0 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,0,0,0,0,0|2,0,0]=2 2 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,0,0,0,0,0|2,0,0]=2 6 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,0,0,0,0,0|1,0,0]=1 10 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,0,0,0,0,0|1,0,0]=1 11 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,0,0,0,0,0|1,0,0]=1 12 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,0,0,0,0,0|1,0,0]=1 13 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,0,0,0,0,0|1,0,0]=1 14 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,0,0,0,0,0|1,0,0]=1 15 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,0,0,0,0,0|1,0,0]=1 16 B12R0.42 CC(C)NCCCCC(N)C(=O)O MCULE-4725150112 [0,0,0,0,0,0|2,0,1]=3 17 B12R0.42 CC(C)NCCCC[C@H](N)C(=O)O MCULE-1146954302 [0,0,0,0,0,0|2,0,1]=3 18 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,0,0,0,0,0|2,0,0]=2 19 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,0,0,0,0,0|2,0,0]=2 20 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,0,0,0,0,0|2,0,0]=2 21 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,0,0,0,0,0|2,0,0]=2 22 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,0,0,0,0,0|2,0,0]=2 23 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,0,0,0,0,0|2,0,0]=2 24 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,0,0,0,0,0|2,0,0]=2 25 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,0,0,0,0,0|2,0,0]=2 26 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,0,0,0,0,0|2,0,0]=2 27 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,0,0,0,0,0|2,0,0]=2 28 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,0,0,0,0,0|1,0,0]=1 29 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,0,0,0,0,0|1,0,0]=1 30 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,0,0,0,0,0|1,0,0]=1 31 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,0,0,0,0,0|1,0,0]=1 32 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,0,0,0,0,0|1,0,0]=1 33 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,0,0,0,0,0|1,0,0]=1 34 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,0|1,0,0]=1 35 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,0|2,0,0]=2 36 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,0|1,0,0]=1 37 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,0|1,0,0]=1 38 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,0|2,0,0]=2 39 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,0|2,0,0]=2 40 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,0|1,0,0]=1 41 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,0|1,0,0]=1 42 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O MCULE-9194508818 [0,0,0,0,0,0|2,0,1]=3 43 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,0,0,0,0,0|1,0,0]=1 44 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,0,0,0,0,0|3,0,0]=4 46 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [1,0,0,0,0,0|3,0,0]=4 47 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [1,0,0,0,0,0|3,0,0]=4 48 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,0,0,0,0,0|2,0,0]=3 49 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [1,0,0,0,0,0|2,0,0]=3 50 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,0,0,0,0,0|1,0,0]=2 51 B11R0.30 CC(=O)NCCCCNC(=O)C MCULE-9435743413 [1,0,0,0,0,0|3,0,0]=4 52 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,0,0,0,0,0|2,0,0]=3 53 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,0,0,0,0,0|2,0,1]=4 54 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,0|2,0,0]=3 55 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,0|2,0,0]=3 56 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,0|1,0,0]=2 57 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [1,0,0,0,0,0|3,0,0]=4 58 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [1,0,0,0,0,0|1,0,2]=4 59 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [1,0,0,0,0,0|1,0,2]=4 60 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [1,0,0,0,0,0|1,0,0]=2 61 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [1,0,0,0,0,0|2,0,0]=3 62 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [1,0,0,0,0,0|2,0,0]=3 63 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [1,0,0,0,0,0|2,0,0]=3 64 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [1,0,0,0,0,0|2,0,0]=3 65 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [1,0,0,0,0,0|3,0,0]=4 66 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [1,0,0,0,0,0|3,0,0]=4 67 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [1,0,0,0,0,0|3,0,0]=4 68 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [1,0,0,0,0,0|3,0,0]=4 