 CCCCCCCCCCS(=O)(=O)NCCC(=O)O MCULE-8978282854 [0,2,0,0,0,0|2,0,0]=4 377 B18R0.2 C#CCC[C@@H](O)CCCCCCCCCCC(=O)O MCULE-9936742038 [0,2,0,0,0,0|0,0,1]=3 378 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)O MCULE-5402764711 [0,2,0,0,0,0|0,0,0]=2 379 B18R0.2 CCCCC(O)CCCCCCCCCCC(=O)O MCULE-4787616333 [0,2,0,0,0,0|0,0,0]=2 380 B18R0.94 CCCCCCCCC(=O)CCCCCCC(=O)O MCULE-4094625577 [0,2,0,0,0,0|0,0,0]=2 381 B18R0.94 CCCCCCCCC(=O)NCCCCCC(=O)O MCULE-9192966196 [0,2,0,0,0,0|0,0,1]=3 382 B18R0.94 CCCCCCCCC(O)CCCCCCC(=O)O MCULE-2101826940 [0,2,0,0,0,0|0,0,0]=2 383 B18R0.114 CCC(=O)CCCCCCCCCCCCC(=O)O MCULE-9117657777 [0,2,0,0,0,0|0,0,0]=2 384 B18R0.114 CCC(C)CCCCCCCCCCCCC(=O)O MCULE-8200495932 [0,2,0,0,0,0|0,0,0]=2 385 B18R0.114 CCC(O)CCCCCCCCCCCCC(=O)O MCULE-4792995027 [0,2,0,0,0,0|0,0,0]=2 386 B18R0.114 COC(=O)CCCCCCCCCCCCC(=O)O MCULE-5601908216 [0,2,0,0,0,0|0,0,1]=3 387 B18R0.114 COC(=O)CCCCCCCCCCCCC(C)C MCULE-3466358320 [0,2,0,0,0,0|0,0,0]=2 388 B18R0.127 CCCCCCC(=O)CCCCCCCCC(=O)O MCULE-2041137649 [0,2,0,0,0,0|0,0,0]=2 389 B18R0.127 CCCCCCC(O)CCCCCCCCC(=O)O MCULE-1427500455 [0,2,0,0,0,0|0,0,0]=2 390 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC MCULE-8432213938 [0,2,0,0,0,0|1,0,0]=3 391 B18R0.171 CCCCCC/C=C/CCCCCCCC(=O)OC MCULE-3684696083 [0,2,0,0,0,0|0,0,1]=3 392 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)OC MCULE-8655264522 [0,2,0,0,0,0|0,0,1]=3 393 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC MCULE-5533097898 [0,2,0,0,0,0|0,0,1]=3 394 B18R0.171 CCCCCCCCC=CCCCCCC(=O)OC MCULE-7280995327 [0,2,0,0,0,0|0,0,1]=3 395 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC MCULE-9243465329 [0,2,0,0,0,0|1,0,0]=3 396 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN MCULE-7345615974 [0,2,0,0,0,0|1,0,0]=3 397 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC MCULE-2282587787 [0,2,0,0,0,0|0,0,0]=2 398 B18R0.171 CCCCCCCCCCCCCCOC(=O)CCl MCULE-3654885097 [0,2,0,0,0,0|1,0,0]=3 399 B18R0.171 COC(=O)CCCCCCCCCCCCCCBr MCULE-4104671169 [0,2,0,0,0,0|0,0,0]=2 400 B18R0.171 COC(=O)CCCCCCCCCCCCCCO MCULE-7795037428 [0,2,0,0,0,0|0,0,0]=2 401 B18R0.171 NNC(=O)CCCCCCCCCCCCCCO MCULE-3879943616 [0,2,0,0,0,0|1,0,0]=3 402 B18R0.174 C=C(C)C(=O)OCCCCCCCCCCCCC MCULE-5658213549 [0,2,0,0,0,0|2,0,0]=4 403 B18R0.174 CCCCCCCCCCCCCCC(Br)C(=O)O MCULE-7613431163 [0,2,0,0,0,0|0,0,0]=2 