0 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,0,0|1,0,3]=4 10 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,0,0|1,0,1]=2 36 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,0,0|1,0,1]=2 37 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,0,0|1,1,1]=3 38 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,0,0|1,1,1]=3 39 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [0,0,0,0,0,0|2,1,1]=4 50 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [0,0,0,0,0,0|2,1,1]=4 51 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,0,0,0,0,0|2,0,1]=3 56 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,0,0,0,0,0|2,0,1]=3 57 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [0,0,0,0,0,0|2,1,1]=4 58 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [0,0,0,0,0,0|2,1,1]=4 59 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,0,0,0,0,0|1,0,3]=4 60 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,0,0,0,0,0|1,0,3]=4 61 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,0,0|2,0,2]=4 62 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,0,0|2,0,2]=4 63 B8R1.8 C=C=Cc1c[nH]cn1 271570a_100015277604_100000756875 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.8 C=C=Cc1cc[nH]n1 271570a_100015277604_100000062575 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|0,0,1]=2 66 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,0,0,0,0,0|0,1,1]=3 67 B8R1.8 C=C=Cc1ccoc1 271570a_100015277604_100011215275 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.8 C=C=Cc1ccsc1 271570a_100015277604_100000738268 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.8 C=C=Cc1ccsn1 271570a_100015277604_100009818082 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [1,0,0,0,0,0|1,1,1]=4 72 B8R1.8 C=C=Cc1cscn1 271570a_100015277604_100000751502 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [1,0,0,0,0,0|1,0,1]=3 75 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [1,0,0,0,0,0|1,1,1]=4 76 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|0,0,1]=2 79 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|0,1,1]=3 80 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,0,0|1,1,1]=4 85 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|1,1,1]=4 89 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|1,0,2]=4 90 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|1,0,2]=4 91 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|1,0,2]=4 92 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|1,0,2]=4 93 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|1,0,2]=4 94 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|1,0,2]=4 95 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|1,0,2]=4 96 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|1,0,2]=4 101 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,1,0,0,0,0|1,1,1]=4 107 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,1,0,0,0,0|1,1,1]=4 108 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [0,1,0,0,0,0|1,1,1]=4 109 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [0,1,0,0,0,0|1,1,1]=4 110 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [0,1,0,0,0,0|1,1,1]=4 111 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [0,1,0,0,0,0|1,1,1]=4 112 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,1,0,0,0,0|1,0,1]=3 114 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,0,0,0|1,1,1]=4 115 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,0,0,0|1,1,1]=4 116 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,1,0,0,0,0|1,0,2]=4 126 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,0,0,0|1,1,1]=4 129 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,0,0,0|1,1,1]=4 130 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,1,0,0,0,0|1,1,1]=4 136 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [0,1,0,0,0,0|1,1,1]=4 141 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [0,1,0,0,0,0|0,0,2]=3 145 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,1,0,0,0,0|0,1,2]=4 146 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [0,1,0,0,0,0|1,0,2]=4 148 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,1,0,0,0,0|0,0,2]=3 149 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,1,0,0,0,0|0,0,2]=3 150 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,1,0,0,0,0|0,1,2]=4 151 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,1,0,0,0,0|1,0,2]=4 152 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,0,0|0,0,2]=3 153 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,0,0|0,1,2]=4 154 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [0,1,0,0,0,0|1,0,2]=4 