69 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,0,0,0,0,0|2,0,0]=3 70 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,0,0,0,0,0|2,0,0]=3 71 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,0,0,0,0,0|2,0,0]=3 72 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,0,0,0,0,0|2,0,0]=3 73 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,0,0,0,0,0|2,0,0]=3 74 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,0,0,0,0,0|2,0,0]=3 75 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,0,0,0,0,0|2,0,0]=3 76 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,0,0,0,0,0|2,0,0]=3 77 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,0,0,0,0,0|2,0,0]=3 78 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,0,0,0,0,0|2,0,0]=3 79 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,0,0,0,0,0|2,0,0]=3 80 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,0,0,0,0,0|2,0,1]=4 81 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,0,0,0,0,0|2,0,1]=4 82 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,0,0,0,0,0|2,0,1]=4 83 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,0,0,0,0,0|2,0,1]=4 84 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [1,0,0,0,0,0|0,0,0]=1 85 B11R0.42 N[C@@H](CCCCN=[N+]=[N-])C(=O)O MCULE-1235238069 [1,0,0,0,0,0|2,0,1]=4 86 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [1,0,0,0,0,0|0,0,0]=1 87 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [1,0,0,0,0,0|0,0,0]=1 88 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O MCULE-4439689174 [1,0,0,0,0,0|2,0,1]=4 89 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-2268932366 [1,0,0,0,0,0|2,0,1]=4 90 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5050271888 [1,0,0,0,0,0|2,0,1]=4 91 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5569498677 [1,0,0,0,0,0|2,0,1]=4 92 B13R0.51 N[C@@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-1421391808 [0,1,0,0,0,0|2,0,1]=4 93 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-3089825842 [0,1,0,0,0,0|2,0,1]=4 94 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-4476076301 [0,1,0,0,0,0|2,0,1]=4 95 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-6653808113 [0,1,0,0,0,0|2,0,1]=4 96 B13R0.78 C/C(=C\C(=O)O)/CCC[C@@H](C)C(=O)O MCULE-9771322987 [0,1,0,0,0,0|2,0,1]=4 97 B13R0.78 CC(=CC(=O)O)CCC[C@@H](C)C(=O)O MCULE-3630030888 [0,1,0,0,0,0|2,0,1]=4 98 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-6685329240 [0,1,0,0,0,0|1,0,0]=2 99 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-9146351607 [0,1,0,0,0,0|1,0,0]=2 100 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-1952085059 [0,1,0,0,0,0|1,0,0]=2 101 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-2631706513 [0,1,0,0,0,0|1,0,0]=2 102 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6706973771 [0,1,0,0,0,0|1,0,0]=2 103 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6778302428 [0,1,0,0,0,0|1,0,0]=2 104 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2461366013 [0,1,0,0,0,0|1,0,0]=2 105 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8091041228 [0,1,0,0,0,0|1,0,0]=2 106 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-1055431872 [0,1,0,0,0,0|1,0,0]=2 107 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-9001314161 [0,1,0,0,0,0|1,0,0]=2 108 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3127074319 [0,1,0,0,0,0|1,0,0]=2 109 B13R0.204 N[C@@H](CCCCNC(=O)CO)C(=O)O MCULE-6232083879 [0,1,0,0,0,0|0,0,0]=1 110 B13R0.353 C(N)(C[Se][Se]CC(N)C(=O)O)C(=O)O MCULE-9630482753 [0,1,0,0,0,0|3,0,0]=4 111 B13R0.353 NC(C/C=C/CC(N)C(=O)O)C(=O)O MCULE-6561593409 [0,1,0,0,0,0|1,0,2]=4 112 B13R0.353 NC(CC=CCC(N)C(=O)O)C(=O)O MCULE-3538947276 [0,1,0,0,0,0|1,0,2]=4 113 B13R0.353 NC(CC=CCC(N)C(=O)O)C(=O)O MCULE-4151565116 [0,1,0,0,0,0|1,0,2]=4 114 B13R0.353 NC(CCCCC(N)C(=O)O)C(=O)O MCULE-6205813007 [0,1,0,0,0,0|1,0,0]=2 115 B13R0.353 NC(CCSCC(N)C(=O)O)C(=O)O MCULE-5062168144 [0,1,0,0,0,0|2,0,0]=3 116 B13R0.353 NC(CCSCC(N)C(=O)O)C(=O)O MCULE-8748715647 [0,1,0,0,0,0|2,0,0]=3 117 B13R0.353 NC(CSCC[C@H](N)C(=O)O)C(=O)O MCULE-5526554850 [0,1,0,0,0,0|2,0,0]=3 118 B13R0.353 NC(CSSCC(N)C(=O)O)C(=O)O MCULE-2293704247 [0,1,0,0,0,0|3,0,0]=4 119 B13R0.353 NC(CSSCC(N)C(=O)O)C(=O)O MCULE-7713068832 [0,1,0,0,0,0|3,0,0]=4 120 B13R0.353 NC(CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-3765292405 [0,1,0,0,0,0|3,0,0]=4 121 B13R0.353 NC(CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-5222848209 [0,1,0,0,0,0|3,0,0]=4 122 B13R0.353 NC(CSSC[C@H](N)C(=O)O)C(=O)O MCULE-5507828778 [0,1,0,0,0,0|3,0,0]=4 123 B13R0.353 