0 B8R1.2 C=CC1=CC=CC=N1 M19493 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 COc1ccccc1 M20226 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.2 COc1cnccn1 M24247 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 N#Cc1ncccn1 M20858 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 NCC1=CC=CN=C1 M14288 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.2 NCc1ccccc1 M19712 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.2 O=CC1=CC=CC=C1 M17745 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.2 OCC1=CC=CC=C1 M10041 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.2 OCC1=CC=CC=N1 M15162 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 OCC1=CN=CC=C1 M10048 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.3 Cc1cnccn1 M28185 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.3 ClC1=NC=CN=C1 M11940 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.3 NC1=CC=NC=C1 M14717 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 Nc1ccccc1 M19715 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.3 OC1=CC=CC=C1 M19463 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 C=Cc1ccc(O)cc1 M26541 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.1 CCc1ccc(O)cc1 M20523 [0,1,0,0,0,0|0,0,2]=3 17 B9R1.1 COC1=CC=C(F)C=C1 M14546 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.1 COC1=CC=C(O)C=C1 M12104 [0,1,0,0,0,0|1,0,1]=3 19 B9R1.1 NCc1ccc(O)cc1 M27368 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.1 NNc1ccc(Cl)cc1 M17796 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.1 OCc1ccc(O)cn1 M28306 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [0,1,0,0,0,0|1,0,1]=3 25 B9R1.2 NCc1ccnc(Cl)c1 M20701 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.2 O=Cc1cccc(O)c1 M19537 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.2 OCc1cccc(O)c1 M19645 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.2 [O-][N+]1=CC=CC(CO)=C1 M15672 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.6 CC(=O)c1ccccc1 M20888 [0,1,0,0,0,0|0,0,1]=2 30 B9R1.6 CC(=O)c1cnccn1 M20258 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.6 C[C@H](O)c1ccccc1 M19564 [0,1,0,0,0,0|0,0,2]=3 32 B9R1.6 N=C(N)c1ccccc1 M21570 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.6 NC(=O)C1=NC=CN=C1 M16904 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.6 O=C(O)c1ccccn1 M19678 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.6 O=C(O)c1ccncc1 M22651 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C([O-])c1ccccc1 M21192 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.6 O=C([O-])c1ccccn1 M18036 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.6 O=[PH](O)c1ccccc1 M27267 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.6 OB(O)c1ccccc1 M27962 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.8 CCOC1=CC=CC=C1 M23245 [0,1,0,0,0,0|0,0,2]=3 49 B9R1.8 CNCc1ccccc1 M21326 [0,1,0,0,0,0|0,0,2]=3 50 B9R1.8 NCCc1ccccc1 M18943 [0,1,0,0,0,0|0,0,2]=3 51 B9R1.8 NCCc1ccccc1 M20880 [0,1,0,0,0,0|0,0,2]=3 52 B9R1.8 NCCc1ccccn1 M24275 [0,1,0,0,0,0|1,0,2]=4 53 B9R1.8 O=CCC1=CC=CC=C1 M17893 [0,1,0,0,0,0|0,0,1]=2 54 B9R1.8 OCCC1=CC=CC=C1 M15237 [0,1,0,0,0,0|0,0,2]=3 55 B9R1.8 OCCC1=CC=CC=N1 M10186 [0,1,0,0,0,0|1,0,2]=4 56 B9R1.8 O\N=C\c1ccccc1 M27255 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.15 COC1=CC=CC=C1O M16473 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.15 NCc1ccccc1O M28366 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.15 OCc1ccccc1O M16468 [0,1,0,0,0,0|1,0,1]=3 60 B7R1.1 O=Cc1ccco1 M20306 [0,0,0,0,1,0|2,0,0]=3 61 B6R1.1 c1cncnc1 M19588 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.3 Cc1ccc(O)cc1 M19480 [1,1,0,0,0,0|0,0,1]=3 63 B8R1.3 Cc1ccc(O)cc1 M20004 [1,1,0,0,0,0|0,0,1]=3 64 B8R1.3 Clc1ccc(Cl)cc1 M20886 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.3 NC1=CC=C(F)C=C1 M19500 [1,1,0,0,0,0|1,0,0]=3 66 B8R1.3 NC1=CC=C(O)C=C1 M19498 [1,1,0,0,0,0|1,0,0]=3 67 B8R1.3 Nc1ccc(Cl)nc1 M20685 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.3 OC1=CC=C(O)C=C1 M19502 [1,1,0,0,0,0|1,0,0]=3 71 B8R1.4 OC1=CC=CC(O)=C1 M19514 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.4 Oc1cccc(O)n1 M19540 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.5 CC1=C(O)C=CC=N1 M23315 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.5 NC1=CC=CC=C1I M24615 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.5 Nc1ccccc1O M19714 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.5 Nc1ccncc1N M18788 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.5 Nc1ncccc1O M21226 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.5 O=c1ccocc1O M21209 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.5 Oc1ccccc1O M19683 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.5 On1ccccc1=S M26402 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 CC1=CC=C(C=O)O1 M18910 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.7 