0 B17R2.22759 N=C1N[C@H]2CS[C@H]([C@@H]2N1)CCCCC(=O)O MCULE-8256177408 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.22759 NC1=NC2CSC(C2N1)CCCCC(=O)O MCULE-6422263899 [0,0,0,0,0,0|1,0,1]=2 2 B17R2.22759 O=C(O)C=CCCC1SCC2C1NC(=O)N2 MCULE-5754180975 [0,0,0,0,0,0|0,0,2]=2 3 B17R2.22759 O=C(O)CCCCC1=C2NC(=O)NC2=CS1 MCULE-7070403845 [0,0,0,0,0,0|0,0,4]=4 4 B17R2.22759 O=C(O)CCCCC1SCC2C1NC(=O)N2 MCULE-6549466078 [0,0,0,0,0,0|0,0,0]=0 5 B17R2.22759 [C@@H]12CS[C@@H]([C@@H]1NC(=O)N2)CCCCC(=O)O MCULE-3981758727 [0,0,0,0,0,0|0,0,0]=0 6 B17R2.22759 [C@H]12NC(=N)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-7114134600 [0,0,0,0,0,0|1,0,0]=1 7 B17R2.22759 [C@H]12NC(=N)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-9008677226 [0,0,0,0,0,0|1,0,0]=1 8 B17R2.22759 [C@H]12NC(=N[C@H]1CS[C@H]2CCCCC(=O)O)N MCULE-2241271142 [0,0,0,0,0,0|1,0,1]=2 9 B17R2.22759 [C@H]12NC(=N[C@H]1CS[C@H]2CCCCC(=O)O)N MCULE-4180770968 [0,0,0,0,0,0|1,0,1]=2 10 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-1566561180 [0,0,0,0,0,0|0,0,0]=0 11 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-6322715246 [0,0,0,0,0,0|0,0,0]=0 12 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-7440963355 [0,0,0,0,0,0|0,0,0]=0 13 B17R2.22759 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O MCULE-9442973547 [0,0,0,0,0,0|0,0,0]=0 14 B16R2.34426 C12CSC(C1NC(=O)N2)CCCCCBr MCULE-5273081144 [1,0,0,0,0,0|1,0,1]=3 15 B16R2.34426 O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCCBr MCULE-6033916767 [1,0,0,0,0,0|1,0,1]=3 16 B16R2.34426 O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCCO MCULE-5597653916 [1,0,0,0,0,0|0,0,1]=2 17 B16R2.34426 [C@H]12NC(=O)N[C@H]1CSC2CCCCCBr MCULE-6059187920 [1,0,0,0,0,0|1,0,1]=3 18 B16R2.34426 [C@H]12NC(=O)N[C@H]1CSC2CCCCCBr MCULE-6512294690 [1,0,0,0,0,0|1,0,1]=3 19 B16R2.34426 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCCO MCULE-3689189581 [1,0,0,0,0,0|0,0,1]=2 20 B18R2.61558 N=C1NC2CS(=O)C(C2N1)CCCCC(=O)O MCULE-6393436534 [0,1,0,0,0,0|1,0,1]=3 21 B18R2.61558 N=C1N[C@@H]2[C@@H](S(=O)C[C@@H]2N1)CCCCC(=O)O MCULE-8782015827 [0,1,0,0,0,0|1,0,1]=3 22 B18R2.61558 O=C(O)CCCCN1C(=O)NC2C1NC(=O)N2 MCULE-1373326598 [0,1,0,0,0,0|3,0,0]=4 23 B18R2.61558 O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@@]1=O MCULE-9996236343 [0,1,0,0,0,0|0,0,1]=2 24 B18R2.61558 [C@H]12NC(=O)N[C@H]1CS(=O)[C@H]2CCCCC(=O)O MCULE-2873904226 [0,1,0,0,0,0|0,0,1]=2 25 B18R2.61558 [C@H]12NC(=O)N[C@H]1CS(=O)[C@H]2CCCCC(=O)O MCULE-9500828709 [0,1,0,0,0,0|0,0,1]=2 26 B18R2.61558 [C@H]12NC(=O)N[C@H]1C[S@@](=O)[C@H]2CCCCC(=O)O MCULE-9095127488 [0,1,0,0,0,0|0,0,1]=2 27 B18R2.101471 C12CSC(C1NC(=O)N2)CCCCC(=O)OC MCULE-8248940311 [0,1,0,0,0,0|0,0,0]=1 28 B18R2.101471 COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 MCULE-4102767996 [0,1,0,0,0,0|0,0,0]=1 29 B18R2.101471 COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 MCULE-8272530351 [0,1,0,0,0,0|0,0,0]=1 30 B18R2.101471 COC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2 MCULE-1548507349 [0,1,0,0,0,0|0,0,0]=1 31 B18R2.101471 NNC(=O)CCCCC1SCC2C1NC(=O)N2 MCULE-2833936817 [0,1,0,0,0,0|1,0,0]=2 32 B18R2.101471 NNC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2 MCULE-4874814456 [0,1,0,0,0,0|1,0,0]=2 33 B18R2.101471 NNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 MCULE-7728368949 [0,1,0,0,0,0|1,0,0]=2 34 B18R2.101471 NNC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2 MCULE-7285668323 [0,1,0,0,0,0|1,0,0]=2 35 B18R2.101471 [C@@H]12CS[C@@H]([C@@H]1NC(=O)N2)CCCCC(=O)OC MCULE-9166315307 [0,1,0,0,0,0|0,0,0]=1 36 B18R2.101471 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)NN MCULE-6519309260 [0,1,0,0,0,0|1,0,0]=2 37 B18R2.314402 O=C(O)CCCC[C@H]1SC[C@@H]2C1(NC(=O)N2)O MCULE-6686620381 [0,1,0,0,0,0|0,0,0]=1 38 B18R2.314402 [C@H]12CS[C@@H]([C@]1(NC(=O)N2)O)CCCCC(=O)O MCULE-3412353196 [0,1,0,0,0,0|0,0,0]=1 39 B18R2.522489 O=C(O)CCCCC1SCC2(C1NC(=O)N2)O MCULE-4329787281 [0,1,0,0,0,0|0,0,0]=1 40 B15R1.22765 CC1NC(=O)NC1CCCCCC(=O)O MCULE-9561288488 [1,0,1,0,0,0|0,0,0]=2 41 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-2079168323 [1,0,1,0,0,0|0,0,0]=2 42 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-5450329749 [1,0,1,0,0,0|0,0,0]=2 43 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O MCULE-7494442270 [1,0,1,0,0,0|0,0,0]=2 44 B15R2.16519 NCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 MCULE-8719581688 [2,0,0,0,0,0|1,0,0]=3 45 B15R2.16519 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCN MCULE-3522786061 [2,0,0,0,0,0|1,0,0]=3 46 B15R2.16519 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCN MCULE-8401500728 [2,0,0,0,0,0|1,0,0]=3 47 B17R1.17389 CCCC1NC(=O)NC1CCCCCC(=O)O MCULE-8019537655 [0,1,1,0,0,0|1,0,0]=3 48 B17R1.76977 NC(=O)NC1CSC(C1O)CCCCC(=O)O MCULE-8714259234 [0,1,1,0,0,0|1,0,0]=3 49 B17R1.76977 NC(=O)N[C@@H]1CS[C@H]([C@H]1O)CCCCC(=O)O MCULE-1506233890 [0,1,1,0,0,0|1,0,0]=3 50 B17R1.76977 NC(=O)N[C@@H]1CS[C@H]([C@H]1O)CCCCC(=O)O MCULE-5208808456 [0,1,1,0,0,0|1,0,0]=3 51 B17R2.73780 [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCCC#C MCULE-4789022780 [1,1,0,0,0,0|1,0,1]=4 52 B19R2.95444 O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O MCULE-3267081174 [0,2,0,0,0,0|0,0,1]=3 53 B19R2.95444 O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O MCULE-4035833608 [0,2,0,0,0,0|0,0,1]=3 54 B19R2.2089767 COC(=O)CCCCC1SCC2C1(NC(=O)N2)O MCULE-3445381721 [0,2,0,0,0,0|0,0,0]=2 55 B19R2.2089767 COC(=O)CCCC[C@H]1SC[C@@H]2[C@]1(NC(=O)N2)O MCULE-2370434750 [0,2,0,0,0,0|0,0,0]=2 56 B19R2.2089767 COC(=O)CCCC[C@H]1SC[C@@H]2[C@]1(NC(=O)N2)O MCULE-2723021468 [0,2,0,0,0,0|0,0,0]=2 57 B19R2.436478 O=NN1C(=O)N[C@H]2[C@@H]1CS[C@H]2CCCCC(=O)O MCULE-2223447640 [0,2,0,0,0,0|0,0,0]=2 58 B19R2.436478 O=NN1C(=O)N[C@H]2[C@@H]1CS[C@H]2CCCCC(=O)O MCULE-9859624542 [0,2,0,0,0,0|0,0,0]=2