NC(CSSC[C@H](N)C(=O)O)C(=O)O MCULE-8085440146 [0,1,0,0,0,0|3,0,0]=4 124 B13R0.353 NC(CSSC[C@H](N)C(=O)O)C(=O)O MCULE-9209338923 [0,1,0,0,0,0|3,0,0]=4 125 B13R0.353 NC(C[Se][Se]C[C@H](N)C(=O)O)C(=O)O MCULE-3664552747 [0,1,0,0,0,0|3,0,0]=4 126 B13R0.353 N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O MCULE-2407867147 [0,1,0,0,0,0|2,0,0]=3 127 B13R0.353 N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O MCULE-7833805260 [0,1,0,0,0,0|2,0,0]=3 128 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1347350144 [0,1,0,0,0,0|3,0,0]=4 129 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1843830412 [0,1,0,0,0,0|3,0,0]=4 130 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1856490989 [0,1,0,0,0,0|3,0,0]=4 131 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1862736447 [0,1,0,0,0,0|3,0,0]=4 132 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-3203067480 [0,1,0,0,0,0|3,0,0]=4 133 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-8999723845 [0,1,0,0,0,0|3,0,0]=4 134 B13R0.353 N[C@@H](C[Se][Se]C[C@H](N)C(=O)O)C(=O)O MCULE-6036052400 [0,1,0,0,0,0|3,0,0]=4 135 B13R0.353 N[C@@H](C[Se][Se]C[C@H](N)C(=O)O)C(=O)O MCULE-8440912039 [0,1,0,0,0,0|3,0,0]=4 136 B13R0.353 N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O MCULE-7743281473 [0,1,0,0,0,0|2,0,0]=3 137 B13R0.353 N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-3979744389 [0,1,0,0,0,0|3,0,0]=4 138 B13R0.353 N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-5527321865 [0,1,0,0,0,0|3,0,0]=4 139 B13R0.353 N[C@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-8581541377 [0,1,0,0,0,0|3,0,0]=4 140 B13R0.353 N[C@H](C[Se][Se]C[C@@H](N)C(=O)O)C(=O)O MCULE-4136299529 [0,1,0,0,0,0|3,0,0]=4 141 B13R0.354 NC(CCCCCP(=O)(O)O)C(=O)O MCULE-7179125158 [0,1,0,0,0,0|2,0,0]=3 142 B13R0.354 N[C@@H](CCCCCP(=O)(O)O)C(=O)O MCULE-6613789913 [0,1,0,0,0,0|2,0,0]=3 143 B13R0.354 N[C@H](CCCCCP(=O)(O)O)C(=O)O MCULE-9148705810 [0,1,0,0,0,0|2,0,0]=3 144 B13R0.354 [C@@H](N)(CCCCCP(=O)(O)O)C(=O)O MCULE-2543492016 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.1060 CC(=O)N1CCOCC(C1)C(=O)O MCULE-6902027439 [0,0,0,1,0,0|3,0,0]=4 146 B13R1.1091 CC(=O)N1CCCCC1(C)C(=O)O MCULE-5551467879 [0,0,0,1,0,0|2,0,0]=3 147 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,1,0|2,0,0]=3 148 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,1,0|2,0,0]=3 149 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,1,0|2,0,0]=3 150 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,1,0|2,0,0]=3 151 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,1,0|2,0,0]=3 152 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,0,0,0,1,0|2,0,0]=3 153 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,1,0|1,0,0]=2 154 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,1,0|1,0,0]=2 155 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,1,0|1,0,0]=2 156 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,1,0|3,0,0]=4 157 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,1,0|3,0,0]=4 158 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,1,0|2,0,0]=3 159 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,1,0|2,0,0]=3 160 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,1,0|2,0,0]=3 161 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,1,0|2,0,0]=3 162 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,1,0|2,0,0]=3 163 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,1,0|2,0,0]=3 164 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,1,0|3,0,0]=4 165 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,1,0|3,0,0]=4 166 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,1,0|3,0,0]=4 167 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,1,0|3,0,0]=4 168 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,1,0|2,0,0]=3 169 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [0,0,0,0,1,0|3,0,0]=4 170 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [0,0,0,0,1,0|3,0,0]=4 171 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [0,0,0,0,1,0|3,0,0]=4 172 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [0,0,0,0,1,0|3,0,0]=4 173 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [0,0,0,0,1,0|3,0,0]=4 174 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [0,0,0,0,1,0|3,0,0]=4 175 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,0,0,0,1,0|2,0,0]=3 176 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,1,0|2,0,0]=3 177 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,1,0|2,0,0]=3 178 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,1,0|2,0,0]=3 179 