0 B9R0.47 C=CCCC[C@H](N)C(=O)O CP27693 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.47 C=CCSCC(N)C(=O)O CP02401 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.47 C=CCSC[C@@H](N)C(=O)O CP02403 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.47 C=CCSC[C@H](N)C(=O)O CP02402 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.47 C=CCSC[C@H](N)C(=O)O CP02404 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.47 CCCCCC(N)C(=O)O CP03601 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.47 CCCCC[C@@H](N)C(=O)O CP03603 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.47 CCCCC[C@H](N)C(=O)O CP03602 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.47 CCSCCC(N)C(=O)O CP06001 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.47 CCSCC[C@@H](N)C(=O)O CP06003 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.47 CCSCC[C@H](N)C(=O)O CP06002 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.47 NCCCCC(N)C(=O)O CP01403 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.47 NCCCCC(N)C(=O)O CP01406 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01401 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01404 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.47 NCCCC[C@@H](N)C(N)=O CP26753 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.47 NCCCC[C@H](N)C(=O)O CP01402 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.47 NCCCC[C@H](N)C(=O)O CP01405 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.47 NCCCC[C@H](N)C(=O)O CP01407 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.47 NCCCC[C@H](N)C(N)=O CP27160 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.47 NCCSC[C@H](N)C(=O)O CP27097 [0,0,0,0,0,0|1,0,1]=2 21 B9R0.47 NC\C=C\CC(N)C(=O)O CP27083 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.47 N[C@@H](CSCCO)C(=O)O AAD-010 [0,0,0,0,0,0|1,0,1]=2 23 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O CP26102 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O CP26241 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.7 NCCCCCC(=O)O CP03101 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.8 CCCCC(N)C(=O)O CP08503 [1,0,0,0,0,0|0,0,2]=3 27 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [1,0,0,0,0,0|0,0,2]=3 28 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [1,0,0,0,0,0|0,0,2]=3 29 B8R0.8 CCCC[C@H](N)C(N)=O CP27605 [1,0,0,0,0,0|1,0,2]=4 30 B8R0.8 CSCCC(N)C(=O)O CP01503 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.8 CSCC[C@@H](N)C(=O)O CP01501 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.8 CSCC[C@H](N)C(=O)O CP25961 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.8 CSCC[C@H](N)C(N)=O CP25419 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.8 NOCCC(N)C(=O)O CP04801 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CP25138 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.42 C=CCCC[C@@](C)(N)C(=O)O Q-OS-0003 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.42 C=CCCC[C@](C)(N)C(=O)O Q-OS-0015 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.75 C=CCCCC[C@H](N)C(=O)O CP27690 [0,1,0,0,0,0|1,0,0]=2 42 B10R0.75 CCCCCCC(N)C(=O)O CP03201 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.75 CCCCCC[C@@H](N)C(=O)O CP03203 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.75 CCCCCC[C@H](N)C(=O)O CP03202 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.75 CNCCCC[C@H](N)C(=O)O CP27439 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O CP25398 [0,1,0,0,0,0|3,0,0]=4 47 B10R0.82 NCC(O)CCC(N)C(=O)O CP07102 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.83 COC(=O)[C@@H](N)CCCCN CP01473 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.86 CN[C@@H](CCCCN)C(=O)O CP27424 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CP25202 [0,1,0,0,0,0|2,0,1]=4 51 B10R0.98 NC(CCCC(=O)O)C(=O)O CP02703 [0,1,0,0,0,0|2,0,0]=3 52 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CP02702 [0,1,0,0,0,0|2,0,0]=3 53 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 10-101-113 [0,1,0,0,0,0|1,0,0]=2 54 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CP27194 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CP25667 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CP25666 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.363 NC1(C(=O)O)CCCCC1 CP25699 [0,0,0,1,0,0|1,0,2]=4 58 B10R0.6 NCCCC[C@H](N)CC(=O)O CP27650 [0,0,0,0,0,1|2,0,1]=4 59 B7R0.4 C=CCNCC(=O)O CP25888 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.4 