0 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CCOCc1ccccc1 M28093 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 CNCCc1ccccn1 M18815 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 NNCCc1ccccc1 M22671 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 NNCCc1ccccc1 M28381 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.18 CC(=S)Nc1ccccc1 M27241 [1,0,0,0,0,0|1,1,0]=3 16 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,1,0,0|1,0,0]=2 26 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,0,0,0,1,0|1,0,0]=2 28 B10R1.15 CNC(=O)c1cccnc1 M20018 [0,0,0,0,1,0|2,0,0]=3 29 B10R1.15 COC(=O)c1ccccn1 M27521 [0,0,0,0,1,0|1,0,0]=2 30 B10R1.15 COC(=O)c1cccnc1 M20301 [0,0,0,0,1,0|1,0,0]=2 31 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.27 COC(=O)CCc1ccccc1 M28729 [0,0,0,0,0,1|0,0,0]=1 36 B12R1.27 COC(=O)\C=C\c1ccccc1 M20228 [0,0,0,0,0,1|0,0,1]=2 37 B9R1.8 CCOC1=CC=CC=C1 M23245 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.8 CNCc1ccccc1 M21326 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 NCCc1ccccc1 M18943 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.8 NCCc1ccccc1 M20880 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.8 O=CCC1=CC=CC=C1 M17893 [2,0,0,0,0,0|0,0,0]=2 42 B9R1.8 OCCC1=CC=CC=C1 M15237 [2,0,0,0,0,0|0,0,1]=3 43 B9R1.8 OCCC1=CC=CC=N1 M10186 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.8 O\N=C\c1ccccc1 M27255 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.91 CC(=O)NCc1ccccc1 M22662 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.91 CC(=O)OCc1ccccc1 M20248 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [1,1,0,0,0,0|0,0,1]=3 56 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [1,1,0,0,0,0|0,0,1]=3 57 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [1,1,0,0,0,0|0,0,1]=3 59 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.86 O=C(O)Cc1ccccc1O M20039 [1,1,0,0,0,0|0,0,0]=2 62 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 M15352 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 M19519 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 M22104 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.157 O=C(O)Cc1cccc(O)c1 M19649 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 M14093 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 M15995 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,1,0,0,1,0|1,0,0]=3 70 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,1,0,0,1,0|0,0,0]=2 71 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [0,1,0,0,1,0|1,0,0]=3 72 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,1,0,0,1,0|2,0,0]=4 73 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.23 COC(=O)C1=CC(C)=CN=C1 M13906 [0,1,0,0,1,0|1,0,0]=3 76 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [0,1,0,0,1,0|0,0,0]=2 78 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [0,1,0,0,1,0|0,0,0]=2 79 B11R1.222 COC(=O)c1nccnc1N M27561 [0,1,0,0,1,0|2,0,0]=4 80 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 M18184 [0,1,0,0,0,1|0,0,1]=3 81 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 M18519 [0,1,0,0,0,1|0,0,1]=3 82 B13R1.42 CCOC(=O)\C=C\c1ccccc1 M29141 [0,1,0,0,0,1|0,0,1]=3 83 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 M14688 [0,1,0,0,0,1|1,0,0]=3 84 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 M23773 [0,2,0,0,0,0|0,0,0]=2 85 B13R1.47 CCOC(=O)C(=O)c1ccccc1 M27256 [0,2,0,0,0,0|0,0,1]=3 86 B13R1.47 CCOC(=O)C(O)c1ccccc1 M27247 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 M19693 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.2679 COC(=O)Cc1ccc(O)cc1O M28968 [0,2,0,0,0,0|0,0,0]=2 89 B11R2.10 O=C1Cc2ccccc2N1 M22658 [1,0,0,1,0,0|1,0,0]=3 90 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [1,0,0,1,0,0|2,0,0]=4 91 B13R2.57 COC1=CC2=CC=CC=C2C=C1 M16659 [0,0,0,1,0,1|1,0,1]=4 92 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 M15232 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.64 c1ccc(CC2=NCCN2)cc1 M27407 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.369 CN1Cc2ccccc2NC1=O M28377 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.155 O=C1CCc2ccc(O)cc2N1 M20560 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.6 CC(=O)c1ccccc1 M20888 [1,0,0,0,1,0|0,0,0]=2 97 B9R1.6 CC(=O)c1cnccn1 M20258 [1,0,0,0,1,0|2,0,0]=4 98 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,0,0,0,1,0|0,0,2]=4 99 B9R1.6 N=C(N)c1ccccc1 M21570 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,0,0,0,1,0|1,0,0]=3 101 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [1,0,0,0,1,0|2,0,0]=4 103 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,0,0,0,1,0|0,0,0]=2 105 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [1,0,0,0,1,0|1,0,0]=3 106 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [1,0,0,0,1,0|2,0,0]=4 107 B9R1.6 O=C(O)c1ccccn1 M19678 [1,0,0,0,1,0|1,0,0]=3 108 B9R1.6 O=C(O)c1ccncc1 M22651 [1,0,0,0,1,0|1,0,0]=3 109 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,0,0,0,1,0|0,0,1]=3 110 B9R1.6 O=C([O-])c1ccccn1 M18036 [1,0,0,0,1,0|1,0,1]=4 111 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,0,0,0,1,0|1,0,0]=3 112 B9R1.6 OB(O)c1ccccc1 M27962 [1,0,0,0,1,0|1,0,1]=4 113 B9R1.11 COC(=O)c1ccco1 M21355 [0,0,0,0,2,0|1,0,0]=3