0 B11R1.280 C=Cc1ccc(O)c(OC)c1 M21316 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.280 COC1=C(O)C=CC(CN)=C1 M15732 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.280 COC1=C(O)C=CC(CO)=C1 M14667 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.280 COC1=CC(C=O)=CC=C1O M10798 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.30 CCc1nc(C)ccc1O M21129 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.30 CCc1nc(C)ccc1O M22196 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.30 COC1=CC(C)=CC=C1O M24986 [1,0,0,0,0,0|0,0,1]=2 7 B10R1.30 O=Cc1cc(O)ccc1O M29262 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [1,0,0,0,0,0|0,0,0]=1 10 B12R1.56 COC1=CC(C(C)C)=CC=C1C M29379 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.56 COc1cc(C(=O)O)ccc1O M19373 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.56 COc1cc(C(C)=O)ccc1O M18655 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.78 COC1=C(OC)C=C(CO)C=C1 M16658 [0,1,0,0,0,0|0,0,2]=3 14 B12R1.78 COc1ccc(C=O)cc1OC M20321 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 M10795 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 M16881 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.286 COC1=CC(CCO)=CC=C1O M24097 [0,1,0,0,0,0|0,0,2]=3 18 B12R1.286 COc1cc(CCN)ccc1O M19566 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.286 COc1cc(CCN)ccc1O M21424 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 M19297 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 M19333 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.2 O=Cc1cccc(O)c1 M19537 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.2 OCc1cccc(O)c1 M19645 [2,0,0,0,0,0|0,0,2]=4 25 B9R1.15 COC1=CC=CC=C1O M16473 [2,0,0,0,0,0|0,0,0]=2 26 B9R1.15 NCc1ccccc1O M28366 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 OCc1ccccc1O M16468 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.69 CC1=C(Cl)C=CC(O)=C1 M19507 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.69 Cc1cc(O)ccc1O M25013 [2,0,0,0,0,0|0,0,1]=3 30 B9R1.69 Cc1ccc(O)c(N)c1 M28689 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.69 Cc1ccc(O)c(O)c1 M19606 [2,0,0,0,0,0|0,0,1]=3 32 B9R1.69 NC1=C(O)C=C(F)C=C1 M14927 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.69 OC1=CC=C(Cl)C=C1O M28227 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.69 Oc1ccc(Cl)cc1Cl M20889 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.1 C=Cc1ccc(O)cc1 M26541 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 CCc1ccc(O)cc1 M20523 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.1 COC1=CC=C(O)C=C1 M12104 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 NCc1ccc(O)cc1 M27368 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [2,0,0,0,0,0|0,0,0]=2 40 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [2,0,0,0,0,0|0,0,2]=4 41 B11R1.37 COc1ccc(O)cc1OC M18212 [1,1,0,0,0,0|0,0,1]=3 42 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 M18642 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.9 COc1cc(O)cc(OC)c1 M20875 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.189 COc1cccc(CCN)c1 M21105 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.266 COc1cccc(C(=O)O)c1 M20595 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.266 COc1cccc(C(N)=O)c1 M20861 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.267 COc1cccc(C=O)c1O M23637 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.267 COc1cccc(OC)c1O M29346 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.14 O=Cc1cc(O)c(O)c(O)c1 M21222 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.21 CC(=O)c1ccc(O)c(O)c1 M17870 [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|1,0,1]=4 52 B11R1.21 CN1C=C(C(N)=O)C=CC1=O M21413 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.21 Cc1cc(C(=O)O)ccc1O M20003 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.21 Cc1ccc(C(=O)O)cc1C M27053 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.21 Cn1cc(C(=O)O)ccc1=O M20579 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.21 Nc1cc(C(=O)O)ccc1O M19570 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 M16912 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 M20822 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.21 O=[N+]([O-])c1ccc(O)c(Cl)c1 M28691 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 M22804 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [1,1,0,0,0,0|0,0,2]=4 64 B11R1.279 COC1=C(O)C=C(C=O)C=C1 M19366 [1,1,0,0,0,0|0,0,0]=2 65 B13R1.13 CC(=O)C1=CC(C(=O)O)=C(O)C=C1 M11251 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(O)C=C1 M15412 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 M14356 [0,2,0,0,0,0|0,0,0]=2 68 B13R1.49 COc1cc(C(O)CN)ccc1O M19734 [0,2,0,0,0,0|0,0,2]=4 69 B13R1.50 COC1=C(O)C=CC(S(=O)(=O)[O-])=C1 M11295 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.50 COC1=C(O)C=CC(S(=O)(=O)[O-])=C1 M15952 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.298 COc1cc(C(=O)O)cc(O)c1O M29069 [0,2,0,0,0,0|0,0,0]=2 72 B13R1.3091 COc1ccc(C(=O)O)cc1OC M17718 [0,2,0,0,0,0|0,0,0]=2 73 B13R1.3091 COc1ccc(C(N)=O)cc1OC M28208 [0,2,0,0,0,0|0,0,0]=2 74 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 M19264 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 M16669 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.386 COc1ccc(CCN)cc1OC M28605 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.386 C\C=C\c1ccc(OC)c(OC)c1 M20366 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 M18398 [0,2,0,0,0,0|0,0,0]=2 79 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 M18564 [0,2,0,0,0,0|0,0,0]=2 80 B13R1.575 COc1cc(\C=C\C=O)ccc1O M29292 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.575 COc1cc(\C=C\CO)ccc1O M18563 [0,2,0,0,0,0|0,0,1]=3 82 B13R1.433 C=Cc1cc(OC)c(O)c(OC)c1 M29420 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.433 COc1cc(C=O)cc(OC)c1O M17967 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.433 COc1cc(CO)cc(OC)c1O M21335 [0,2,0,0,0,0|0,0,2]=4 85 B11R2.36 Oc1ccc2c(c1)OCO2 M18752 [1,0,0,1,0,0|0,0,1]=3 86 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 M23665 [0,1,0,1,0,0|1,0,1]=4 87 B13R2.430 O=C(O)c1ccc2c(c1)OCO2 M29388 [0,1,0,1,0,0|0,0,0]=2