0 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O CP26646 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CP00642 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CP25709 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O CP26822 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.29 N=C(N)NCCCC(N)C(=O)O CP00203 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CP00201 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CP25952 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.29 N=C(N)NCCC[C@@H](N)C(N)=O CP25578 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CP00202 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CP00204 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.29 N=C(N)NCCC[C@H](N)C(N)=O CP00238 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O CP04902 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O CP04701 [0,0,0,0,0,0|1,0,1]=2 13 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CP25810 [0,0,0,0,0,0|1,0,1]=2 14 B11R0.29 NC(CCCCC(=O)O)C(=O)O CP03501 [0,0,0,0,0,0|3,0,0]=3 15 B10R0.75 C=CCCCC[C@H](N)C(=O)O CP27690 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.75 CCCCCCC(N)C(=O)O CP03201 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.75 CCCCCC[C@@H](N)C(=O)O CP03203 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.75 CCCCCC[C@H](N)C(=O)O CP03202 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.75 CNCCCC[C@H](N)C(=O)O CP27439 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O CP25398 [1,0,0,0,0,0|1,0,1]=3 21 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N CP00241 [0,1,0,0,0,0|0,0,2]=3 22 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N CP26052 [0,1,0,0,0,0|0,0,2]=3 23 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O 10-101-117 [0,1,0,0,0,0|0,0,2]=3 24 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O CP26427 [0,1,0,0,0,0|0,0,2]=3 25 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O CP26498 [0,1,0,0,0,0|0,0,2]=3 26 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O CP26428 [0,1,0,0,0,0|1,0,2]=4 27 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O CP05601 [0,1,0,0,0,0|3,0,0]=4 28 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O CP05603 [0,1,0,0,0,0|3,0,0]=4 29 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O CP05602 [0,1,0,0,0,0|3,0,0]=4 30 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O CP05604 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CP25202 [0,0,0,0,1,0|2,0,1]=4 32 B10R0.98 NC(CCCC(=O)O)C(=O)O CP02703 [0,0,0,0,1,0|2,0,0]=3 33 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CP02702 [0,0,0,0,1,0|2,0,0]=3 34 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 10-101-113 [0,0,0,0,1,0|3,0,0]=4 35 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CP27194 [0,0,0,0,1,0|2,0,0]=3 36 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O CP27190 [0,0,0,0,0,1|1,0,2]=4 37 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O CP27161 [0,0,0,0,0,1|2,0,1]=4 38 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O CP27367 [0,0,0,0,0,1|2,0,1]=4 39 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O CP06101 [0,0,0,0,0,1|0,0,2]=3 40 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O CP26429 [0,0,0,0,0,1|0,0,2]=3 41 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O CP06203 [0,0,0,0,0,1|1,0,1]=3 42 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O CP06201 [0,0,0,0,0,1|1,0,1]=3 43 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O CP06202 [0,0,0,0,0,1|1,0,1]=3 44 B12R0.42 NC(CCCCCC(=O)O)C(=O)O CP04303 [0,0,0,0,0,1|3,0,0]=4 45 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O CP04301 [0,0,0,0,0,1|3,0,0]=4 46 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O CP04302 [0,0,0,0,0,1|3,0,0]=4 47 B9R0.2 NCCCCCCC(=O)O CP03701 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.2 [N-]=[N+]=NCCCCC(=O)O CP27488 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.47 C=CCCC[C@H](N)C(=O)O CP27693 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.47 C=CCSCC(N)C(=O)O CP02401 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.47 C=CCSC[C@@H](N)C(=O)O CP02403 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.47 C=CCSC[C@H](N)C(=O)O CP02402 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.47 C=CCSC[C@H](N)C(=O)O CP02404 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.47 CCCCCC(N)C(=O)O CP03601 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.47 CCCCC[C@@H](N)C(=O)O CP03603 [2,0,0,0,0,0|1,0,1]=4 56 B9R0.47 CCCCC[C@H](N)C(=O)O CP03602 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.47 NCCCCC(N)C(=O)O CP01403 [2,0,0,0,0,0|0,0,1]=3 58 B9R0.47 NCCCCC(N)C(=O)O CP01406 [2,0,0,0,0,0|0,0,1]=3 59 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01401 [2,0,0,0,0,0|0,0,1]=3 60 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01404 [2,0,0,0,0,0|0,0,1]=3 61 B9R0.47 NCCCC[C@@H](N)C(N)=O CP26753 [2,0,0,0,0,0|1,0,1]=4 62 B9R0.47 NCCCC[C@H](N)C(=O)O CP01402 [2,0,0,0,0,0|0,0,1]=3 63 B9R0.47 NCCCC[C@H](N)C(=O)O CP01405 [2,0,0,0,0,0|0,0,1]=3 64 B9R0.47 NCCCC[C@H](N)C(=O)O CP01407 [2,0,0,0,0,0|0,0,1]=3 65 B9R0.47 NCCCC[C@H](N)C(N)=O CP27160 [2,0,0,0,0,0|1,0,1]=4 66 B9R0.47 NCCSC[C@H](N)C(=O)O CP27097 [2,0,0,0,0,0|1,0,1]=4 67 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O CP26102 [2,0,0,0,0,0|1,0,1]=4 68 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O CP26241 [2,0,0,0,0,0|1,0,1]=4 69 B11R0.42 C=CCCCCC[C@H](N)C(=O)O CP27688 [1,1,0,0,0,0|2,0,0]=4 70 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O CP05101 [0,1,0,0,1,0|2,0,0]=4 71 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O CP05104 [0,1,0,0,1,0|2,0,0]=4 72 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O CP05102 [0,1,0,0,1,0|2,0,0]=4 73 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O CP05103 [0,1,0,0,1,0|2,0,0]=4 74 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N CP00240 [0,2,0,0,0,0|0,0,2]=4 75 B13R0.1121 C\N=C(/NC)NCCC[C@H](N)C(=O)O Q-OS-0043 [0,2,0,0,0,0|0,0,2]=4 76 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [0,0,0,0,2,0|1,0,0]=3 77 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [0,0,0,0,2,0|1,0,0]=3 78 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CP26661 [0,0,0,0,2,0|2,0,0]=4 79 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [0,0,0,0,2,0|1,0,0]=3 80 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [0,0,0,0,2,0|1,0,0]=3 81 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CP26796 [0,0,0,0,2,0|2,0,0]=4 82 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [0,0,0,0,2,0|1,0,1]=4 83 B9R0.7 NC(=O)SC[C@H](N)C(=O)O CP26756 [0,0,0,0,2,0|2,0,0]=4 84 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [0,0,0,0,2,0|2,0,0]=4 85 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [0,0,0,0,2,0|2,0,0]=4