157 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,0|1,0,2]=4 164 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [0,1,0,0,0,0|1,1,1]=4 165 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [0,1,0,0,0,0|1,1,1]=4 166 B10R1.29 O=CCSc1sccc1Br 62a_100012361411_200015260668 [0,1,0,0,0,0|1,1,1]=4 167 B10R1.29 O=CCSc1sccc1Br 62a_200015260668_100012361411 [0,1,0,0,0,0|1,1,1]=4 168 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,1,0,0,0,0|1,0,2]=4 173 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,1,0,0,0,0|0,1,0]=2 175 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,1,0,0,0,0|1,1,0]=3 179 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,0,0,0|0,0,2]=3 181 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,1,0,0,0,0|0,1,2]=4 182 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,1,0,0,0,0|0,1,2]=4 183 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 191 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 192 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 193 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,1,0,0,0,0|1,1,1]=4 194 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,1,0,0,0,0|1,1,1]=4 203 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,1,0,0,0,0|0,0,2]=3 206 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,1,0,0,0,0|0,1,2]=4 207 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,1,0,0,0,0|1,1,1]=4 212 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,1,0,0,0,0|1,1,1]=4 213 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,1,0,0,0,0|1,1,1]=4 220 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,1,0,0,0,0|1,1,1]=4 221 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,1,0,0,0,0|1,0,2]=4 227 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,1,0,0,0,0|0,1,0]=2 229 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,1,0,0,0,0|1,1,0]=3 233 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,0,0,0|1,0,2]=4 234 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,0,0,0|0,0,2]=3 235 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,1,0,0,0,0|0,1,2]=4 236 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [0,0,1,0,0,0|1,0,2]=4 237 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,1|2,0,1]=4 238 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,1|2,0,1]=4 239 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,1|2,0,1]=4 240 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,1|2,0,1]=4 241 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,1|2,0,1]=4 242 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,1|2,0,1]=4 243 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,1|2,0,1]=4 244 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,1|2,0,1]=4 245 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,1|2,0,1]=4 246 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,1|2,0,1]=4 247 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,1|2,0,1]=4 248 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,1|2,0,1]=4 249 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,1|2,0,1]=4 252 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,1|2,0,1]=4 253 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [0,0,0,0,0,1|2,0,1]=4 254 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [0,0,0,0,0,1|2,0,1]=4 255 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [0,0,0,0,0,1|2,0,1]=4 256 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [0,0,0,0,0,1|2,0,1]=4 257 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [0,0,0,0,0,1|2,0,1]=4 258 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [0,0,0,0,0,1|2,0,1]=4 259 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|0,0,0]=2 262 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|0,1,0]=3 263 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [2,0,0,0,0,0|1,0,0]=3 267 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [2,0,0,0,0,0|1,1,0]=4 268 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [2,0,0,0,0,0|1,0,0]=3 271 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [2,0,0,0,0,0|1,1,0]=4 272 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|1,0,1]=4 274 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [0,1,1,0,0,0|1,0,1]=4 277 B9R1.7 C=C=Cc1cc(cs1)C 271570a_100015277604_100009876951 [1,1,0,0,0,0|0,1,1]=4 278 B9R1.7 C=C=Cc1ccc(s1)Br 271570a_100015277604_100010197418 [1,1,0,0,0,0|0,1,1]=4 279 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [1,1,0,0,0,0|0,1,1]=4 280 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,0,0|0,1,1]=4 281 