404 B18R0.174 CCCCCCCCCCCCCCC(C)C(=O)O MCULE-9301579624 [0,2,0,0,0,0|0,0,0]=2 405 B18R0.174 CCCCCCCCCCCCCCC(Cl)C(=O)O MCULE-6086981032 [0,2,0,0,0,0|0,0,0]=2 406 B18R0.174 CCCCCCCCCCCCCCC(F)C(=O)O MCULE-4249541245 [0,2,0,0,0,0|0,0,0]=2 407 B18R0.174 CCCCCCCCCCCCCCC(N)C(=O)O MCULE-9580133307 [0,2,0,0,0,0|0,0,0]=2 408 B18R0.174 CCCCCCCCCCCCCCC(O)C(=O)O MCULE-6572346778 [0,2,0,0,0,0|0,0,0]=2 409 B18R0.176 C=C(C)CCCCCCCCCCCCCCCC MCULE-1892085325 [0,2,0,0,0,0|2,0,0]=4 410 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O MCULE-9537148876 [0,2,0,0,0,0|0,0,0]=2 411 B18R0.176 CCCCC#CC#CCCCCCCCCC(=O)O MCULE-6550858106 [0,2,0,0,0,0|0,0,2]=4 412 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [0,2,0,0,0,0|0,0,0]=2 413 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [0,2,0,0,0,0|0,0,0]=2 414 B18R0.176 CCCCCCCCCCCCC#CC#CC(=O)O MCULE-1512095111 [0,2,0,0,0,0|0,0,2]=4 415 B18R0.176 CCCCCCCCCCCCCCCCB(O)O MCULE-2099476935 [0,2,0,0,0,0|1,0,1]=4 416 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl MCULE-4774205698 [0,2,0,0,0,0|1,0,0]=3 417 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N MCULE-8756975449 [0,2,0,0,0,0|1,0,0]=3 418 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [0,2,0,0,0,0|0,0,0]=2 419 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] MCULE-4806292195 [0,2,0,0,0,0|0,0,1]=3 420 B18R0.176 CCCCCCCCCCCCCCCCN(=O)=O MCULE-7589734060 [0,2,0,0,0,0|1,0,1]=4 421 B18R0.176 CCCCCCCCCCCCCCCOC(=O)C MCULE-8455635595 [0,2,0,0,0,0|1,0,0]=3 422 B18R0.176 CCCCCCCCCCCCCCNCC(C)O MCULE-3623779879 [0,2,0,0,0,0|1,0,1]=4 423 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O MCULE-6925387619 [0,2,0,0,0,0|0,0,0]=2 424 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2691784276 [0,2,0,0,0,0|0,0,0]=2 425 B18R0.176 CCCCCCCCCCCCCC[NH2+]CC(=O)O MCULE-2883416094 [0,2,0,0,0,0|0,0,0]=2 426 B18R0.176 CCCCCCCCCCCCSCCCC(=O)N MCULE-1673663174 [0,2,0,0,0,0|1,0,0]=3 427 B18R0.176 N#N=NCCCCCCCCCCCCCC(=O)O MCULE-3818253579 [0,2,0,0,0,0|1,0,0]=3 428 B18R0.176 NCCCCCCCCCCCCCCCC(=O)O MCULE-5669844918 [0,2,0,0,0,0|0,0,0]=2 429 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr MCULE-3555817163 [0,2,0,0,0,0|0,0,0]=2 430 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO MCULE-5601308035 [0,2,0,0,0,0|0,0,0]=2 431 B18R0.176 O=C(O)CCCCCCCCCCCCCCCS MCULE-2534249442 [0,2,0,0,0,0|0,0,0]=2 