0 B9R1.35 C1C(N=C(S1)N)C(=O)O ACT05555 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O ACT09037 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O ACT02236 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O ACT08225 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O ACT02252 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.1 C1CC(=O)N[C@@H]1CO ACT04172 [1,0,0,0,0,0|0,0,1]=2 6 B8R1.1 C1CC(=O)N[C@H]1CO ACT04367 [1,0,0,0,0,0|0,0,1]=2 7 B8R1.7 C1C=C[C@H](N1)C(=O)O ACT02240 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 C1COC=C1C(=O)O ACT10735 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 C1C[C@@H](NC1)C(=O)N ACT05031 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.7 C1C[C@H](NC1)C(=O)N ACT05030 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.14 COC(=O)C1CC(=O)NC1 ACT09595 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 ACT08191 [0,1,0,0,0,0|0,0,0]=1 15 B10R1.359 C1CS(=O)(=O)NC1C(=O)O ACT05048 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.9 C(C(=O)NCC(=O)O)N ACT05216 [0,0,1,0,0,0|1,0,0]=2 18 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ACT11890 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.23 C([C@H](C(=O)O)N)C(=O)O ACT03145 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.23 CC(C(=O)O)NC(=O)C ACT11766 [0,0,1,0,0,0|0,0,0]=1 21 B8R0.23 C[C@@H](C(=O)O)NC(=O)C ACT00056 [0,0,1,0,0,0|0,0,0]=1 22 B8R0.23 C[C@@H](CC(=O)O)C(=O)O ACT09257 [0,0,1,0,0,0|2,0,0]=3 23 B8R0.28 CC(=O)NCCC(=O)O ACT09512 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.28 CN(C)CCCC(=O)O ACT10895 [0,0,1,0,0,0|3,0,0]=4 25 B8R1.23 C1C(CC1=O)C(=O)O ACT02726 [0,0,0,0,1,0|1,0,0]=2 26 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O ACT11996 [0,0,0,0,0,1|2,0,1]=4 27 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O ACT02784 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.13 CN1CCC(CC1)C(=O)O ACT02100 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.113 C1CC(NC(=O)C1)C(=O)O ACT09643 [0,0,0,0,0,1|0,0,0]=1 30 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O ACT10129 [0,0,0,0,0,1|0,0,0]=1 31 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O ACT09572 [0,0,0,0,0,1|0,0,0]=1 32 B7R0.3 COC(=O)CCC=O ACT08469 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.4 C(CCN)CC(=O)O ACT10888 [1,0,1,0,0,0|0,0,1]=3 34 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [1,0,1,0,0,0|0,0,1]=3 38 B7R0.6 CC(=O)CCC(=O)C ACT02799 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.6 CC(=O)NCC(=O)O ACT08307 [1,0,1,0,0,0|0,0,0]=2 40 B7R0.15 CNC(CS)C(=O)O ACT09439 [1,0,1,0,0,0|1,0,1]=4 41 B7R1.1 C1CC(NC1)CO ACT09769 [2,0,0,0,0,0|0,0,2]=4 42 B7R1.1 C1C[C@@H](NC1)CO ACT04141 [2,0,0,0,0,0|0,0,2]=4 43 B7R1.1 C1C[C@H](NC1)CO ACT04140 [2,0,0,0,0,0|0,0,2]=4 44 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [2,0,0,0,0,0|1,0,1]=4 45 B7R1.2 C1CC(=O)OC1=O ACT11409 [2,0,0,0,0,0|1,0,1]=4 46 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N ACT11917 [0,1,1,0,0,0|0,0,0]=2 48 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N ACT08602 [0,1,1,0,0,0|0,0,0]=2 49 B9R0.8 COC(=O)[C@@H](CCCN)N ACT05208 [0,1,1,0,0,0|1,0,1]=4 50 B9R0.47 C(CCN)C[C@@H](C(=O)O)N ACT11895 [0,1,1,0,0,0|1,0,1]=4 51 B9R0.53 C(C(=O)CC(=O)O)C(=O)O ACT11652 [0,1,1,0,0,0|1,0,1]=4 52 B9R1.11 COC(=O)C1CCCN1 ACT02244 [1,1,0,0,0,0|0,0,1]=3 53 B9R1.11 COC(=O)[C@H]1CCCN1 ACT08555 [1,1,0,0,0,0|0,0,1]=3 54 B9R1.163 C1COCC1(C(=O)O)N ACT04474 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.15 CCOC(=O)N1CCC(=O)C1 ACT04863 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.6 C1CC(CC=C1)C(=O)O ACT12046 [0,0,1,1,0,0|2,0,0]=4 57 B9R1.6 C1CCNC(C1)C(=O)O ACT04791 [0,0,1,1,0,0|1,0,1]=4 58 B9R1.6 C1CCNC(C1)C(=O)O ACT09684 [0,0,1,1,0,0|1,0,1]=4 59 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT07825 [0,0,1,1,0,0|1,0,1]=4 60 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT12035 [0,0,1,1,0,0|1,0,1]=4 61 B9R1.6 C1CCN[C@H](C1)C(=O)O ACT07350 [0,0,1,1,0,0|1,0,1]=4 62 B9R1.112 C1CC1C[C@H](C(=O)O)N ACT07808 [0,0,1,1,0,0|1,0,1]=4 63 B9R2.39 C1C2C=CC1NC2=O ACT05289 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [1,0,0,0,1,0|0,0,0]=2 65 B9R0.55 C(CCC(=O)O)CC(=O)O ACT11881 [0,0,1,0,0,1|1,0,0]=3 66 B11R1.565 C1CC(CCC(=O)C1)C(=O)O ACT10546 [0,0,0,0,0,2|1,0,0]=3