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,1,0,0,0,0|0,1,1]=4 282 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,0,0|0,1,1]=4 283 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,1,0,0,0,0|0,0,1]=3 284 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,1,0,0,0,0|0,1,1]=4 285 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,1,0,0,0,0|0,0,1]=3 289 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,1,0,0,0,0|0,1,1]=4 290 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,1,0,0,0,0|1,0,1]=4 292 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,1,0,0,0,0|0,0,1]=3 293 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,1,0,0,0,0|0,1,1]=4 294 B9R1.33 C=C=Cc1sccc1Br 271570a_100015277604_100012361411 [1,1,0,0,0,0|0,1,1]=4 295 B9R1.33 C=C=Cc1sccc1C 271570a_100015277604_100000742657 [1,1,0,0,0,0|0,1,1]=4 296 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [1,1,0,0,0,0|0,1,1]=4 297 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,0,0|0,1,1]=4 298 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,0,0,1|1,0,1]=4 299 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,0,0,1|1,0,1]=4 300 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [0,1,0,0,0,1|1,0,1]=4 301 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,1,0,0,0,1|1,0,0]=3 302 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,1,0,0,0,1|1,0,0]=3 304 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,1,0,0,0,1|1,0,0]=3 305 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,1,0,0,0,1|1,0,0]=3 306 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.29 CC=NNC(=O)c1ccco1 4a_100000185077_200000210099 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [0,2,0,0,0,0|0,0,2]=4 311 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [0,2,0,0,0,0|0,0,2]=4 312 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [0,2,0,0,0,0|0,0,2]=4 313 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,2,0,0,0,0|1,0,1]=4 314 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,2,0,0,0,0|0,0,1]=3 315 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,2,0,0,0,0|0,1,1]=4 316 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 317 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 318 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 319 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,2,0,0,0,0|1,0,1]=4 320 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [0,2,0,0,0,0|0,0,2]=4 321 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [0,2,0,0,0,0|0,0,2]=4 322 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [0,2,0,0,0,0|0,0,2]=4 323 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [0,2,0,0,0,0|0,0,2]=4 324 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [0,2,0,0,0,0|0,0,2]=4 325 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [0,2,0,0,0,0|0,0,2]=4 326 B11R1.39 CC(=Cc1cc(co1)Br)C#N 6a_100000747035_200000212204 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.39 CC(=Cc1ccc(o1)I)C#N 6a_100000186757_200000212204 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.39 N#CC(=Cc1cc(co1)Br)F 6a_100000747035_200000032654 [0,2,0,0,0,0|1,0,1]=4 329 B11R1.39 N#CC(=Cc1ccc(o1)I)F 6a_100000186757_200000032654 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,2,0,0,0,0|0,1,0]=3 331 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,2,0,0,0,0|0,0,0]=2 332 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,2,0,0,0,0|0,0,0]=2 333 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,2,0,0,0,0|0,0,0]=2 334 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,2,0,0,0,0|0,1,0]=3 335 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,2,0,0,0,0|0,1,0]=3 336 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,2,0,0,0,0|0,1,0]=3 337 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 338 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 339 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,2,0,0,0,0|0,0,0]=2 346 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,2,0,0,0,0|0,1,0]=3 347 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,2,0,0,0,0|0,1,0]=3 348 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,2,0,0,0,0|0,0,0]=2 349 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,2,0,0,0,0|0,0,0]=2 350 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,2,0,0,0,0|0,1,0]=3 351 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,2,0,0,0,0|0,1,0]=3 352 B11R1.214 N#Cc1ccc(o1)SCC=O 62a_200015260668_100000764468 [0,2,0,0,0,0|1,0,1]=4 353 B11R1.214 NCc1ccc(o1)SCC=O 62a_200015260668_100000708654 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.214 O=CCSc1ccc(o1)C=O 