0 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 NC(=O)c1ccc(N)nc1 M20842 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.1 C=Cc1ccc(O)cc1 M26541 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 CCc1ccc(O)cc1 M20523 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.1 COC1=CC=C(F)C=C1 M14546 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 COC1=CC=C(O)C=C1 M12104 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 NCc1ccc(O)cc1 M27368 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.1 NNc1ccc(Cl)cc1 M17796 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [1,0,0,0,0,0|0,0,1]=2 21 B9R1.1 OCc1ccc(O)cn1 M28306 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.6 CC(=O)c1ccccc1 M20888 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 CC(=O)c1cnccn1 M20258 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.6 N=C(N)c1ccccc1 M21570 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 NC(=O)C1=NC=CN=C1 M16904 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 O=C(O)c1ccccn1 M19678 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 O=C(O)c1ccncc1 M22651 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,0,0,0,0,0|0,0,1]=2 38 B9R1.6 O=C([O-])c1ccccn1 M18036 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 OB(O)c1ccccc1 M27962 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.3 CC(C)c1ccc(CO)cc1 M20877 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M17742 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.3 COC1=NC=C(C(N)=O)C=C1 M24726 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 M15072 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 M15344 [0,1,0,0,0,0|0,0,1]=2 46 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 M15418 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 M19528 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.21 CC(=O)c1ccc(O)c(O)c1 M17870 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.21 CC(C)C1=CC(O)=C(O)C=C1 M23971 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 M14755 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.21 CN1C=C(C(N)=O)C=CC1=O M21413 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.21 Cc1cc(C(=O)O)ccc1O M20003 [0,1,0,0,0,0|0,0,0]=1 53 B11R1.21 Cc1ccc(C(=O)O)cc1C M27053 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.21 Cn1cc(C(=O)O)ccc1=O M20579 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.21 Nc1cc(C(=O)O)ccc1O M19570 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 M16912 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 M20822 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.21 O=[N+]([O-])c1ccc(O)c(Cl)c1 M28691 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 M19368 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 M13213 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 M15241 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 M15490 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 M14758 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.166 O=C(O)c1ccc(O)cc1O M20617 [0,1,0,0,0,0|0,0,0]=1 74 B11R1.166 O=C(O)c1cnc(O)nc1O M19579 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.35 O=C(O)C1=CC=C(Br)N1 M29567 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.20 N=C(N)Nc1ccc(Cl)cc1 M27453 [0,0,0,0,0,1|3,0,0]=4 79 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [0,0,0,0,0,1|0,0,0]=1 81 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [0,0,0,0,0,1|2,0,1]=4 82 B8R1.2 C=CC1=CC=CC=N1 M19493 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|0,0,0]=2 86 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|0,0,1]=3 87 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|1,0,1]=4 88 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.3 Cc1ccc(O)cc1 M19480 [2,0,0,0,0,0|0,0,1]=3 90 B8R1.3 Cc1ccc(O)cc1 M20004 [2,0,0,0,0,0|0,0,1]=3 91 B8R1.3 Clc1ccc(Cl)cc1 M20886 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.3 NC1=CC=C(F)C=C1 M19500 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.3 NC1=CC=C(O)C=C1 M19498 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [2,0,0,0,0,0|0,0,1]=3 95 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.3 OC1=CC=C(O)C=C1 M19502 [2,0,0,0,0,0|0,0,0]=2 97 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|0,0,1]=3 102 B10R1.3 COc1ccc(C=O)cc1 M21217 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.25 O=Cc1ccc(F)cc1F M28626 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.25 O=Cc1ccc(O)cc1O M29441 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.176 O=c1cc(CO)occ1O M20588 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.15 CNC(=O)c1ccccc1 M26316 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.15 CNC(=O)c1cccnc1 M20018 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.15 COC(=O)c1ccccn1 M27521 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.15 COC(=O)c1cccnc1 M20301 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.15 NCC(O)c1ccccc1 M19713 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.15 O=CC(=O)c1ccccc1 M28183 [1,1,0,0,0,0|0,0,1]=3 120 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 M17719 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.61 CC(=O)c1ccccc1C M28091 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.61 Cc1ccccc1C(=O)O M21382 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.61 Nc1ccccc1C(=O)O M19857 [1,1,0,0,0,0|0,0,0]=2 127 