0 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.2 NCc1ccnc(Cl)c1 M20701 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.2 O=Cc1cccc(O)c1 M19537 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.2 OCc1cccc(O)c1 M19645 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.2 [O-][N+]1=CC=CC(CO)=C1 M15672 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 M15352 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 M22104 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.157 O=C(O)Cc1cccc(O)c1 M19649 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.189 COc1cccc(CCN)c1 M21105 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 M22804 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [0,1,0,0,0,0|1,0,0]=2 23 B11R2.36 Oc1ccc2c(c1)OCO2 M18752 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.7 CN1C=NC(CCN)=C1 M22893 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.33 Cn1cncc1CCN M19737 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|0,0,0]=2 29 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.4 OC1=CC=CC(O)=C1 M19514 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.4 Oc1cccc(O)n1 M19540 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.2 CCc1occc(=O)c1O M20268 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 M13096 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.8 COc1cc(O)cc(O)c1 M28969 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.30 CCc1nc(C)ccc1O M21129 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.30 CCc1nc(C)ccc1O M22196 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.30 COC1=CC(C)=CC=C1O M24986 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.30 O=Cc1cc(O)ccc1O M29262 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.15 NCC(O)c1ccccc1 M19713 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.17 CNCCc1ccccn1 M18815 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 M20518 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M15335 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 M24587 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 M14132 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.225 NC(C(=O)O)c1cccc(O)c1 M27697 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.225 O=C(O)C(O)c1cccc(O)c1 M20931 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.225 [C@@H](N)(C(=O)O)C1=CC(O)=CC=C1 M27701 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 M15678 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 M24540 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.367 NCC(O)c1ccc(O)c(O)c1 M22527 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 M10329 [0,2,0,0,0,0|0,0,0]=2 80 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 M18698 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.226 O=C(O)CCc1cccc(O)c1 M20847 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 M19538 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 M18561 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.438 COc1cccc(CC(=O)O)c1 M22652 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.1123 NCCc1cc(O)c(O)cc1O M22428 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.1123 NCCc1cc(O)c(O)cc1O M22559 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 M16881 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.286 COC1=CC(CCO)=CC=C1O M24097 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.286 COc1cc(CCN)ccc1O M19566 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.286 COc1cc(CCN)ccc1O M21424 [0,2,0,0,0,0|0,0,0]=2 91 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|1,0,0]=3 92 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,1,0,0|1,0,1]=4 93 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.24 Brc1ccc2c(c1)NCCC2 M27587 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [0,1,0,1,0,0|0,0,1]=3 96 B12R2.221 OC1=CC=C(Cl)C2=C1CCC2 M11981 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.8 NCCC1=CN=CN1 M14782 [1,0,0,0,1,0|2,0,0]=4 98 B8R1.8 NCCC1=CNC=N1 M18704 [1,0,0,0,1,0|2,0,0]=4