62a_200015260668_100000186757 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.214 O=CCSc1ccc(o1)CO 62a_100000246276_200015260668 [0,2,0,0,0,0|1,0,1]=4 356 B11R1.214 O=CCSc1ccc(o1)CO 62a_200015260668_100000246276 [0,2,0,0,0,0|1,0,1]=4 357 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [0,2,0,0,0,0|1,0,1]=4 358 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [0,2,0,0,0,0|1,0,1]=4 361 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [0,2,0,0,0,0|1,0,1]=4 363 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [0,2,0,0,0,0|0,0,2]=4 367 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [0,2,0,0,0,0|0,0,2]=4 368 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [0,2,0,0,0,0|0,0,2]=4 369 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [0,2,0,0,0,0|0,0,2]=4 370 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,2,0,0,0,0|1,0,1]=4 371 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,2,0,0,0,0|1,0,1]=4 372 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,2,0,0,0,0|0,1,0]=3 374 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,2,0,0,0,0|1,1,0]=4 378 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,2,0,0,0,0|1,1,0]=4 379 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,2,0,0,0,0|0,0,2]=4 380 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,2,0,0,0,0|1,0,1]=4 382 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,2,0,0,0,0|1,0,1]=4 383 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,2,0,0,0,0|1,0,1]=4 384 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,2,0,0,0,0|1,0,1]=4 385 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,2,0,0,0,0|1,0,1]=4 386 B11R1.25 CNC(=O)C=Cc1c[nH]cn1 240690a_100102657272_100102678534 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,2,0,0,0,0|0,1,0]=3 388 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,2,0,0,0,0|0,1,0]=3 389 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,2,0,0,0,0|0,1,0]=3 390 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.25 CNC(=O)C=Cc1cscn1 11a_106832991635_200000747928 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.25 CNC(=O)C=Cc1cscn1 1626a_100102657272_200000747928 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.25 CNC(=O)C=Cc1cscn1 240690a_100102657272_200000747928 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.25 CNC(=O)C=Cc1nccs1 11a_106832991635_100102558208 [0,2,0,0,0,0|1,1,0]=4 401 B11R1.25 CNC(=O)C=Cc1nccs1 240690a_100102657272_100102558208 [0,2,0,0,0,0|1,1,0]=4 402 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,2,0,0,0,0|0,0,2]=4 403 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,2,0,0,0,0|0,0,2]=4 404 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,2,0,0,0,0|0,0,2]=4 405 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,2,0,0,0,0|1,0,1]=4 408 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,2,0,0,0,0|1,0,1]=4 412 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.25 O=C(C=Cc1c[nH]cn1)CF 1458a_100102678534_100015361967 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,2,0,0,0,0|0,1,0]=3 416 B11R1.25 O=C(C=Cc1ccoc1)CF 1458a_100000238621_100015361967 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.25 O=C(C=Cc1ccsc1)CF 1458a_100000698588_100015361967 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.25 O=C(C=Cc1cscn1)CF 1458a_200000747928_100015361967 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.25 O=C(C=Cc1nccs1)CBr 6a_100000750902_100009888967 [0,2,0,0,0,0|1,1,0]=4 420 B11R1.25 O=C(C=Cc1nccs1)CCl 6a_100000750902_100000086384 [0,2,0,0,0,0|1,1,0]=4 421 B11R1.25 O=C(C=Cc1nccs1)CF 1458a_100102558208_100015361967 [0,2,0,0,0,0|1,1,0]=4 422 B11R1.25 O=C(C=Cc1nccs1)CF 6a_100000750902_100000764096 [0,2,0,0,0,0|1,1,0]=4 423 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,2,0,0,0,0|0,0,2]=4 424 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,2,0,0,0,0|1,0,1]=4 425 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,2,0,0,0,0|1,0,1]=4 427 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,2,0,0,0,0|0,0,2]=4 429 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,2,0,0,0,0|0,0,2]=4 430 B11R1.30 O=C(C=CBr)Cc1ncco1 1458a_100016273825_103436540062 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.30 O=C(C=CCl)Cc1ncco1 1458a_200016279998_103436540062 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.30 O=C(C=CI)Cc1ncco1 1458a_100016256311_103436540062 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,2,0,0,0,0|0,0,2]=4 436 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,2,0,0,0,0|0,0,2]=4 437 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,2,0,0,0,0|0,0,2]=4 