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [1,1,0,0,0,0|0,0,0]=2 128 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.61 O=C(O)C1=NC=CC=C1S M24253 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.61 O=C(O)c1ncccc1O M20615 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [1,1,0,0,0,0|0,0,1]=3 132 B10R1.113 C[n+]1cccc(C(=O)O)c1 M18902 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 M18756 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.113 C[n+]1cccc(C(N)=O)c1 M19773 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.113 Cc1cccc(C(=O)Cl)c1 M21101 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 M13105 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 M13693 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.14 COC(=O)C1=CC(Br)=CN1 M29527 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.14 COC(=O)C1=CC=C(Br)N1 M29538 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.31 O=C(O)c1ccc(CO)o1 M20048 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 M29536 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.4 COc1ccc(CC(=O)O)cc1 M20229 [0,1,0,0,0,1|0,0,0]=2 146 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 M19538 [0,1,0,0,0,1|0,0,0]=2 147 B12R1.20 N[C@H](C(=O)O)c1ccc(F)cc1 M27369 [0,1,0,0,0,1|1,0,0]=3 148 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 M19593 [0,1,0,0,0,1|0,0,0]=2 149 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [0,1,0,0,0,1|0,0,0]=2 150 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,1,0,0,0,1|1,0,0]=3 151 B12R1.106 CC1=CC=C(OS(=O)(=O)O)C=C1 M24256 [0,1,0,0,0,1|2,0,0]=4 152 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [0,2,0,0,0,0|0,0,0]=2 153 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 M24608 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.48 COc1ccc(C(=O)O)cc1O M20478 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.256 CC(=O)C1=CC=C(S(C)=O)C=C1 M24257 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.256 O=C(O)c1ccc(C(=O)O)cc1 M21387 [0,2,0,0,0,0|0,0,0]=2 158 B12R1.256 O=C(O)c1ccc(C(=O)O)nc1 M20106 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 M18258 [0,2,0,0,0,0|0,0,0]=2 160 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M15001 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.56 COc1cc(C(=O)O)ccc1O M19373 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.56 COc1cc(C(C)=O)ccc1O M18655 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M13431 [0,2,0,0,0,0|0,0,0]=2 164 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 M15678 [0,2,0,0,0,0|1,0,1]=4 165 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 M24540 [0,2,0,0,0,0|1,0,1]=4 166 B12R1.367 NCC(O)c1ccc(O)c(O)c1 M22527 [0,2,0,0,0,0|1,0,1]=4 167 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 M10329 [0,2,0,0,0,0|1,0,1]=4 168 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 M18698 [0,2,0,0,0,0|1,0,1]=4 169 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 M15680 [0,2,0,0,0,0|0,0,0]=2 170 B12R1.893 O=C(O)c1ccc(O)c(O)c1O M21361 [0,2,0,0,0,0|0,0,0]=2 171 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 M12085 [0,2,0,0,0,0|0,0,0]=2 172 B12R1.1005 O=C(O)c1cc(I)c(I)c(I)c1 M22258 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,2,0,0,0,0|0,0,0]=2 176 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 M16729 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.16 CNCC(O)c1ccc(O)cc1 M18871 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M23976 [0,2,0,0,0,0|0,0,0]=2 181 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O M18613 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.1000 CC1=CC(O)=CC(O)=C1C(=O)O M14607 [0,2,0,0,0,0|0,0,0]=2 183 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|1,0,1]=4 184 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [0,0,0,1,0,1|1,0,0]=3 185 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 M16810 [0,0,0,1,0,1|2,0,0]=4 186 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 M13202 [0,0,0,1,0,1|2,0,0]=4 187 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 M14670 [0,0,0,1,0,1|0,0,0]=2 188 B12R2.612 O=c1nsc2cc(F)ccc12 M20252 [0,1,0,1,0,0|1,1,0]=4 189 B8R0.23 C=C(CC(=O)O)C(=O)O M19675 [0,0,1,0,1,0|1,0,1]=4 190 B8R0.23 C\C(=C/C(=O)O)C(=O)O M22873 [0,0,1,0,1,0|1,0,1]=4 191 B8R0.23 C\C(=C\C(=O)O)C(=O)O M18656 [0,0,1,0,1,0|1,0,1]=4 192 B8R1.1 CC1=CC=C(C=O)O1 M18910 [1,0,0,0,1,0|2,0,0]=4 193 B8R1.7 O=C(O)c1ccco1 M20299 [1,0,0,0,1,0|1,0,0]=3 194 B8R1.7 O=C(O)c1ccoc1 M20037 [1,0,0,0,1,0|1,0,0]=3 195 B8R1.7 O=C(O)c1cnsc1 M20297 [1,0,0,0,1,0|2,0,0]=4 196 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [1,0,0,0,0,1|1,0,0]=3 197 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [1,0,0,0,0,1|1,0,0]=3 198 B10R1.18 CC(=S)Nc1ccccc1 M27241 [1,0,0,0,0,1|1,1,0]=4 199 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [1,0,0,0,0,1|1,0,0]=3 200 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,0,0,0,0,1|0,0,0]=2 201 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 M18780 [0,0,0,0,0,2|1,0,0]=3 202 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M23850 [0,0,0,0,0,2|1,0,0]=3 203 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 M27193 [0,0,0,0,0,2|1,0,1]=4 204 B12R1.21 O=C(O)CCc1ccc(O)cc1 M18668 [0,0,0,0,0,2|0,0,0]=2 205 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 M14694 [0,0,0,0,0,2|0,0,0]=2 206 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 M19059 [0,0,0,0,0,2|0,0,0]=2