0 B15R1.22498 CSCC[C@H](NC(=O)NC1CC1)C(=O)O MCULE-5594351297 [0,0,0,0,0,0|0,0,0]=0 1 B16R1.37924 COC(=O)C(CCSC)NC(=O)NC1CC1 MCULE-2999361274 [0,1,0,0,0,0|0,0,0]=1 2 B16R1.37924 COC(=O)[C@@H](CCSC)NC(=O)NC1CC1 MCULE-1317440689 [0,1,0,0,0,0|0,0,0]=1 3 B14R0.148 C=CCNC(=O)NC(CCSC)C(=O)O MCULE-7051186871 [0,0,1,0,0,0|0,0,2]=3 4 B14R0.148 C=CCNC(=O)N[C@@H](CCSC)C(=O)O MCULE-5904692019 [0,0,1,0,0,0|0,0,2]=3 5 B14R0.148 CCCNC(=O)NC(CCSC)C(=O)O MCULE-4033559982 [0,0,1,0,0,0|0,0,0]=1 6 B14R0.148 CCCNC(=O)N[C@@H](CCSC)C(=O)O MCULE-6344054419 [0,0,1,0,0,0|0,0,0]=1 7 B14R0.148 CCCNC(=O)N[C@H](CCSC)C(=O)O MCULE-1620586924 [0,0,1,0,0,0|0,0,0]=1 8 B14R0.2451 CSCCC(NC(=O)CC(=O)C)C(=O)O MCULE-7493019454 [0,0,1,0,0,0|2,0,1]=4 9 B16R2.27530 O=C(O)C1CC=CCC1C(=O)NC2CC2 MCULE-2145105101 [0,0,0,1,0,0|2,0,1]=4 10 B16R2.27530 O=C(O)C1CCCCC1C(=O)NC2CC2 MCULE-1973339940 [0,0,0,1,0,0|2,0,0]=3 11 B16R2.399490 O=C(CC1(CCCC1)C(=O)O)NC2CC2 MCULE-6854601487 [0,0,0,1,0,0|2,0,0]=3 12 B14R1.13030 CSCCC(NC(=O)C1CC1)C(=O)O MCULE-6269388535 [0,0,0,0,1,0|0,0,0]=1 13 B13R0.1298 CSCCC(NCCC(C)C)C(=O)O MCULE-1723443391 [1,0,1,0,0,0|1,0,1]=4 14 B13R0.1298 CSCCC(NCCC(C)C)C(=O)O MCULE-3499760009 [1,0,1,0,0,0|1,0,1]=4 15 B15R0.213 C=CCNC(=O)NC(CCSC)C(=O)OC MCULE-4861078660 [0,1,1,0,0,0|0,0,2]=4 16 B15R0.213 C=CCNC(=O)N[C@@H](CCSC)C(=O)OC MCULE-1346698211 [0,1,1,0,0,0|0,0,2]=4 17 B15R0.213 C=CCNC(=O)N[C@H](CCSC)C(=O)OC MCULE-6043944353 [0,1,1,0,0,0|0,0,2]=4 18 B15R0.213 CCCNC(=O)NC(CCSC)C(=O)OC MCULE-6936356169 [0,1,1,0,0,0|0,0,0]=2 19 B15R0.213 CCCNC(=O)N[C@@H](CCSC)C(=O)OC MCULE-2258152785 [0,1,1,0,0,0|0,0,0]=2 20 B15R0.229 CCCCCC(=O)N[C@@H](CCSC)C(=O)O MCULE-9070059390 [0,1,1,0,0,0|1,0,0]=3 21 B15R0.229 CCCCCC(=O)N[C@@H](CCSC)C(=O)O MCULE-9727826969 [0,1,1,0,0,0|1,0,0]=3 22 B15R0.414 CSCC[C@@H](NC(=O)NCC(C)C)C(=O)O MCULE-6706476388 [0,1,1,0,0,0|0,0,0]=2 23 B15R0.414 CSCC[C@H](NC(=O)NCC(C)C)C(=O)O MCULE-8165004119 [0,1,1,0,0,0|0,0,0]=2 24 B15R0.3056 CCC(C)NC(=O)NC(CCSC)C(=O)O MCULE-1562092905 [0,1,1,0,0,0|0,0,0]=2 25 B15R0.3056 CCC(C)NC(=O)N[C@@H](CCSC)C(=O)O MCULE-1153194995 [0,1,1,0,0,0|0,0,0]=2 26 B15R0.3056 CCC(C)NC(=O)N[C@H](CCSC)C(=O)O MCULE-4613226290 [0,1,1,0,0,0|0,0,0]=2 27 B15R0.2229 CSCCC(NC(=O)C(N)C(C)C)C(=O)O MCULE-6582224308 [0,1,1,0,0,0|1,0,0]=3 28 B15R0.2229 CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O MCULE-3217618501 [0,1,1,0,0,0|1,0,0]=3 29 B15R0.2229 CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O MCULE-7458889847 [0,1,1,0,0,0|1,0,0]=3 30 B15R0.2250 CCCCC(NC(=O)OC(C)(C)C)C(=O)O MCULE-4639106321 [0,1,1,0,0,0|2,0,0]=4 31 B15R0.2250 CCCCC(NC(=O)OC(C)(C)C)C(=O)O MCULE-8160605608 [0,1,1,0,0,0|2,0,0]=4 32 B15R0.2250 CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-5955838465 [0,1,1,0,0,0|2,0,0]=4 33 B15R0.2250 CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-8485818940 [0,1,1,0,0,0|2,0,0]=4 34 B15R0.2250 CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-1214664950 [0,1,1,0,0,0|2,0,0]=4 35 B15R0.2250 CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-4389841053 [0,1,1,0,0,0|2,0,0]=4 36 B15R0.2250 COCC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-2185445922 [0,1,1,0,0,0|1,1,0]=4 37 B15R0.2250 CSCCC(NC(=O)OC(C)(C)C)C(=O)O MCULE-2590650067 [0,1,1,0,0,0|1,0,0]=3 38 B15R0.2250 CSCCC(NC(=O)OC(C)(C)C)C(=O)O MCULE-5695086872 [0,1,1,0,0,0|1,0,0]=3 39 B15R0.2250 CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N MCULE-6992524752 [0,1,1,0,0,0|2,0,0]=4 40 B15R0.2250 CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-2360896970 [0,1,1,0,0,0|1,0,0]=3 41 B15R0.2250 CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-9278154210 [0,1,1,0,0,0|1,0,0]=3 42 B15R0.2250 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-6175992556 [0,1,1,0,0,0|1,0,0]=3 43 B15R0.2250 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-7607786196 [0,1,1,0,0,0|1,0,0]=3 44 B15R0.2250 CSSC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-8127276576 [0,1,1,0,0,0|2,0,0]=4 45 B15R0.2250 C[Se]CCC(NC(=O)OC(C)(C)C)C(=O)O MCULE-7754600944 [0,1,1,0,0,0|1,1,0]=4 46 B15R0.2250 C[Se]CC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-2504892429 [0,1,1,0,0,0|1,1,0]=4 47 B15R0.2250 C[Se]CC[C@H](NC(=O)OC(C)(C)C)C(=O)O MCULE-9158890332 [0,1,1,0,0,0|1,1,0]=4 48 B15R0.3055 COC(=O)C(CCSC)NC(=O)NC(C)C MCULE-5484069664 [0,1,1,0,0,0|0,0,0]=2 49 B15R0.3055 COC(=O)[C@H](CCSC)NC(=O)NC(C)C MCULE-6116276141 [0,1,1,0,0,0|0,0,0]=2 50 B15R1.41839 CC(C)C[C@H](NC(=O)NC1CC1)C(=O)O MCULE-6735520067 [1,1,0,0,0,0|0,0,0]=2 51 B15R1.1239 CCCNC(=O)C1CCCCC1C(=O)O MCULE-8018129749 [0,0,1,1,0,0|2,0,0]=4 52 B15R1.17415 COCCC1(CCCCC(=O)N1)C(=O)O MCULE-9641991805 [0,0,1,1,0,0|1,1,0]=4 53 B15R1.22496 CSCC[C@H](NC(=O)C1CCC1)C(=O)O MCULE-9284747910 [0,0,1,1,0,0|1,0,0]=3 54 B15R1.5509 CC(C)CC(=O)N1CCCCC1C(=O)O MCULE-9344701383 [0,0,1,1,0,0|2,0,0]=4 55 B15R1.5509 CC(C)NC(=O)C1CCCCC1C(=O)O MCULE-7518078559 [0,0,1,1,0,0|2,0,0]=4 56 B15R1.5741 CC(C)NC(=O)NC1CCCCNC1=O MCULE-1841760911 [0,0,1,1,0,0|2,0,0]=4 57 B15R1.59925 CC(C)NC(=O)CC1(CCCC1)C(=O)O MCULE-1387834221 [0,0,1,1,0,0|2,0,0]=4 58 B15R2.16318 O=C(O)C1CCCCN1C(=O)C2CC2 MCULE-7480730744 [0,0,0,1,1,0|1,0,0]=3 59 B17R2.963391 O=C(CC1(CCCCC1)C(=O)O)NC2CC2 MCULE-4749926636 [0,1,0,1,0,0|2,0,0]=4 60 B13R0.160 CCCC[C@H](NC(=O)[C@H](C)N)C(=O)O MCULE-8573086859 [0,0,1,0,1,0|2,0,0]=4 61 B13R0.160 CSCCC(NC(=O)C(C)N)C(=O)O MCULE-8637859348 [0,0,1,0,1,0|1,0,0]=3 62 B13R0.160 [C@@H](C)(N)C(=O)N[C@@H](CCSC)C(=O)O MCULE-9563309371 [0,0,1,0,1,0|1,0,0]=3 63 B17R1.9754 CSCC[C@H](NC(=O)NC1CCCC1)C(=O)O MCULE-2697444021 [0,0,0,0,0,2|0,0,0]=2