438 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,2,0,0,0,0|0,0,2]=4 439 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,2,0,0,0,0|0,0,2]=4 440 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,2,0,0,0,0|0,0,2]=4 441 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,2,0,0,0,0|1,1,0]=4 444 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,2,0,0,0,0|1,0,1]=4 448 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,2,0,0,0,0|0,0,2]=4 451 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,2,0,0,0,0|0,0,2]=4 452 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,2,0,0,0,0|0,0,2]=4 453 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,2,0,0,0,0|0,0,2]=4 454 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,2,0,0,0,0|0,0,2]=4 455 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,2,0,0,0,0|0,0,2]=4 456 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,2,0,0,0,0|0,0,2]=4 457 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [0,2,0,0,0,0|0,0,2]=4 458 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [0,2,0,0,0,0|0,0,2]=4 459 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,2,0,0,0,0|0,0,0]=2 460 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,2,0,0,0,0|0,0,0]=2 461 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,2,0,0,0,0|1,0,1]=4 462 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,2,0,0,0,0|1,0,1]=4 463 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,2,0,0,0,0|1,0,1]=4 464 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,2,0,0,0,0|1,0,1]=4 465 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,2,0,0,0,0|1,0,1]=4 468 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,2,0,0,0,0|1,0,1]=4 472 B11R1.84 O=CC(C=O)Sc1ccco1 62a_100000736813_100009814098 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.84 O=CC(C=O)Sc1ccco1 62a_100009814098_100000736813 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.90 CC(=O)C=Cc1ccnn1C 1458a_100102528386_200000210301 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,2,0,0,0,0|0,1,0]=3 476 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,2,0,0,0,0|0,1,0]=3 477 B11R1.90 Cn1nccc1C=CC(=O)[13CH3] 1458a_100102528386_200025704644 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.510 CC(C)(C)C=Cc1ccco1 271570a_100102527731_100009814098 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.510 CC(C)(O)C=Cc1ccco1 271570a_200016258132_100009814098 [0,2,0,0,0,0|0,0,2]=4 480 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [0,0,1,1,0,0|2,0,0]=4 481 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [0,0,1,1,0,0|2,0,0]=4 482 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,0,1,1,0,0|2,0,0]=4 483 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [0,0,1,1,0,0|2,0,0]=4 484 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [0,0,1,1,0,0|2,0,0]=4 485 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [0,0,1,1,0,0|2,0,0]=4 486 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [0,0,1,1,0,0|1,0,0]=3 487 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [0,0,1,1,0,0|1,1,0]=4 488 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [0,0,1,1,0,0|2,0,0]=4 489 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,0,1,1,0,0|1,0,1]=4 490 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,0,1,1,0,0|2,0,0]=4 491 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,0,1,1,0,0|2,0,0]=4 492 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,0,1,1,0,0|2,0,0]=4 493 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,0,1,1,0,0|2,0,0]=4 494 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,0,1,1,0,0|2,0,0]=4 495 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [0,0,1,1,0,0|1,0,1]=4 496 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,0,1,1,0,0|1,0,1]=4 497 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [0,0,1,1,0,0|2,0,0]=4 498 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [0,0,1,1,0,0|1,0,0]=3 499 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,0,1,1,0,0|0,0,0]=2 500 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,0,1,1,0,0|1,0,0]=3 501 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [0,0,1,1,0,0|1,0,0]=3 502 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [0,0,1,1,0,0|1,0,0]=3 503 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,0,1,1,0,0|0,0,2]=4 504 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,0,1,1,0,0|1,0,1]=4 505 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,0,1,1,0,0|2,0,0]=4 506 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,0,1,1,0,0|2,0,0]=4 507 