O=C(O)c1ccco1 M20299 [0,1,0,0,1,0|2,0,0]=4 83 B8R1.7 O=C(O)c1ccoc1 M20037 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [0,2,0,0,0,0|0,0,2]=4 85 B10R1.1 N#CCc1ccc(O)cc1 M22659 [0,2,0,0,0,0|0,0,2]=4 86 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [0,2,0,0,0,0|0,0,2]=4 87 B10R1.1 NCCc1ccc(O)cc1 M18703 [0,2,0,0,0,0|0,0,2]=4 88 B10R1.1 NCCc1ccc(O)cc1 M21102 [0,2,0,0,0,0|0,0,2]=4 89 B10R1.1 OCCc1ccc(O)cc1 M18667 [0,2,0,0,0,0|0,0,2]=4 90 B10R1.3 COc1ccc(C=O)cc1 M21217 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [0,2,0,0,0,0|0,0,1]=3 92 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [0,2,0,0,0,0|0,0,1]=3 93 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [0,2,0,0,0,0|0,0,2]=4 94 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [0,2,0,0,0,0|0,0,2]=4 97 B10R1.13 NC(=O)c1ccc(N)nc1 M20842 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.25 CCc1ccc(C)cc1O M27942 [0,2,0,0,0,0|0,0,2]=4 105 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.25 O=Cc1ccc(F)cc1F M28626 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.25 O=Cc1ccc(O)cc1O M29441 [0,2,0,0,0,0|1,0,0]=3 108 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [0,2,0,0,0,0|1,0,1]=4 109 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [0,2,0,0,0,0|1,0,0]=3 110 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 M13096 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.8 COc1cc(O)cc(O)c1 M28969 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.30 COC1=CC(C)=CC=C1O M24986 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.30 O=Cc1cc(O)ccc1O M29262 [0,2,0,0,0,0|1,0,0]=3 114 B10R1.113 C[n+]1cccc(C(=O)O)c1 M18902 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 M18756 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.113 C[n+]1cccc(C(N)=O)c1 M19773 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.113 Cc1cccc(C(=O)Cl)c1 M21101 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 M13105 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 M13693 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.15 C=CC(O)c1ccccc1 M28378 [0,2,0,0,0,0|0,0,0]=2 124 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,2,0,0,0,0|0,0,1]=3 125 B10R1.15 CNC(=O)c1cccnc1 M20018 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.15 COC(=O)c1ccccn1 M27521 [0,2,0,0,0,0|1,0,1]=4 127 B10R1.15 COC(=O)c1cccnc1 M20301 [0,2,0,0,0,0|1,0,1]=4 128 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [0,2,0,0,0,0|0,0,2]=4 129 B10R1.15 NCC(O)c1ccccc1 M19713 [0,2,0,0,0,0|0,0,2]=4 130 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,2,0,0,0,0|0,0,0]=2 134 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [0,2,0,0,0,0|0,0,2]=4 135 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 M17719 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [0,2,0,0,0,0|0,0,1]=3 137 B10R1.61 CC(=O)c1ccccc1C M28091 [0,2,0,0,0,0|0,0,1]=3 138 B10R1.61 CC(C)C1=CC=CC=C1O M19501 [0,2,0,0,0,0|0,0,2]=4 139 B10R1.61 Cc1ccccc1C(=O)O M21382 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.61 Nc1ccccc1C(=O)O M19857 [0,2,0,0,0,0|1,0,0]=3 142 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [0,2,0,0,0,0|1,0,0]=3 143 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.61 O=C(O)C1=NC=CC=C1S M24253 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.61 O=C(O)c1ncccc1O M20615 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [0,2,0,0,0,0|1,0,0]=3 147 B10R1.4 C=CCc1ccccc1O M27275 [0,2,0,0,0,0|0,0,0]=2 148 B10R1.4 CN1C=CC=C\C1=C/[NH+]=O M14766 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [0,2,0,0,0,0|1,0,0]=3 150 B10R1.17 CCOCc1ccccc1 M28093 [0,2,0,0,0,0|0,0,2]=4 151 B10R1.17 NNCCC1=CC=CC=C1 M28748 [0,2,0,0,0,0|0,0,2]=4 152 B10R1.17 NNCCc1ccccc1 M22671 [0,2,0,0,0,0|0,0,2]=4 153 B10R1.17 NNCCc1ccccc1 M28381 [0,2,0,0,0,0|0,0,2]=4 154 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [0,2,0,0,0,0|0,0,0]=2 155 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [0,2,0,0,0,0|0,0,0]=2 156 B10R1.17 OCCCC1=CC=CC=C1 M19330 [0,2,0,0,0,0|0,0,2]=4 157 B10R1.17 OCCOC1=CC=CC=C1 M23407 [0,2,0,0,0,0|0,0,2]=4 158 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [0,2,0,0,0,0|0,0,0]=2 159 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [0,2,0,0,0,0|0,0,2]=4 160 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [0,2,0,0,0,0|0,0,1]=3 161 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [0,2,0,0,0,0|0,0,1]=3 162 B10R1.18 CC(=S)Nc1ccccc1 M27241 [0,2,0,0,0,0|0,0,1]=3 163 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [0,2,0,0,0,0|1,0,1]=4 164 B10R1.18 O=C(O)Cc1ccccc1 M19689 [0,2,0,0,0,0|0,0,1]=3 165 B10R1.20 COC1=CC=CC=C1CN M15618 [0,2,0,0,0,0|1,0,1]=4 166 B10R1.20 COc1ccccc1C=O M28053 [0,2,0,0,0,0|1,0,0]=3 167 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [0,1,0,1,0,0|0,0,2]=4 168 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [0,1,0,1,0,0|1,0,0]=3 169 B10R2.7 c1ccc2c(c1)CCO2 M22654 [0,1,0,1,0,0|0,0,2]=4