0 B11R1.21 CC(=O)c1ccc(O)c(O)c1 M17870 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(C)C1=CC(O)=C(O)C=C1 M23971 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 M18658 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.21 Cc1ccc(C(=O)O)cc1C M27053 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 M16912 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 M20822 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.13 CC1=CC=C(C(C)C)CC1 M21212 [1,0,0,0,0,0|0,0,2]=3 10 B10R1.13 CC1=CCC(C(C)C)=CC1 M29208 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 M21502 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 M24608 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.48 COc1ccc(C(=O)O)cc1O M20478 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.56 COC1=CC(C(C)C)=CC=C1C M29379 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.56 COc1cc(C(C)=O)ccc1O M18655 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O M14644 [0,1,0,0,0,0|0,0,1]=2 23 B12R1.232 Cc1cc(O)c(C(C)C)cc1Cl M24920 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M13431 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 M15678 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 M24540 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.367 NCC(O)c1ccc(O)c(O)c1 M22527 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 M10329 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 M18698 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.1021 CC(C)C1=CC(=O)C(O)=CC=C1 M14672 [0,0,0,0,0,1|1,0,1]=3 31 B9R1.1 CCc1ccc(O)cc1 M20523 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.1 COC1=CC=C(F)C=C1 M14546 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.1 COC1=CC=C(O)C=C1 M12104 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 NCc1ccc(O)cc1 M27368 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 CC(=O)c1ccccc1 M20888 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.6 C[C@H](O)c1ccccc1 M19564 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.2 O=Cc1cccc(O)c1 M19537 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.2 OCc1cccc(O)c1 M19645 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.69 Cc1ccc(N)c(N)c1 M21552 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.3 CC(C)c1ccc(C=O)cc1 M20878 [1,1,0,0,0,0|0,0,1]=3 47 B11R1.3 CC(C)c1ccc(CO)cc1 M20877 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 M16461 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.159 C[C@@H](N)c1cccc(Cl)c1Cl M27651 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 M18642 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 M22804 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.278 Cc1ncc(CO)c(C)c1O M28170 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.279 COC1=C(O)C=C(C=O)C=C1 M19366 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.279 COC1=CC(O)=C(C=O)C=C1 M18979 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.280 COC1=C(O)C=CC(CN)=C1 M15732 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.280 COC1=C(O)C=CC(CO)=C1 M14667 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.3096 COC1=CC=C(C(C)=O)C(O)=C1O M24722 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.49 COc1cc(C(O)CN)ccc1O M19734 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 M14086 [0,2,0,0,0,0|2,0,0]=4 65 B13R1.466 CNCC(O)C1=CC=C(O)C(O)=C1 M14087 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 M19517 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 M14780 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 M18798 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.561 CC1=CC=CC(C)(C)CC1=O M21282 [0,0,1,1,0,0|0,0,2]=4 70 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [1,0,0,0,0,1|2,0,0]=4 71 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 M15352 [1,0,0,0,0,1|1,0,1]=4 72 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 M22104 [1,0,0,0,0,1|1,0,1]=4 73 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [1,0,0,0,0,1|1,0,0]=3