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [0,0,1,1,0,0|2,0,0]=4 508 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [0,0,1,1,0,0|2,0,0]=4 509 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [0,0,1,1,0,0|2,0,0]=4 510 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [0,0,1,1,0,0|2,0,0]=4 511 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [0,0,1,1,0,0|2,0,0]=4 512 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [0,0,1,1,0,0|1,0,0]=3 513 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [0,0,1,1,0,0|2,0,0]=4 514 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [0,0,1,1,0,0|2,0,0]=4 515 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [0,0,1,1,0,0|2,0,0]=4 516 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [0,0,1,1,0,0|2,0,0]=4 517 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [0,0,1,1,0,0|2,0,0]=4 518 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [0,0,1,1,0,0|2,0,0]=4 519 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [0,0,1,1,0,0|1,0,0]=3 520 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [0,0,1,1,0,0|2,0,0]=4 521 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [0,0,1,1,0,0|2,0,0]=4 522 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,0,1,1,0,0|1,0,1]=4 523 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [0,0,1,1,0,0|1,0,1]=4 524 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [0,0,1,1,0,0|1,0,1]=4 525 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [0,0,1,1,0,0|1,0,1]=4 526 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [0,0,1,1,0,0|1,0,1]=4 527 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [0,0,1,1,0,0|0,0,2]=4 528 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [0,0,1,1,0,0|0,0,2]=4 529 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [0,0,1,1,0,0|2,0,0]=4 530 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,0,1,1,0,0|1,0,1]=4 531 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [0,0,1,1,0,0|2,0,0]=4 532 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [0,0,1,1,0,0|2,0,0]=4 533 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [0,0,1,1,0,0|2,0,0]=4 534 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [0,0,1,1,0,0|2,0,0]=4 535 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [0,0,1,1,0,0|2,0,0]=4 536 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,0,1,1,0,0|1,0,1]=4 537 B9R1.69 Nc1cc(ccc1Br)O 271570a_203496583355_100000750456 [0,0,1,1,0,0|2,0,0]=4 538 B9R1.69 Nc1cc(ccc1Cl)O 271570a_203496583355_200000761891 [0,0,1,1,0,0|2,0,0]=4 539 B9R1.69 Nc1cc(ccc1F)O 271570a_203496583355_100000740924 [0,0,1,1,0,0|2,0,0]=4 540 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [0,0,1,1,0,0|1,0,1]=4 541 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [0,0,1,1,0,0|1,0,1]=4 542 B9R1.69 Nc1ccc(cc1Br)O 271570a_203496583355_100000750455 [0,0,1,1,0,0|2,0,0]=4 543 B9R1.69 Nc1ccc(cc1Cl)O 271570a_203496583355_100011218065 [0,0,1,1,0,0|2,0,0]=4 544 B9R1.69 Nc1ccc(cc1F)O 271570a_203496583355_100011215594 [0,0,1,1,0,0|2,0,0]=4 545 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [0,0,1,1,0,0|2,0,0]=4 546 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [0,0,1,1,0,0|2,0,0]=4 547 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [0,0,1,1,0,0|2,0,0]=4 548 B9R1.69 O=c1[nH]cc(cc1Br)O 271570a_203496583355_100010125443 [0,0,1,1,0,0|2,0,0]=4 549 B9R1.69 O=c1[nH]cc(cc1F)O 271570a_203496583355_100000723523 [0,0,1,1,0,0|2,0,0]=4 550 B9R1.69 O=c1[nH]cc(cc1O)O 271570a_203496583355_100009814561 [0,0,1,1,0,0|2,0,0]=4 551 B9R1.69 Oc1ccc(c(c1)Br)Br 271570a_203496583355_100012356285 [0,0,1,1,0,0|2,0,0]=4 552 B9R1.69 Oc1ccc(c(c1)Br)Cl 271570a_203496583355_100012353702 [0,0,1,1,0,0|2,0,0]=4 553 B9R1.69 Oc1ccc(c(c1)Br)F 271570a_203496583355_100012047266 [0,0,1,1,0,0|2,0,0]=4 554 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [0,0,1,1,0,0|1,0,1]=4 555 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [0,0,1,1,0,0|1,0,1]=4 556 B9R1.69 Oc1ccc(c(c1)Cl)Br 271570a_203496583355_100012047281 [0,0,1,1,0,0|2,0,0]=4 557 B9R1.69 Oc1ccc(c(c1)Cl)Cl 271570a_203496583355_100011214914 [0,0,1,1,0,0|2,0,0]=4 558 B9R1.69 Oc1ccc(c(c1)Cl)F 271570a_203496583355_100011215976 [0,0,1,1,0,0|2,0,0]=4 559 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [0,0,1,1,0,0|1,0,1]=4 560 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [0,0,1,1,0,0|1,0,1]=4 561 B9R1.69 Oc1ccc(c(c1)F)Br 271570a_203496583355_100000685389 [0,0,1,1,0,0|2,0,0]=4 562 B9R1.69 Oc1ccc(c(c1)F)Cl 271570a_203496583355_100011216805 [0,0,1,1,0,0|2,0,0]=4 563 B9R1.69 Oc1ccc(c(c1)F)F 271570a_203496583355_100000750028 [0,0,1,1,0,0|2,0,0]=4 564 