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,1,0|3,0,0]=4 180 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,1,0|3,0,0]=4 181 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,1,0|3,0,0]=4 182 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,1,0|3,0,0]=4 183 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,1,0|2,0,0]=3 184 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,1,0|2,0,0]=3 185 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,1,0|2,0,0]=3 186 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,1,0|2,0,0]=3 187 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,1,0|3,0,0]=4 188 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,1,0|3,0,0]=4 189 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,1,0|3,0,0]=4 190 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,1,0|3,0,0]=4 191 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,1,0|2,0,0]=3 192 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,1,0|2,0,0]=3 193 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,1,0|2,0,0]=3 194 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,0,0,0,1,0|3,0,0]=4 195 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,1,0|3,0,0]=4 196 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,1,0|3,0,0]=4 197 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,1,0|3,0,0]=4 198 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,1,0|3,0,0]=4 199 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,1,0|3,0,0]=4 200 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,1,0|3,0,0]=4 201 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,1,0|3,0,0]=4 202 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,1,0|3,0,0]=4 203 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,1,0|3,0,0]=4 204 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,1,0|2,0,1]=4 205 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,1,0|1,0,0]=2 206 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,1,0|1,0,0]=2 207 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,1,0|1,0,0]=2 208 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,1,0|1,1,0]=3 209 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,1,0|1,0,0]=2 210 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,1,0|1,0,0]=2 211 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,1,0|1,0,0]=2 212 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,1,0|1,0,0]=2 213 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,1,0|1,0,0]=2 214 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,1,0|1,1,0]=3 215 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,1,0|0,0,0]=1 216 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,0,0,0,1,0|2,0,1]=4 217 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,0,0,0,1,0|2,0,1]=4 218 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,1,0|1,0,0]=2 219 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,0,0,0,1,0|1,0,1]=3 220 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,0,0,0,1,0|1,0,1]=3 221 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,0,0,0,1,0|1,0,1]=3 222 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,0,0,0,1,0|1,0,1]=3 223 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,1,0|0,0,0]=1 224 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,1,0|0,0,0]=1 225 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,0,0,0,1,0|2,0,1]=4 226 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,0,0,0,1,0|2,0,1]=4 227 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,0,0,0,1,0|2,0,1]=4 228 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,0,0,0,1,0|2,0,1]=4 229 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,1,0|1,0,0]=2 230 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,1,0|1,0,0]=2 231 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,1,0|0,0,0]=1 232 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,1,0|0,0,0]=1 233 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,1,0|1,0,0]=2 234 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,0,0,0,1,0|1,0,1]=3 235 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,1,0|2,0,0]=3 236 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,1,0|2,0,0]=3 237 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,1,0|2,0,0]=3 238 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,0,0,0,1,0|2,0,1]=4 239 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-1504061521 [0,0,0,0,0,1|2,0,0]=3 240 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-2897871968 [0,0,0,0,0,1|2,0,0]=3 241 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-8651286367 [0,0,0,0,0,1|2,0,0]=3 242 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-9288179859 [0,0,0,0,0,1|2,0,0]=3 243 B13R0.180 CC(=O)NCCSCCC(N)C(=O)O MCULE-8007592929 [0,0,0,0,0,1|1,0,0]=2 244 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,0,0,0,0,1|0,0,0]=1 245 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,0,0,0,0,1|0,0,0]=1 246 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [2,0,0,0,0,0|2,0,0]=4 247 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [2,0,0,0,0,0|1,0,1]=4 248 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [2,0,0,0,0,0|1,0,1]=4 249 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [2,0,0,0,0,0|1,0,0]=3 250 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [2,0,0,0,0,0|0,0,0]=2 251 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [2,0,0,0,0,0|1,0,0]=3 252 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [2,0,0,0,0,0|1,0,0]=3 253 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [2,0,0,0,0,0|1,0,0]=3 254 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [2,0,0,0,0,0|1,0,0]=3 255 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [2,0,0,0,0,0|1,0,0]=3 256 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [2,0,0,0,0,0|1,0,1]=4 257 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [2,0,0,0,0,0|1,0,1]=4 258 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [2,0,0,0,0,0|1,0,1]=4 259 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [2,0,0,0,0,0|1,0,1]=4 260 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [2,0,0,0,0,0|1,0,1]=4 261 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [2,0,0,0,0,0|1,0,1]=4 262 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [2,0,0,0,0,0|0,0,1]=3 263 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [2,0,0,0,0,0|0,0,1]=3 264 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [2,0,0,0,0,0|0,0,1]=3 265 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [2,0,0,0,0,0|0,0,1]=3 266 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [2,0,0,0,0,0|0,0,1]=3 267 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [2,0,0,0,0,0|0,0,1]=3 268 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [2,0,0,0,0,0|1,0,0]=3 269 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [2,0,0,0,0,0|1,0,1]=4 270 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [2,0,0,0,0,0|1,0,1]=4 271 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [2,0,0,0,0,0|1,0,1]=4 272 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [2,0,0,0,0,0|1,0,1]=4 273 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [2,0,0,0,0,0|1,0,1]=4 274 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [2,0,0,0,0,0|1,0,1]=4 275 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [2,0,0,0,0,0|1,0,1]=4 276 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [2,0,0,0,0,0|1,0,1]=4 277 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [2,0,0,0,0,0|2,0,0]=4 278 B12R0.184 C=CC(=O)NCCCCCC(=O)O MCULE-9666008928 [1,1,0,0,0,0|1,0,0]=3 279 B12R0.184 CC(=O)NCCCCCC(=O)NN MCULE-6626582915 [1,1,0,0,0,0|2,0,0]=4 280 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [1,1,0,0,0,0|2,0,0]=4 281 B12R0.184 COC(=O)CCCCCCC(=O)Cl MCULE-8021290059 [1,1,0,0,0,0|2,0,0]=4 282 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [1,1,0,0,0,0|1,0,0]=3 283 B12R0.184 COC(=O)CCCCCNC(=S)N MCULE-7713909467 [1,1,0,0,0,0|1,1,0]=4 284 B12R0.184 COC(=O)CCCCCOC(=O)C MCULE-6683368772 [1,1,0,0,0,0|2,0,0]=4 285 B12R0.184 O=C(O)CCCCCCC(=O)NO MCULE-8631395600 [1,1,0,0,0,0|1,0,0]=3 286 B12R0.184 O=C(O)CCCCCNC(=O)CCl MCULE-7503199226 [1,1,0,0,0,0|1,0,0]=3 287 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [1,1,0,0,0,0|1,0,0]=3 288 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [1,1,0,0,0,0|2,0,0]=4 289 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-2799345068 [1,1,0,0,0,0|2,0,0]=4 290 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-9903243220 [1,1,0,0,0,0|2,0,0]=4 291 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-2269405644 [1,1,0,0,0,0|2,0,0]=4 292 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-9502690178 [1,1,0,0,0,0|2,0,0]=4 293 B12R0.251 N/N=C/NCCCC[C@H](N)C(=O)O MCULE-2044539405 [1,1,0,0,0,0|1,0,0]=3 294 B12R0.251 N/N=C/NCCCC[C@H](N)C(=O)O MCULE-6939618313 [1,1,0,0,0,0|1,0,0]=3 295 B12R0.139 NC(CC(=O)NCC(=O)O)C(=O)O MCULE-3722590501 [0,1,0,0,1,0|1,0,1]=4 296 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O MCULE-5859277015 [0,1,0,0,1,0|1,0,1]=4 297 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-4648933282 [0,1,0,0,1,0|2,0,0]=4 298 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-8765195520 [0,1,0,0,1,0|2,0,0]=4 299 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [0,1,0,0,1,0|2,0,0]=4 300 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [0,1,0,0,1,0|2,0,0]=4 301 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [0,1,0,0,1,0|2,0,0]=4 302 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [0,1,0,0,1,0|2,0,0]=4 303 B12R0.264 NC(CCCCP(=O)(O)O)C(=O)O MCULE-4265556920 [0,1,0,0,1,0|1,0,0]=3 304 B12R0.264 [C@H](N)(CCCCP(=O)(O)O)C(=O)O MCULE-3135079588 [0,1,0,0,1,0|1,0,0]=3 305 B12R0.627 CC(CSCC(N)C(=O)O)C(=O)O MCULE-8019160796 [0,1,0,0,1,0|1,0,0]=3 306 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-1141812385 [0,1,0,0,1,0|1,0,0]=3 307 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-8490230025 [0,1,0,0,1,0|1,0,0]=3 308 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,1,0,0,1,0|0,0,0]=2 309 B12R0.627 NC(CSCC(N)C(=O)O)C(=O)O MCULE-7420458378 [0,1,0,0,1,0|1,0,0]=3 310 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,1,0,0,1,0|0,0,0]=2 311 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,1,0,0,1,0|0,0,0]=2 312 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,1,0,0,1,0|0,0,0]=2 313 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-1932719723 [0,1,0,0,1,0|1,0,0]=3 314 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-3341203729 [0,1,0,0,1,0|1,0,0]=3 315 B12R0.627 N[C@@H](C[Se]C[C@H](N)C(=O)O)C(=O)O MCULE-1101588173 [0,1,0,0,1,0|1,0,0]=3 316 B12R0.687 CC(=O)NC(=O)CCC(N)C(=O)O MCULE-2604827857 [0,1,0,0,1,0|1,0,1]=4 317 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-5226244303 [0,1,0,0,1,0|1,0,1]=4 318 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-6434591285 [0,1,0,0,1,0|1,0,1]=4 319 B12R0.692 O=C(O)CCCCC(F)(F)C(=O)O MCULE-1731217275 [0,1,0,0,1,0|1,0,0]=3 320 B14R0.400 NC(CCOC(=O)CCC(=O)O)C(=O)O MCULE-4631990256 [0,1,0,0,0,1|1,0,1]=4 321 B14R0.400 N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O MCULE-4157995241 [0,1,0,0,0,1|1,0,1]=4 322 B14R0.400 N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O MCULE-9192672799 [0,1,0,0,0,1|1,0,1]=4 323 B14R0.405 CC(CCCCCC(C)C(=O)O)C(=O)O MCULE-1212714477 [0,1,0,0,0,1|2,0,0]=4 324 B14R0.405 CC(NCCCC[C@H](N)C(=O)O)C(=O)O MCULE-7344503385 [0,1,0,0,0,1|0,0,0]=2 325 B14R0.405 CC(NCCCC[C@H](N)C(=O)O)C(=O)O MCULE-7618737686 [0,1,0,0,0,1|0,0,0]=2 326 B14R0.405 CC(O)C(=O)NCCCC[C@H](N)C(=O)O MCULE-4608201262 [0,1,0,0,0,1|1,0,1]=4 327 B14R0.405 NC(CCCCCC(N)C(=O)O)C(=O)O MCULE-1750659514 [0,1,0,0,0,1|1,0,0]=3 328 B14R0.405 NC(CSCSCC(N)C(=O)O)C(=O)O MCULE-2086656116 [0,1,0,0,0,1|2,0,0]=4 329 B14R0.405 N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O MCULE-5648258703 [0,1,0,0,0,1|1,0,0]=3 330 B14R0.405 N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O MCULE-7408503189 [0,1,0,0,0,1|1,0,0]=3 331 B14R0.405 N[C@@H](CCCCNC(=O)C(=O)O)C(=O)O MCULE-5194127015 [0,1,0,0,0,1|0,0,0]=2 332 B14R0.405 N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O MCULE-1066956392 [0,1,0,0,0,1|2,0,0]=4 333 B14R0.405 N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O MCULE-4530619196 [0,1,0,0,0,1|2,0,0]=4 334 B14R0.518 NC(CCCCCCP(=O)(O)O)C(=O)O MCULE-7690975952 [0,1,0,0,0,1|2,0,0]=4 335 B14R0.249 CCC(=O)CCCCCC(N)C(=O)OC MCULE-3117964256 [0,2,0,0,0,0|2,0,0]=4 336 B14R0.35 C/C=C/C(=O)NCCCC[C@H](N)C(=O)O MCULE-3864838964 [0,2,0,0,0,0|1,0,0]=3 337 B14R0.35 CC=CC(=O)NCCCCC(N)C(=O)O MCULE-2333103706 [0,2,0,0,0,0|1,0,0]=3 338 B14R0.35 CC=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-3141543014 [0,2,0,0,0,0|1,0,0]=3 339 B14R0.35 CC=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-4495932392 [0,2,0,0,0,0|1,0,0]=3 340 B14R0.35 CCCC(=O)NCCCCC(N)C(=O)O MCULE-2353047496 [0,2,0,0,0,0|1,0,0]=3 341 B14R0.35 CCCC(=O)NCCCCC(N)C(=O)O MCULE-9559831237 [0,2,0,0,0,0|1,0,0]=3 342 B14R0.35 CCCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3775169948 [0,2,0,0,0,0|1,0,0]=3 343 B14R0.35 CCCC(=O)NCCCC[C@H](N)C(=O)O MCULE-6484090715 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [1,0,0,1,0,0|2,0,0]=4 345 B12R1.226 O=C(O)CCN1CCNC(=O)C1 MCULE-1196913749 [1,0,0,1,0,0|2,0,0]=4 346 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [1,0,0,1,0,0|1,0,0]=3 347 B12R1.261 CC(=O)N1CCNCC1C(=O)O MCULE-8968360886 [1,0,0,1,0,0|2,0,0]=4 348 B12R1.261 CC(=O)N1CCOCC1C(=O)O MCULE-4489986949 [1,0,0,1,0,0|2,0,0]=4 349 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [1,0,0,1,0,0|2,0,0]=4 350 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [1,0,0,1,0,0|1,0,0]=3 351 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [1,0,0,1,0,0|2,0,0]=4 352 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [1,0,0,1,0,0|2,0,0]=4 