432 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)O MCULE-4345458910 [0,2,0,0,0,0|1,0,0]=3 433 B18R0.182 CCCCCCCCCCCCCCCS(=O)(=O)[O-] MCULE-7486286746 [0,2,0,0,0,0|1,0,1]=4 434 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7712284852 [0,2,0,0,0,0|1,0,1]=4 435 B18R0.182 CCCCCCCCCCCCCCOS(=O)(=O)[O-] MCULE-9060828083 [0,2,0,0,0,0|1,0,1]=4 436 B18R0.220 CCCCCCCCCCCCCC(C)CC(=O)O MCULE-9201250713 [0,2,0,0,0,0|0,0,0]=2 437 B18R0.220 CCCCCCCCCCCCCC(O)CC(=O)O MCULE-1445414038 [0,2,0,0,0,0|0,0,0]=2 438 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)C MCULE-4548996828 [0,2,0,0,0,0|1,0,1]=4 439 B18R0.220 CCCCCCCCCCCCOC(=O)CC(=O)C MCULE-8506863437 [0,2,0,0,0,0|1,0,1]=4 440 B18R0.974 CC(=O)CCCCCCCCCCCCCC(=O)O MCULE-8858221579 [0,2,0,0,0,0|0,0,0]=2 441 B18R0.974 CC(C)CCCCCCCCCCCCCC(=O)O MCULE-3535493212 [0,2,0,0,0,0|0,0,0]=2 442 B18R0.974 CC(O)CCCCCCCCCCCCCC(=O)O MCULE-7879329822 [0,2,0,0,0,0|0,0,0]=2 443 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O MCULE-8634297667 [0,2,0,0,0,0|0,0,1]=3 444 B18R0.3137 CCCCCC(=O)CCCCCCCCCC(=O)O MCULE-9840407759 [0,2,0,0,0,0|0,0,0]=2 445 B18R0.3137 CCCCCC(O)CCCCCCCCCC(=O)O MCULE-6108684848 [0,2,0,0,0,0|0,0,0]=2 446 B18R0.7250 CCCCCCCC(O)CCCCCCCC(=O)O MCULE-8074086209 [0,2,0,0,0,0|0,0,0]=2 447 B18R0.7250 NCCCCCCC(=O)NCCCCCCC(=O)O MCULE-1141722295 [0,2,0,0,0,0|1,0,1]=4 448 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)O MCULE-5972830914 [0,2,0,0,0,0|0,0,0]=2 449 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)O MCULE-3993965301 [0,2,0,0,0,0|0,0,1]=3 450 B18R0.11628 CCCCCCCCCC(O)CCCCCC(=O)O MCULE-3341656452 [0,2,0,0,0,0|0,0,0]=2 451 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)O MCULE-9081502044 [0,2,0,0,0,0|0,0,0]=2 452 B18R0.17430 CCCCCCCCCCC(O)CCCCC(=O)O MCULE-4244489011 [0,2,0,0,0,0|0,0,0]=2 453 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)O MCULE-1164053278 [0,2,0,0,0,0|0,0,0]=2 454 B18R0.19183 CCCCCCCCCCCCC(O)CCC(=O)O MCULE-1162659693 [0,2,0,0,0,0|0,0,0]=2 455 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O MCULE-9382415406 [0,2,0,0,0,0|0,0,0]=2 456 B18R0.19354 CCCC(=O)CCCCCCCCCCCC(=O)O MCULE-9036223737 [0,2,0,0,0,0|0,0,0]=2 457 B18R0.19354 CCCC(O)CCCCCCCCCCCC(=O)O MCULE-1240513762 [0,2,0,0,0,0|0,0,0]=2 458 B18R0.19354 CCOC(=O)CCCCCCCCCCCC(=O)O MCULE-9620750911 [0,2,0,0,0,0|0,0,1]=3 