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [0,0,1,1,0,0|1,0,1]=4 565 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [0,0,1,1,0,0|1,0,1]=4 566 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [0,0,1,1,0,0|2,0,0]=4 567 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [0,0,1,1,0,0|2,0,0]=4 568 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [0,0,1,1,0,0|2,0,0]=4 569 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [0,0,1,1,0,0|2,0,0]=4 570 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [0,0,1,1,0,0|2,0,0]=4 571 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [0,0,1,1,0,0|2,0,0]=4 572 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [0,0,1,1,0,0|1,0,1]=4 573 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [0,0,1,1,0,0|1,0,1]=4 574 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [0,0,1,1,0,0|1,0,1]=4 575 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,0,1,1,0,0|2,0,0]=4 576 B9R1.14 C=Cc1ccsc1C=O 271570a_100011290941_100000766043 [0,0,1,1,0,0|2,0,0]=4 577 B9R1.14 C=Cc1cscc1C=O 271570a_100011290941_100000685484 [0,0,1,1,0,0|2,0,0]=4 578 B9R1.14 C=Cc1sccc1C=O 271570a_100011290941_100009816921 [0,0,1,1,0,0|0,1,0]=3 579 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [0,0,1,1,0,0|2,0,0]=4 580 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [0,0,1,1,0,0|2,0,0]=4 581 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [0,0,1,1,0,0|2,0,0]=4 582 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [0,0,1,1,0,0|2,0,0]=4 583 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [0,0,1,1,0,0|2,0,0]=4 584 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [0,0,1,1,0,0|2,0,0]=4 585 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [0,0,1,1,0,0|2,0,0]=4 586 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [0,0,1,1,0,0|1,0,1]=4 587 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [0,0,1,1,0,0|2,0,0]=4 588 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [0,0,1,1,0,0|2,0,0]=4 589 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [0,0,1,1,0,0|2,0,0]=4 590 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [0,0,1,1,0,0|2,0,0]=4 591 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [0,0,1,1,0,0|2,0,0]=4 592 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [0,0,1,1,0,0|1,0,1]=4 593 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,0,1,1,0,0|1,0,1]=4 594 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [0,0,1,1,0,0|1,0,1]=4 595 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [0,0,1,1,0,0|1,0,1]=4 596 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,0,1,1,0,0|1,0,1]=4 597 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,0,1,1,0,0|1,0,1]=4 598 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [0,0,1,1,0,0|1,0,1]=4 599 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [0,0,1,1,0,0|1,0,1]=4 600 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [0,0,1,1,0,0|1,0,1]=4 601 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [0,0,1,1,0,0|1,0,1]=4 602 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [0,0,1,1,0,0|1,0,1]=4 603 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [0,0,1,1,0,0|1,0,1]=4 604 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [0,0,1,1,0,0|0,0,2]=4 605 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,0,1,1,0,0|1,0,1]=4 606 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,0,1,1,0,0|1,0,1]=4 607 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,0,1,1,0,0|1,0,1]=4 608 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [0,0,1,1,0,0|1,0,1]=4 609 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [0,0,1,1,0,0|1,0,1]=4 610 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [0,0,1,1,0,0|1,0,1]=4 611 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [0,0,1,1,0,0|1,0,1]=4 612 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [0,0,1,1,0,0|1,0,1]=4 613 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [0,0,1,1,0,0|1,0,1]=4 614 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [0,0,1,1,0,0|1,0,1]=4 615 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [0,0,1,1,0,0|1,0,1]=4 616 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [0,0,1,1,0,0|1,0,0]=3 617 B9R1.21 C=Cc1cc(cs1)C=O 271570a_100011290941_100000737087 [0,0,1,1,0,0|0,1,0]=3 618 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,0,1,1,0,0|2,0,0]=4 619 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [0,0,1,1,0,0|2,0,0]=4 620 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [0,0,1,1,0,0|2,0,0]=4 621 B9R1.21 C=Cc1csc(c1)C=O 271570a_100011290941_100000211722 [0,0,1,1,0,0|2,0,0]=4 