353 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [1,0,0,1,0,0|2,0,0]=4 354 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [1,0,0,1,0,0|2,0,0]=4 355 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [1,0,0,1,0,0|2,0,0]=4 356 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [1,0,0,1,0,0|2,0,0]=4 357 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [1,0,0,1,0,0|2,0,0]=4 358 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [1,0,0,1,0,0|2,0,0]=4 359 B12R1.261 O=C(O)C1=C(CCCC1)C(=O)O MCULE-2633452606 [1,0,0,1,0,0|1,0,1]=4 360 B12R1.261 O=C(O)C1CCCCC1C(=O)O MCULE-3185409075 [1,0,0,1,0,0|1,0,0]=3 361 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [1,0,0,1,0,0|0,0,0]=2 362 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-3938002780 [1,0,0,1,0,0|2,0,0]=4 363 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-6316865811 [1,0,0,1,0,0|2,0,0]=4 364 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-6895708229 [1,0,0,1,0,0|2,0,0]=4 365 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-8118548559 [1,0,0,1,0,0|2,0,0]=4 366 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4895515726 [1,0,0,1,0,0|1,0,0]=3 367 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4906980900 [1,0,0,1,0,0|1,0,0]=3 368 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-7747323415 [1,0,0,1,0,0|1,0,0]=3 369 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1184405040 [1,0,0,1,0,0|1,0,0]=3 370 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3346909877 [1,0,0,1,0,0|1,0,0]=3 371 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9506589203 [1,0,0,1,0,0|1,0,0]=3 372 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-4882537337 [1,0,0,1,0,0|2,0,0]=4 373 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-6755541512 [1,0,0,1,0,0|2,0,0]=4 374 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-3174459162 [1,0,0,1,0,0|2,0,0]=4 375 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-5812717043 [1,0,0,1,0,0|2,0,0]=4 376 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [1,0,0,1,0,0|2,0,0]=4 377 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [1,0,0,1,0,0|2,0,0]=4 378 B12R1.874 O=C(O)CC1CCCNC(=O)C1 MCULE-2622321919 [1,0,0,1,0,0|1,0,0]=3 379 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [1,0,0,1,0,0|2,0,0]=4 380 B12R1.145 NC(=O)[C@@H](N)C[C@@H]1CCNC1=O MCULE-3710979502 [1,0,0,1,0,0|1,0,0]=3 381 B12R1.145 NC(=O)[C@@H](N)C[C@@H]1CCNC1=O MCULE-4435619705 [1,0,0,1,0,0|1,0,0]=3 382 B12R1.145 NC(=O)[C@@H](N)C[C@@H]1CCNC1=O MCULE-6110433333 [1,0,0,1,0,0|1,0,0]=3 383 B12R1.145 NC(=O)[C@@H](N)C[C@@H]1CCNC1=O MCULE-8125629904 [1,0,0,1,0,0|1,0,0]=3 384 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O MCULE-2326703264 [0,0,0,1,1,0|2,0,0]=4 385 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-2720998952 [0,0,0,1,1,0|2,0,0]=4 386 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-4356837818 [0,0,0,1,1,0|2,0,0]=4 387 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-4379891928 [0,0,0,1,1,0|2,0,0]=4 388 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-8013678613 [0,0,0,1,1,0|2,0,0]=4 389 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,0,0,1,1,0|2,0,0]=4 390 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,0,0,1,1,0|2,0,0]=4 391 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,1,0|2,0,0]=4 392 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,1,0|2,0,0]=4 393 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O MCULE-7196171464 [0,0,0,1,1,0|1,0,0]=3 394 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,1,0|0,0,0]=2 395 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [0,0,0,1,1,0|2,0,0]=4 396 B12R1.258 O=C(O)C1CN(CCO1)C(=O)O MCULE-2737322968 [0,0,0,1,1,0|2,0,0]=4 397 B12R1.258 O=C(O)C1CNCC(C1)C(=O)O MCULE-2177789382 [0,0,0,1,1,0|2,0,0]=4 398 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,0,0,1,1,0|0,0,0]=2 399 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-4449782615 [0,0,0,1,1,0|1,0,0]=3 400 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-8158708245 [0,0,0,1,1,0|1,0,0]=3 401 B12R1.258 O=C(O)[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-1278208764 [0,0,0,1,1,0|2,0,0]=4 402 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2075996893 [0,0,0,1,1,0|1,0,0]=3 403 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2751748723 [0,0,0,1,1,0|1,0,0]=3 404 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-9442455281 [0,0,0,1,1,0|1,0,0]=3 405 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-3306746591 [0,0,0,1,1,0|1,0,0]=3 406 