459 B18R0.3148 O=C(O)CCCCCCCCCCC(O)CC(=O)O MCULE-7765672957 [0,2,0,0,0,0|1,0,1]=4 460 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)O MCULE-6723704643 [0,2,0,0,0,0|1,0,1]=4 461 B18R0.13761 CC(C)(CCCCCCCCCCCN)NC(=O)O MCULE-8913973799 [0,2,0,0,0,0|2,0,0]=4 462 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)N MCULE-7535935984 [0,2,0,0,0,0|2,0,0]=4 463 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)N MCULE-7918674848 [0,2,0,0,0,0|2,0,0]=4 464 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] MCULE-7072729295 [0,2,0,0,0,0|1,0,1]=4 465 B18R0.959 NC(CCCCCCCC(=O)O)CCCCC(=O)O MCULE-1199941308 [0,2,0,0,0,0|1,0,1]=4 466 B18R0.208 CCOC(=O)C(C)CCCCCCCCCC(=O)O MCULE-4180440100 [0,2,0,0,0,0|1,0,1]=4 467 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(=O)O MCULE-3092016059 [0,2,0,0,0,0|1,0,1]=4 468 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O MCULE-4299477309 [0,2,0,0,0,0|1,0,1]=4 469 B18R0.186 [C@@H](C)(NC(=O)CCCCCCCCCCC)C(=O)O MCULE-4484734060 [0,2,0,0,0,0|1,0,1]=4 470 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC MCULE-3321531994 [0,2,0,0,0,0|0,0,0]=2 471 B18R0.110 CCCCCCCCCCCCCCC(=O)OCCl MCULE-7954802898 [0,2,0,0,0,0|0,0,0]=2 472 B18R0.110 CCCCCCCCCCCCCCC(O)CCO MCULE-1422813299 [0,2,0,0,0,0|0,0,2]=4 473 B18R0.110 CCCCCCCCCCCCNCC(=O)OCC MCULE-5933972937 [0,2,0,0,0,0|1,0,0]=3 474 B18R0.189 CCCCCCCCCCCCCC(O)C(N)CO MCULE-8867265089 [0,2,0,0,0,0|1,0,1]=4 475 B18R0.15765 CCC(C)CCCCCCCCCCCC(=O)OC MCULE-2500826954 [0,2,0,0,0,0|0,0,0]=2 476 B18R0.15765 COC(=O)CCCCCCCCCCCC(=O)OC MCULE-6815093379 [0,2,0,0,0,0|1,0,1]=4 477 B18R0.19358 CCCCCCCCCCCCCCS(=O)(=O)NN MCULE-7110906866 [0,2,0,0,0,0|1,0,1]=4 478 B16R1.402 CC1CCCCCCCCCCCOC1=O MCULE-1334028238 [1,0,0,1,0,0|1,0,0]=3 479 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O MCULE-7240766244 [1,0,0,1,0,0|1,0,0]=3 480 B16R1.643 CCCCCCCCCCC1CCCCC1 MCULE-8880875536 [1,0,0,1,0,0|1,0,1]=4 481 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [1,0,0,1,0,0|0,0,0]=2 482 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [1,0,0,1,0,0|2,0,0]=4 483 B16R1.8816 OC1CCCCCCCCCCCCCC1 MCULE-1220726144 [1,0,0,1,0,0|0,0,1]=3 484 B16R1.17455 CCCCCCCCCCCCCC1CO1 MCULE-2516429313 [1,0,0,1,0,0|0,0,1]=3 485 B16R1.17455 CCCCCCCCCCCCC[C@@H]1CO1 MCULE-5745331369 [1,0,0,1,0,0|0,0,1]=3 486 B16R1.17455 CCCCCCCCCCCOC[C@H]1CO1 