0 B9R0.47 C(CCN)C[C@@H](C(=O)O)N ACT11895 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.6 C(CCN)C[C@@H](CO)N ACT07913 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.6 CCCCCC(C#C)O ACT10370 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.6 CCCCCC(C=C)O ACT05316 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.6 CCCCCC(CC)O ACT06057 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 C#CCCCCC(=O)O ACT09524 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.8 CCCCC(C(=O)O)Br ACT02064 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.98 C(CC(C(=O)O)N)CC(=O)O ACT09828 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.113 C1CC(NC(=O)C1)C(=O)O ACT09643 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O ACT10129 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O ACT09572 [0,0,0,1,0,0|2,0,1]=4 11 B7R0.1 C(CCCO)CCN ACT05269 [2,0,0,0,0,0|1,0,1]=4 12 B7R0.4 C(CCN)CC(=O)O ACT10888 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.4 CC(=O)CCCCBr ACT03439 [2,0,0,0,0,0|1,0,1]=4 14 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [2,0,0,0,0,0|2,0,0]=4 17 B9R0.55 C(CCC(=O)O)CC(=O)O ACT11881 [1,1,0,0,0,0|1,0,1]=4 18 B11R0.141 CCNC(=O)CC[C@@H](C(=O)O)N ACT11058 [0,2,0,0,0,0|1,0,1]=4 19 B11R0.142 CCCCCCC(C(=O)OC)Br ACT02600 [0,2,0,0,0,0|1,0,0]=3 20 B9R1.2 CN1CCCC(C1)CO ACT04179 [1,0,0,1,0,0|1,0,1]=4 21 B9R1.5 C1CCNC(=O)C(C1)N ACT01818 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.5 C1CCNC(=O)[C@H](C1)N ACT05209 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.5 CN1CCCCCC1=O ACT05308 [1,0,0,1,0,0|1,0,0]=3 24 B9R1.6 C1CC(CC=C1)C(=O)O ACT12046 [1,0,0,1,0,0|0,0,2]=4 25 B9R1.6 C1CC(CNC1)C(=O)N ACT04813 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.6 C1CC(CNC1)C(=O)O ACT02108 [1,0,0,1,0,0|1,0,0]=3 27 B9R1.6 C1CCNC(C1)C(=O)N ACT04811 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.6 C1CCNC(C1)C(=O)O ACT04791 [1,0,0,1,0,0|1,0,0]=3 29 B9R1.6 C1CCNC(C1)C(=O)O ACT09684 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT07825 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.6 C1CCN[C@@H](C1)C(=O)O ACT12035 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.6 C1CCN[C@H](C1)C(=O)O ACT07350 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.6 C1CNC(CN1)C(=O)O ACT02609 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.6 C1CNC(CN1)C(=O)O ACT09465 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.6 C1CNCCC1C(=O)N ACT04822 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.6 C1CNCCC1C(=O)O ACT02073 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.6 C1CN[C@@H](CN1)C(=O)O ACT02175 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.6 C1CN[C@@H](CN1)C(=O)O ACT04805 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.6 C1CN[C@H](CN1)C(=O)O ACT02151 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.6 C1CN[C@H](CN1)C(=O)O ACT04806 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.6 C1COCCC1C(=O)Cl ACT01885 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.6 C1COCCC1C(=O)O ACT04577 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.6 C1C[C@@H](CNC1)C(=O)O ACT05132 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.6 C1C[C@H](CNC1)C(=O)O ACT11798 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.6 CC(=O)C1CCOCC1 ACT08411 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O ACT02236 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O ACT08225 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O ACT02252 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.112 C1CC1C[C@H](C(=O)O)N ACT07808 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.163 C1COCC1(C(=O)O)N ACT04474 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.565 C1CC(CCC(=O)C1)C(=O)O ACT10546 [0,1,0,1,0,0|0,0,1]=3 52 B11R1.23 CN1CCCC(C1)C(=O)OC ACT04191 [0,1,0,1,0,0|1,0,0]=3 53 B11R1.23 CN1CCCC(C1)C(=O)OC ACT04191 [0,1,0,1,0,0|1,0,0]=3 54 B11R1.1074 C1COCCC1(C#N)C(=O)O ACT10411 [0,1,0,1,0,0|1,0,1]=4 55 B11R2.845 C1C2CC(C1C=C2)C(=O)O ACT11565 [0,0,0,2,0,0|0,0,2]=4 56 B11R0.46 CCCCCN(C)CCC(=O)O ACT08502 [0,0,0,0,0,2|1,0,0]=3