0 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 M19368 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.166 CC1=CC(=O)C(C(C)C)CC1 M21322 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 M16461 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 M13213 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 M15241 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 M15490 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 M14758 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 O=C(O)c1ccc(O)cc1O M20617 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.13 CC1=CC=C(C(C)C)CC1 M21212 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC1=CCC(C(C)C)=CC1 M29208 [1,0,0,0,0,0|0,0,2]=3 15 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 M21502 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.25 CCc1ccc(C)cc1O M27942 [1,0,0,0,0,0|0,0,0]=1 20 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.25 O=Cc1ccc(O)cc1O M29441 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.61 CC(=O)c1ccccc1C M28091 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O M14644 [0,1,0,0,0,0|0,0,1]=2 29 B12R1.232 Cc1cc(O)c(C(C)C)cc1Cl M24920 [0,1,0,0,0,0|0,0,0]=1 30 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 M18258 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M15001 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O M18613 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M23976 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.1 CCc1ccc(O)cc1 M20523 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 COC1=CC=C(F)C=C1 M14546 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 COC1=CC=C(O)C=C1 M12104 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 NCc1ccc(O)cc1 M27368 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 CC(=O)c1ccccc1 M20888 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.6 C[C@H](O)c1ccccc1 M19564 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.15 COC1=CC=CC=C1O M16473 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.15 NCc1ccccc1O M28366 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.15 OCc1ccccc1O M16468 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.69 Cc1ccc(N)c(N)c1 M21552 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.3 CC(C)c1ccc(C=O)cc1 M20878 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.3 CC(C)c1ccc(CO)cc1 M20877 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.21 CC(C)C1=CC(O)=C(O)C=C1 M23971 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 M18658 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.37 COc1ccc(O)cc1OC M18212 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.279 COC1=C(O)C=C(C=O)C=C1 M19366 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.279 COC1=CC(O)=C(C=O)C=C1 M18979 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.159 C[C@@H](N)c1cccc(Cl)c1Cl M27651 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 M18642 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [1,1,0,0,0,0|1,0,1]=4 61 B13R1.3096 COC1=CC=C(C(C)=O)C(O)=C1O M24722 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.424 CC1=C(C=O)C(C)(C)CC=C1 M29251 [0,0,1,1,0,0|0,0,2]=4 63 B11R2.36 Oc1ccc2c(c1)OCO2 M18752 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [1,0,0,0,0,1|2,0,0]=4