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [0,0,0,1,1,0|2,0,0]=4 407 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O MCULE-1907207934 [0,0,0,1,1,0|2,0,0]=4 408 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-3679005256 [0,0,0,1,1,0|2,0,0]=4 409 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-5226979290 [0,0,0,1,1,0|2,0,0]=4 410 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,0,0,1,1,0|2,0,0]=4 411 B14R1.1449 CC(=O)NC[C@@H]1CC[C@@H](N1)CC(=O)N MCULE-8218439962 [0,0,0,1,0,1|2,0,0]=4 412 B14R1.16347 CC(=O)N1CCCCCC1(C)C(=O)O MCULE-1207315539 [0,0,0,1,0,1|2,0,0]=4 413 B14R1.419 CC(=O)NCC1CCC(CC1)C(=O)O MCULE-3046510439 [0,1,0,1,0,0|2,0,0]=4 414 B14R1.419 CC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8599697536 [0,1,0,1,0,0|2,0,0]=4 415 B14R1.9511 CC1CCC(C1C(=O)O)C(C)C(=O)O MCULE-1017552377 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.83297 NC1(CCC2C1C2C(=O)O)C(=O)O MCULE-9600093670 [0,0,0,2,0,0|1,0,0]=3 417 B14R2.83297 N[C@]1(CSC2C1[C@H]2C(=O)O)C(=O)O MCULE-5775987800 [0,0,0,2,0,0|2,0,0]=4 418 B14R2.83297 [C@@H]12CC[C@@]([C@@H]1[C@H]2C(=O)O)(N)C(=O)O MCULE-4405877923 [0,0,0,2,0,0|1,0,0]=3 419 B14R2.83297 [C@@H]12CC[C@@]([C@@H]1[C@H]2C(=O)O)(N)C(=O)O MCULE-8594595408 [0,0,0,2,0,0|1,0,0]=3 420 B14R2.83297 [C@@H]12OC[C@@]([C@@H]1[C@H]2C(=O)O)(N)C(=O)O MCULE-2109307381 [0,0,0,2,0,0|2,0,0]=4 421 B14R2.83297 [C@@H]12OC[C@@]([C@@H]1[C@H]2C(=O)O)(N)C(=O)O MCULE-5776416929 [0,0,0,2,0,0|2,0,0]=4 422 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-3843882509 [1,0,0,0,1,0|1,0,1]=4 423 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-6658263929 [1,0,0,0,1,0|1,0,1]=4 424 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,2,0|2,0,0]=4 425 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,2,0|1,0,0]=3 426 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,2,0|1,0,0]=3 427 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,2,0|2,0,0]=4 428 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,2,0|2,0,0]=4 429 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,2,0|2,0,0]=4 430 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,2,0|2,0,0]=4 431 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,2,0|2,0,0]=4 432 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,2,0|2,0,0]=4 433 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,2,0|2,0,0]=4 434 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,2,0|2,0,0]=4 435 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,2,0|0,0,0]=2 436 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,2,0|0,0,0]=2 437 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,2,0|0,0,0]=2 438 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,2,0|1,0,0]=3 439 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,2,0|0,0,0]=2 440 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,2,0|0,0,0]=2 441 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,2,0|1,0,0]=3 442 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,2,0|1,0,0]=3 443 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,2,0|0,0,0]=2 444 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,2,0|0,0,0]=2 445 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,2,0|1,0,1]=4 446 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,2,0|1,0,0]=3 447 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,2,0|1,0,0]=3 448 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [1,0,0,0,0,1|2,0,0]=4 449 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [1,0,0,0,0,1|2,0,0]=4 450 B12R0.268 CC(=O)NCCCCCNC(=O)C MCULE-4106454618 [1,0,0,0,0,1|2,0,0]=4 451 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [1,0,0,0,0,1|2,0,0]=4 452 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [1,0,0,0,0,1|1,0,0]=3 453 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-2001162043 [1,0,0,0,0,1|1,0,0]=3 454 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-8676764057 [1,0,0,0,0,1|1,0,0]=3 455 B12R0.268 O=C(O)CCCNCCCC(=O)O MCULE-1624663865 [1,0,0,0,0,1|1,0,0]=3 456 B12R0.268 O=C(O)CCCOCCCC(=O)O MCULE-5250506996 [1,0,0,0,0,1|1,0,0]=3 457 B12R0.268 O=C(O)CCSCSCCC(=O)O MCULE-5771159784 [1,0,0,0,0,1|2,0,0]=4 458 B12R0.268 O=C(O)CNCCCNCC(=O)O MCULE-7974649276 [1,0,0,0,0,1|1,0,0]=3 459 B12R0.268 O=C(O)CSCCCSCC(=O)O MCULE-6412986208 [1,0,0,0,0,1|2,0,0]=4 460 B14R0.427 O=C(O)CCCCCCC(O)CC(=O)O MCULE-3584480331 [0,0,0,0,0,2|2,0,0]=4 461 B14R0.549 NC(CCCCCCCC(=O)O)C(=O)O MCULE-4762996603 [0,0,0,0,0,2|1,0,0]=3 462 B14R0.549 NC(CCSCCCCC(=O)O)C(=O)O MCULE-1871466201 [0,0,0,0,0,2|1,0,0]=3 463 B14R0.549 O=C(O)CCCCCCC[C@@H](O)C(=O)O MCULE-4932955141 [0,0,0,0,0,2|2,0,0]=4