NCCCCC(=O)O CP04601 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.5 C#CCC(N)C(=O)O CP08903 [2,0,0,0,0,0|0,0,2]=4 62 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [2,0,0,0,0,0|0,0,2]=4 63 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [2,0,0,0,0,0|0,0,2]=4 64 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.5 C=CCC(N)C(=O)O CP02601 [2,0,0,0,0,0|0,0,0]=2 66 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [2,0,0,0,0,0|0,0,0]=2 67 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [2,0,0,0,0,0|0,0,0]=2 68 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [2,0,0,0,0,0|0,0,0]=2 69 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [2,0,0,0,0,0|0,0,1]=3 70 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [2,0,0,0,0,0|0,0,1]=3 71 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [2,0,0,0,0,0|0,0,0]=2 73 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.5 NC(CCO)C(=O)O CP06601 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.5 NCCC(N)C(=O)O CP05302 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [2,0,0,0,0,0|1,0,0]=3 81 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [1,1,0,0,0,0|0,1,1]=4 82 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [1,1,0,0,0,0|0,1,1]=4 83 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CP26661 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CP26796 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.7 NC(=O)SC[C@H](N)C(=O)O CP26756 [1,1,0,0,0,0|1,0,0]=3 92 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CP27307 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CP26595 [1,1,0,0,0,0|2,0,0]=4 94 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [1,1,0,0,0,0|1,0,0]=3 95 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [1,1,0,0,0,0|1,0,0]=3 96 B9R0.13 CCCC[C@H](NC)C(=O)O CP26514 [1,1,0,0,0,0|0,0,2]=4 97 B9R0.13 CN[C@@H](CCCN)C(=O)O CP26477 [1,1,0,0,0,0|1,0,1]=4 98 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O CP26646 [0,2,0,0,0,0|0,0,1]=3 99 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CP00642 [0,2,0,0,0,0|0,0,1]=3 100 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CP25709 [0,2,0,0,0,0|0,0,1]=3 101 B11R0.29 N=C(N)NCCCC(N)C(=O)O CP00203 [0,2,0,0,0,0|2,0,0]=4 102 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CP00201 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CP25952 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CP00202 [0,2,0,0,0,0|2,0,0]=4 105 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CP00204 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O CP04701 [0,2,0,0,0,0|2,0,0]=4 107 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CP25810 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.29 NC(CCCCC(=O)O)C(=O)O CP03501 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.42 C=CCCCCC[C@H](N)C(=O)O CP27688 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O CP02705 [0,2,0,0,0,0|1,0,1]=4 111 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O CP05101 [0,2,0,0,0,0|2,0,0]=4 112 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O CP05104 [0,2,0,0,0,0|2,0,0]=4 113 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O CP05102 [0,2,0,0,0,0|2,0,0]=4 114 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O CP05103 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.35 NC1=NC(C(=O)O)CS1 CP25616 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CP26611 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.112 N[C@@H](CC1CC1)C(=O)O CP21301 [1,0,0,1,0,0|0,0,2]=4 120 B9R1.112 N[C@H](CC1CC1)C(=O)O CP21302 [1,0,0,1,0,0|0,0,2]=4 121 B9R1.163 NC1(C(=O)O)CCCC1 CP19701 [1,0,0,1,0,0|0,0,2]=4 122 B11R1.35 NC(CC1=CC=CS1)C(=O)O CP24203 [0,1,0,1,0,0|0,0,1]=3 123 B11R1.35 NC(CC1=CCCC1)C(=O)O CP27574 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.35 NC(CC1=CNC=N1)C(=O)O CP01003 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.35 NC(CC1=NC=CS1)C(=O)O CP26440 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O CP21701 [0,1,0,1,0,0|0,1,1]=4 127 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CP24201 [0,1,0,1,0,0|0,0,1]=3 128 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O CP01002 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O CP24001 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CP24202 [0,1,0,1,0,0|0,0,1]=3 131 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O CP01001 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O CP24002 [0,1,0,1,0,0|2,0,0]=4