0 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 CSCC[C@@H](CO)N ACT04170 [1,0,0,0,0,0|0,0,1]=2 2 B7R0.3 CSCC[C@H](CO)N ACT03140 [1,0,0,0,0,0|0,0,1]=2 3 B7R0.4 C(CCN)CC(=O)O ACT10888 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 CC(=O)CCCCBr ACT03439 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N ACT11917 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N ACT08602 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.8 CCCCC(C(=O)OC)Br ACT02534 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.8 COC(=O)[C@@H](CCCN)N ACT05208 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.47 C(CCN)C[C@@H](C(=O)O)N ACT11895 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.5 C1CCNC(=O)C(C1)N ACT01818 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.5 C1CCNC(=O)[C@H](C1)N ACT05209 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.6 C1CC(CC=C1)C(=O)O ACT12046 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 C1CC(CNC1)C(=O)O ACT02108 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.6 C1CCNC(C1)C(=O)N ACT04811 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 C1CCNC(C1)C(=O)O ACT04791 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.6 C1CCNC(C1)C(=O)O ACT09684 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT07825 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT12035 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.6 C1CCN[C@H](C1)C(=O)O ACT07350 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.6 C1CNC(CN1)C(=O)O ACT02609 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.6 C1CNC(CN1)C(=O)O ACT09465 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.6 C1CNCCC1C(=O)N ACT04822 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.6 C1CNCCC1C(=O)O ACT02073 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.6 C1CN[C@@H](CN1)C(=O)O ACT02175 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.6 C1CN[C@@H](CN1)C(=O)O ACT04805 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.6 C1CN[C@H](CN1)C(=O)O ACT02151 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.6 C1CN[C@H](CN1)C(=O)O ACT04806 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.6 C1COCCC1C(=O)Cl ACT01885 [0,0,0,1,0,0|2,1,0]=4 33 B9R1.6 C1COCCC1C(=O)O ACT04577 [0,0,0,1,0,0|1,1,0]=3 34 B9R1.6 C1C[C@@H](CNC1)C(=O)O ACT05132 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.6 C1C[C@H](CNC1)C(=O)O ACT11798 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.6 CC(=O)C1CCOCC1 ACT08411 [0,0,0,1,0,0|2,1,0]=4 37 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O ACT09037 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.112 C1CC1C[C@H](C(=O)O)N ACT07808 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.163 C1COCC1(C(=O)O)N ACT04474 [0,0,0,1,0,0|0,1,0]=2 40 B6R0.1 CCCC(C=C)O ACT06034 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 C(CC(=O)O)CN ACT11886 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 CC(=O)CCCO ACT07203 [2,0,0,0,0,0|1,1,0]=4 43 B6R0.4 CCCSC(=O)C ACT06394 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.3 C(C(C(=O)O)N)O ACT07798 [2,0,0,0,0,0|0,1,0]=3 45 B6R0.3 C([C@@H](C(=O)N)N)O ACT05215 [2,0,0,0,0,0|1,1,0]=4 46 B6R0.3 C([C@@H](C(=O)O)N)O ACT08366 [2,0,0,0,0,0|0,1,0]=3 47 B6R0.3 CC(CN)C(=O)O ACT09241 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 CCC(C(=O)C)S ACT06317 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 CCC(C(=O)O)Br ACT02003 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.3 CC[C@@H](C(=O)O)N ACT03155 [2,0,0,0,0,0|0,0,0]=2 51 B8R0.6 C(CCN)C[C@@H](CO)N ACT07913 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.7 C#CCCCCC(=O)O ACT09524 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.28 CC(=O)NCCC(=O)O ACT09512 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.28 CN(C)CCCC(=O)O ACT10895 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC ACT05274 [1,1,0,0,0,0|0,1,0]=3 56 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ACT11890 [1,1,0,0,0,0|0,1,1]=4 57 B8R0.23 C([C@H](C(=O)O)N)C(=O)O ACT03145 [1,1,0,0,0,0|0,1,1]=4 58 B8R0.23 CC(C)C[C@@H](C(=O)N)N ACT07151 [1,1,0,0,0,0|1,0,0]=3 59 B10R0.96 C(CC(=O)O)C(CC(=O)O)N ACT04894 [0,1,0,0,0,1|2,0,0]=4 60 B10R0.57 COC(=O)[C@H](CCC(=O)N)N ACT09544 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.19 CCCCC(C(=O)OCC)Br ACT02550 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.46 COC(=O)C[C@@H](C(=O)OC)N ACT07875 [0,2,0,0,0,0|0,1,1]=4 63 B10R0.46 COC(=O)C[C@H](C(=O)OC)N ACT08612 [0,2,0,0,0,0|0,1,1]=4 64 B10R0.98 C(CC(C(=O)O)N)CC(=O)O ACT09828 [0,2,0,0,0,0|1,0,1]=4 65 B8R1.2 C1CCNC(C1)CO ACT02103 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.2 C1CCN[C@@H](C1)CO ACT09705 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.2 C1CCN[C@H](C1)CO ACT09534 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.2 C1COCCC1C=O ACT10828 [1,0,0,1,0,0|1,1,0]=4 69 B8R1.5 C1C[C@@H](C(=O)NC1)N ACT09712 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.7 C1COC[C@H]1C(=O)O ACT09087 [1,0,0,1,0,0|0,1,0]=3 71 B8R1.7 C1C[C@@H](NC1)C(=O)O ACT05623 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.18 C1[C@H](C(=O)OC1=O)N ACT04893 [1,0,0,1,0,0|0,1,1]=4 73 B8R1.78 C1CC(C1)(C(=O)O)N ACT10736 [1,0,0,1,0,0|0,0,0]=2 74 B10R1.18 C1COCCC1CC(=O)O ACT01894 [0,0,0,1,0,1|1,1,0]=4 75 B10R1.61 C1COC[C@@H]([C@@H]1C(=O)O)N ACT07935 [0,0,0,1,0,1|2,0,0]=4 76 B10R1.275 CN1CCCC[C@@H](C1=O)N ACT10698 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O ACT11996 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O ACT02784 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.13 CN1CCC(CC1)C(=O)O ACT02100 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.359 C1CS(=O)(=O)NC1C(=O)O ACT05048 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 ACT08191 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.15 COC(=O)C1CCCCN1 ACT04827 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.15 COC(=O)C1CCNCC1 ACT02120 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.15 COC(=O)C1CCNCC1 ACT10169 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.15 COC(=O)[C@H]1CCCCN1 ACT09726 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.15 COC(=O)[C@H]1CNCCN1 ACT09970 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.113 C1CC(NC(=O)C1)C(=O)O ACT09643 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O ACT10129 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O ACT09572 [0,1,0,1,0,0|1,0,1]=4