0 B11R1.91 c1ccc(cc1)COC(=O)Cl ACT05249 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.17 CCCCc1ccccn1 ACT09789 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 CCCCc1cccnc1 ACT09823 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 CNCCc1ccccn1 ACT05580 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CNCCc1ccccn1 ACT05583 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CNCCc1ccncc1 ACT01599 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.21 c1cc(ccc1CCC(=O)O)O ACT03275 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.27 c1ccc(cc1)COC(=O)CN ACT03310 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.27 c1ccc(cc1)COC(=O)CN ACT07362 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.43 C=C(Cc1ccccc1)C(=O)O ACT11687 [0,1,0,0,0,0|1,0,2]=4 12 B12R1.43 c1ccc(cc1)CC(C(=O)O)N ACT07262 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N ACT08578 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N ACT09698 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.125 c1ccc(c(c1)NCC(=O)O)F ACT09813 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [0,0,0,0,1,0|1,0,2]=4 17 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [0,0,0,0,1,0|1,0,0]=2 18 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [0,0,0,0,1,0|2,0,1]=4 19 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [0,0,0,0,1,0|1,0,2]=4 20 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,0,0,0,1,0|2,0,1]=4 21 B12R1.252 c1ccc(cc1)OCCC(=O)O ACT10118 [0,0,0,0,0,1|1,0,1]=3 22 B9R0.45 CCCC\C=C\C=C\C=O ACT06049 [1,0,1,0,0,0|1,0,0]=3 23 B9R1.8 C=CCc1ccccc1 ACT11557 [2,0,0,0,0,0|0,0,2]=4 24 B9R1.8 CNCc1ccccc1 ACT05529 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 CSSc1ccccc1 ACT06218 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 c1cc(cnc1)CCN ACT01355 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 c1ccc(cc1)CCBr ACT03430 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 c1ccc(cc1)CCCl ACT03431 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 c1ccc(cc1)CCS ACT06273 [2,0,0,0,0,0|0,1,0]=3 30 B9R1.8 c1ccnc(c1)CCBr ACT10142 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 c1cnccc1CCN ACT01588 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 c1cnccc1CCO ACT09815 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.16 CN(CCO)c1ccccn1 ACT04333 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.16 c1ccc(cc1)C(CCCl)O ACT09179 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.28 c1ccc(cc1)CCCCBr ACT04260 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.28 c1ccc(cc1)CCCCO ACT04259 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.28 c1ccc(cc1)CNCCN ACT02818 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.28 c1ccc(cc1)COCCBr ACT08864 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.28 c1cnccc1CCCCCl ACT04426 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.40 c1ccc(cc1)C[C@@H](CO)N ACT02363 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.40 c1ccc(cc1)C[C@H](CO)N ACT03137 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,1,0,0,1,0|0,0,2]=4 43 B11R1.20 c1cc(ccc1CC(=O)O)F ACT00993 [0,1,0,0,1,0|1,0,1]=4 44 B11R1.36 CC(c1ccccc1)C(=O)O ACT06839 [0,1,0,0,1,0|1,0,1]=4 45 B11R1.36 C[C@H](c1ccccc1)C(=O)O ACT10302 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.36 c1ccc(cc1)C(C(=O)O)N ACT07739 [0,1,0,0,1,0|1,0,1]=4 47 B11R1.36 c1ccc(cc1)C(C(=O)O)O ACT11898 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N ACT07779 [0,1,0,0,1,0|1,0,1]=4 49 B11R1.509 C[N+](C)(C)Cc1ccccc1 ACT05641 [0,1,0,0,1,0|2,0,0]=4 50 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N ACT05103 [0,1,0,0,0,1|1,0,1]=4 51 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N ACT05181 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N ACT05179 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br ACT09669 [0,2,0,0,0,0|1,0,1]=4 54 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br ACT04966 [0,2,0,0,0,0|1,0,1]=4 55 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F ACT05080 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br ACT09458 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br ACT09391 [0,2,0,0,0,0|1,0,1]=4 58 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N ACT07162 [0,2,0,0,0,0|0,0,2]=4 59 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N ACT08772 [0,2,0,0,0,0|0,0,2]=4 60 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N ACT02392 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.147 Cc1cccc(c1)C(CC(=O)O)N ACT05213 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.147 Cc1cccc(c1)[C@@H](CC(=O)O)N ACT10178 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N ACT05015 [0,2,0,0,0,0|1,0,1]=4 64 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N ACT04397 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N ACT10132 [0,2,0,0,0,0|1,0,1]=4 66 B13R1.643 COc1cccc(c1)CCC(=O)O ACT07174 [0,2,0,0,0,0|1,0,1]=4 67 B11R2.1 CC1CCc2c1nccn2 ACT06624 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.20 c1ccc2c(c1)NCCN2 ACT02791 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.20 c1cnc2c(n1)CCCC2 ACT06621 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.10 CC1Cc2ccccc2O1 ACT04628 [0,0,0,1,1,0|0,0,0]=2 71 B13R2.31 c1ccc(cc1)CN2CC(C2)O ACT11096 [0,0,0,1,0,1|0,0,0]=2 72 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O ACT09672 [0,0,0,1,0,1|1,0,1]=4 73 B13R2.3791 CC1(COc2c1cc(cc2)Br)C ACT11879 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.222 CC1(Nc2ccccc2CO1)C ACT09807 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.12 CCCCc1ccsc1 ACT11573 [1,0,0,0,1,0|1,0,0]=3 76 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,0,0,0,2,0|2,0,0]=4 77 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,0,0,0,2,0|2,0,0]=4 78 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,0,0,0,2,0|1,0,0]=3