0 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 NC(=O)c1ccc(N)nc1 M20842 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,0,0,0,0,0|0,0,0]=1 23 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.15 CNC(=O)c1ccccc1 M26316 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.15 CNC(=O)c1cccnc1 M20018 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 COC(=O)c1ccccn1 M27521 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.15 COC(=O)c1cccnc1 M20301 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 O=CC(=O)c1ccccc1 M28183 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [0,1,0,0,0,0|0,0,0]=1 35 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,1,0,0,0,0|0,0,0]=1 39 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 M16729 [0,1,0,0,0,0|1,0,2]=4 41 B12R1.16 CNCC(O)c1ccc(O)cc1 M18871 [0,1,0,0,0,0|1,0,2]=4 42 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M13431 [0,1,0,0,0,0|0,0,0]=1 44 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 M15680 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M23976 [0,1,0,0,0,0|0,0,0]=1 46 B12R2.612 O=c1nsc2cc(F)ccc12 M20252 [0,0,0,1,0,0|3,0,0]=4 47 B12R2.612 OB1OCC2=CC(F)=CC=C12 M12647 [0,0,0,1,0,0|2,0,1]=4 48 B12R2.612 OB1OCc2cc(Cl)ccc21 M17372 [0,0,0,1,0,0|2,0,1]=4 49 B10R1.14 COC(=O)C1=CC(Br)=CN1 M29527 [0,0,0,0,1,0|2,0,0]=3 50 B10R1.14 COC(=O)C1=CC=C(Br)N1 M29538 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,0,0,0,0,1|1,0,0]=2 52 B9R1.1 C=Cc1ccc(O)cc1 M26541 [2,0,0,0,0,0|0,0,1]=3 53 B9R1.1 CCc1ccc(O)cc1 M20523 [2,0,0,0,0,0|0,0,1]=3 54 B9R1.1 COC1=CC=C(F)C=C1 M14546 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.1 COC1=CC=C(O)C=C1 M12104 [2,0,0,0,0,0|0,0,0]=2 56 B9R1.1 NCc1ccc(O)cc1 M27368 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [2,0,0,0,0,0|0,0,0]=2 58 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [2,0,0,0,0,0|0,0,1]=3 59 B9R1.1 OCc1ccc(O)cn1 M28306 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.8 CCOC1=CC=CC=C1 M23245 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CNCc1ccccc1 M21326 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.8 O\N=C\c1ccccc1 M27255 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 CC(=O)c1ccccc1 M20888 [2,0,0,0,0,0|0,0,0]=2 64 B9R1.6 CC(=O)c1cnccn1 M20258 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 C[C@H](O)c1ccccc1 M19564 [2,0,0,0,0,0|0,0,2]=4 66 B9R1.6 N=C(N)c1ccccc1 M21570 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [2,0,0,0,0,0|0,0,0]=2 72 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(O)c1ccccn1 M19678 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 O=C(O)c1ccncc1 M22651 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 O=C([O-])c1ccccc1 M21192 [2,0,0,0,0,0|0,0,1]=3 77 B9R1.6 O=C([O-])c1ccccn1 M18036 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.6 O=[PH](O)c1ccccc1 M27267 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.6 OB(O)c1ccccc1 M27962 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [1,1,0,0,0,0|0,0,1]=3 81 B11R1.1 OCCCc1ccc(O)cc1 M17756 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M10221 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M14428 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.3 CC(C)c1ccc(CO)cc1 M20877 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M17742 [1,1,0,0,0,0|0,0,0]=2 89 B11R1.3 COC1=NC=C(C(N)=O)C=C1 M24726 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 M15072 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 M15344 [1,1,0,0,0,0|0,0,1]=3 92 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 M19528 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.21 CC(=O)c1ccc(O)c(O)c1 M17870 [1,1,0,0,0,0|0,0,0]=2 94 B11R1.21 CC(C)C1=CC(O)=C(O)C=C1 M23971 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.21 Cc1cc(C(=O)O)ccc1O M20003 [1,1,0,0,0,0|0,0,0]=2 96 B11R1.21 Cc1ccc(C(=O)O)cc1C M27053 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.21 Cn1cc(C(=O)O)ccc1=O M20579 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.21 Nc1cc(C(=O)O)ccc1O M19570 [1,1,0,0,0,0|0,0,0]=2 99 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 M16912 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 M20822 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.21 O=[N+]([O-])c1ccc(O)c(Cl)c1 M28691 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 M19368 [1,1,0,0,0,0|0,0,0]=2 103 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 M13213 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 M15241 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 M15490 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 M14758 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.166 O=C(O)c1ccc(O)cc1O M20617 [1,1,0,0,0,0|0,0,0]=2 110 B11R1.166 O=C(O)c1cnc(O)nc1O M19579 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.16 O=C(NCO)c1cccnc1 M21146 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.23 COC(=O)C1=CC(C)=CN=C1 M13906 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [1,1,0,0,0,0|0,0,0]=2 119 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [1,1,0,0,0,0|0,0,0]=2 120 B11R1.222 COC(=O)c1nccnc1N M27561 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.5 C=CC(=O)Nc1ccc(OC)cc1 M28407 [0,1,0,0,0,1|1,0,1]=4 122 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 M23773 [0,1,0,0,0,1|0,0,0]=2 123 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 M19693 [0,1,0,0,0,1|2,0,0]=4 124 B13R1.2679 COC(=O)Cc1ccc(O)cc1O M28968 [0,1,0,0,0,1|0,0,0]=2 125 B13R1.139 CCOC1=CC=C(C(=O)OC)C=C1 M24080 [0,2,0,0,0,0|0,0,0]=2 126 B13R1.17 CCCCC(=O)c1ccc(O)cc1 M27261 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.17 CCCOC(=O)c1ccc(O)cc1 M20302 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.132 CC(C)OC(=O)c1ccc(O)cc1 M20342 [0,2,0,0,0,0|0,0,0]=2 129 B13R1.466 CCOC(=O)c1ccc(O)c(O)c1 M20341 [0,2,0,0,0,0|0,0,0]=2 130 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 M15351 [0,2,0,0,0,0|1,0,0]=3 131 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 M14356 [0,2,0,0,0,0|0,0,0]=2 132 B13R1.2678 COC(=O)c1cc(O)c(O)c(O)c1 M19302 [0,2,0,0,0,0|0,0,0]=2 133 B13R1.4656 CCC(=O)C1=C(O)C=C(O)C=C1O M13637 [0,2,0,0,0,0|1,0,0]=3 134 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,1,0,0|1,0,0]=3 135 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 M18887 [0,0,0,1,0,1|1,0,1]=4 136 B13R2.5179 O=C1CCCc2cc(Cl)ccc21 M27393 [0,1,0,1,0,0|2,0,0]=4 137 B13R2.5179 O=c1ccoc2cc(O)ccc12 M20749 [0,1,0,1,0,0|1,0,1]=4 138 B13R2.5190 O=C1Nc2cc(O)ccc2C1=O M29518 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.35 O=C(O)C1=CC=C(Br)N1 M29567 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.11 COC(=O)c1ccco1 M21355 [1,0,0,0,1,0|1,0,0]=3 141 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [1,0,0,0,0,1|1,0,1]=4 142 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 M18184 [0,0,0,0,0,2|0,0,0]=2 143 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 M18519 [0,0,0,0,0,2|0,0,0]=2