MCULE-6089454831 [1,0,0,1,0,0|1,0,1]=4 487 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 MCULE-8938614477 [1,0,0,1,0,0|0,0,0]=2 488 B16R1.596 O=C(O)CCCCCCOC1CCCCO1 MCULE-1769872572 [1,0,0,1,0,0|2,0,0]=4 489 B16R1.642 CCCCCCCCC=C[C@H]1CCC(=O)O1 MCULE-1925789551 [1,0,0,1,0,0|0,0,2]=4 490 B16R1.3904 CCCCCCCC1CCCC1CC(=O)O MCULE-5962401066 [1,0,0,1,0,0|0,0,0]=2 491 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 MCULE-3880635347 [1,0,0,1,0,0|1,0,0]=3 492 B16R1.18167 CC(O)CC1CCCCCCCCCCC1 MCULE-7920074213 [1,0,0,1,0,0|1,0,1]=4 493 B16R1.20337 CCCCCCCCCCC1CC1C(=O)O MCULE-6448726765 [1,0,0,1,0,0|0,0,0]=2 494 B18R1.17255 O=C(O)CCC1CCCCCCCCCCC1=O MCULE-5718207273 [0,1,0,1,0,0|0,0,1]=3 495 B18R1.40557 C1(N[C@@H](CS1)C(=O)O)CCCCCCCCCC MCULE-7962321959 [0,1,0,1,0,0|1,0,0]=3 496 B18R1.1108 CCCCCCCCCCCC1CCCC(=O)O1 MCULE-4181955666 [0,1,0,1,0,0|0,0,0]=2 497 B18R1.1108 CCCCCCCCCCC[C@@H]1CCCC(=O)O1 MCULE-8640131781 [0,1,0,1,0,0|0,0,0]=2 498 B18R1.1108 CCCCCCCCCCC[C@H]1CCCC(=O)O1 MCULE-6071532102 [0,1,0,1,0,0|0,0,0]=2 499 B18R1.1260 CCCCCCCCCCCCC1CCC(=O)O1 MCULE-3673972153 [0,1,0,1,0,0|0,0,0]=2 500 B18R1.13791 O=C1CCCCC=CCCCCCCCCCO1 MCULE-9481617554 [0,1,0,1,0,0|0,0,1]=3 501 B18R1.13791 O=C1CCCCCCCC=CCCCCCCO1 MCULE-4229154614 [0,1,0,1,0,0|0,0,1]=3 502 B18R1.13791 O=C1CCCCCCCCCCCCCCCO1 MCULE-4312908702 [0,1,0,1,0,0|0,0,0]=2 503 B18R1.13791 O=C1CCCCCCCCCCOCCCCO1 MCULE-7856753337 [0,1,0,1,0,0|0,0,0]=2 504 B18R1.13791 O=C1CCCCCCCCCOCCCCCO1 MCULE-8174650004 [0,1,0,1,0,0|0,0,0]=2 505 B18R1.20697 O=C(O)CCCCCCCCCCC1CCCO1 MCULE-1461492082 [0,1,0,1,0,0|0,0,0]=2 506 B18R1.10573 CCCCCCNC(=O)C1CCCCC1C(=O)O MCULE-7772009037 [0,1,0,1,0,0|1,0,1]=4 507 B18R1.156483 O=C1CCCCCCCCC(=O)OCCCCO1 MCULE-8772814596 [0,1,0,1,0,0|1,0,1]=4 508 B18R1.1843 CC1CCCCCCCCCCCCCOC1=O MCULE-8629194941 [0,1,0,1,0,0|0,0,0]=2 509 B18R1.1843 O=C1CCCCCCCCCCCCCCC1O MCULE-2328305728 [0,1,0,1,0,0|0,0,0]=2 510 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCC1 MCULE-1923893741 [0,1,0,1,0,0|0,0,1]=3 511 B18R1.101472 O=C1CCCCCCCCCCC(=O)OCCO1 MCULE-8287547839 [0,1,0,1,0,0|1,0,1]=4 512 B18R1.101472 O=C1CCCCCCCCCCC(CCCO1)O MCULE-8958889325 [0,1,0,1,0,0|0,0,0]=2 513 B18R2.556536 O=C(O)CCSCC1CCCN2C1CCCC2 MCULE-3538047202 [0,0,0,2,0,0|2,0,0]=4 514 B18R2.556536 [C@H]12CCCCN1CCC[C@H]2CSCCC(=O)O MCULE-5345927246 [0,0,0,2,0,0|2,0,0]=4