622 B9R1.21 C=Cc1nc(cs1)C=O 271570a_100011290941_100009816748 [0,0,1,1,0,0|1,1,0]=4 623 B9R1.21 C=Cc1ncc(s1)C=O 271570a_100011290941_100009814069 [0,0,1,1,0,0|2,0,0]=4 624 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,1,0,1,0,0|1,0,1]=4 625 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,1,0,1,0,0|1,0,1]=4 626 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,1,0,1,0,0|0,0,2]=4 627 B11R2.2 c1c[nH]c(n1)c2cnco2 271570a_100016988920_100020591547 [0,1,0,1,0,0|2,0,0]=4 628 B11R2.2 c1c[nH]c(n1)c2ncco2 271570a_100016988920_100011787736 [0,1,0,1,0,0|2,0,0]=4 629 B11R2.2 c1cc(c[nH]1)c2cnco2 271570a_100000102155_100020591547 [0,1,0,1,0,0|2,0,0]=4 630 B11R2.2 c1cc(co1)c2cnco2 271570a_100011218838_100020591547 [0,1,0,1,0,0|1,0,1]=4 631 B11R2.2 c1cc(n[nH]1)c2cnco2 271570a_100000062414_100020591547 [0,1,0,1,0,0|2,0,0]=4 632 B11R2.2 c1coc(c1)c2c[nH]cn2 271570a_100000750936_100000756875 [0,1,0,1,0,0|1,0,0]=3 633 B11R2.2 c1coc(c1)c2cc[nH]c2 271570a_100000102155_100009814098 [0,1,0,1,0,0|1,0,0]=3 634 B11R2.2 c1coc(c1)c2cc[nH]n2 271570a_100000062414_100009814098 [0,1,0,1,0,0|1,0,0]=3 635 B11R2.2 c1coc(c1)c2cc[nH]n2 271570a_100000750936_100000062575 [0,1,0,1,0,0|1,0,0]=3 636 B11R2.2 c1coc(c1)c2ccco2 271570a_100000750936_100009814098 [0,1,0,1,0,0|0,0,1]=3 637 B11R2.2 c1coc(c1)c2cccs2 271570a_100000742291_100009814098 [0,1,0,1,0,0|0,1,0]=3 638 B11R2.2 c1coc(c1)c2cccs2 271570a_100000750936_100011215356 [0,1,0,1,0,0|0,1,0]=3 639 B11R2.2 c1coc(c1)c2ccoc2 271570a_100000750936_100011215275 [0,1,0,1,0,0|0,0,1]=3 640 B11R2.2 c1coc(c1)c2ccoc2 271570a_100011218838_100009814098 [0,1,0,1,0,0|0,0,1]=3 641 B11R2.2 c1coc(c1)c2ccsc2 271570a_100000750936_100000738268 [0,1,0,1,0,0|0,1,0]=3 642 B11R2.2 c1coc(c1)c2ccsc2 271570a_100011934443_100009814098 [0,1,0,1,0,0|0,1,0]=3 643 B11R2.2 c1coc(c1)c2ccsn2 271570a_100000750936_100009818082 [0,1,0,1,0,0|0,1,0]=3 644 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000041997_100009814098 [0,1,0,1,0,0|2,0,0]=4 645 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000750936_100000238712 [0,1,0,1,0,0|2,0,0]=4 646 B11R2.2 c1coc(c1)c2cnco2 271570a_100000750936_100020591547 [0,1,0,1,0,0|0,0,1]=3 647 B11R2.2 c1coc(c1)c2cncs2 271570a_100000750936_100011934649 [0,1,0,1,0,0|0,1,0]=3 648 B11R2.2 c1coc(c1)c2cncs2 271570a_100010231675_100009814098 [0,1,0,1,0,0|0,1,0]=3 649 B11R2.2 c1coc(c1)c2cnoc2 271570a_100000750936_100009815712 [0,1,0,1,0,0|1,0,1]=4 650 B11R2.2 c1coc(c1)c2cnsc2 271570a_100000750936_100009815736 [0,1,0,1,0,0|1,1,0]=4 651 B11R2.2 c1coc(c1)c2cscn2 271570a_100000750936_100000751502 [0,1,0,1,0,0|1,0,0]=3 652 B11R2.2 c1coc(c1)c2nc[nH]n2 271570a_100000750936_100000761765 [0,1,0,1,0,0|2,0,0]=4 653 B11R2.2 c1coc(c1)c2ncc[nH]2 271570a_100000750936_100025796157 [0,1,0,1,0,0|1,0,0]=3 654 B11R2.2 c1coc(c1)c2ncc[nH]2 271570a_100016988920_100009814098 [0,1,0,1,0,0|1,0,0]=3 655 B11R2.2 c1coc(c1)c2ncco2 271570a_100000750936_100011787736 [0,1,0,1,0,0|0,0,1]=3 656 B11R2.2 c1coc(c1)c2nccs2 271570a_100000750936_100000211983 [0,1,0,1,0,0|0,1,0]=3 657 B11R2.2 c1coc(c1)c2ncns2 271570a_100000750936_100000693119 [0,1,0,1,0,0|1,1,0]=4 658 B11R2.2 c1coc(c1)c2nncs2 271570a_100000750936_100000739804 [0,1,0,1,0,0|1,1,0]=4 659 B11R2.2 c1coc(n1)c2cc[nH]c2 271570a_100000102155_100011787736 [0,1,0,1,0,0|2,0,0]=4 660 B11R2.2 c1coc(n1)c2cc[nH]n2 271570a_100000062414_100011787736 [0,1,0,1,0,0|2,0,0]=4 661 B11R2.2 c1coc(n1)c2ccoc2 271570a_100011218838_100011787736 [0,1,0,1,0,0|1,0,1]=4 662 B11R2.2 c1coc(n1)c2ccsc2 271570a_100011934443_100011787736 [0,1,0,1,0,0|1,1,0]=4 663 B11R2.2 c1coc(n1)c2cncs2 271570a_100010231675_100011787736 [0,1,0,1,0,0|1,1,0]=4 664 B11R2.2 c1csc(c1)c2c[nH]cn2 271570a_100000742291_100000756875 [0,1,0,1,0,0|1,1,0]=4 665 B11R2.2 c1csc(c1)c2cc[nH]c2 271570a_100000102155_100011215356 [0,1,0,1,0,0|1,1,0]=4 666 B11R2.2 c1csc(c1)c2cc[nH]n2 271570a_100000062414_100011215356 [0,1,0,1,0,0|1,1,0]=4 667 B11R2.2 c1csc(c1)c2cc[nH]n2 271570a_100000742291_100000062575 [0,1,0,1,0,0|1,1,0]=4 668 B11R2.2 c1csc(c1)c2cccs2 271570a_100000742291_100011215356 [0,1,0,1,0,0|0,2,0]=4 669 B11R2.2 c1csc(c1)c2ccoc2 271570a_100000742291_100011215275 [0,1,0,1,0,0|0,1,1]=4 670 B11R2.2 c1csc(c1)c2ccoc2 271570a_100011218838_100011215356 [0,1,0,1,0,0|0,1,1]=4 671 B11R2.2 c1csc(c1)c2ccsc2 271570a_100000742291_100000738268 [0,1,0,1,0,0|0,2,0]=4 672 B11R2.2 c1csc(c1)c2ccsc2 271570a_100011934443_100011215356 [0,1,0,1,0,0|0,2,0]=4 673 B11R2.2 c1csc(c1)c2ccsn2 271570a_100000742291_100009818082 [0,1,0,1,0,0|0,2,0]=4 674 B11R2.2 c1csc(c1)c2cnco2 271570a_100000742291_100020591547 [0,1,0,1,0,0|0,1,1]=4 675 B11R2.2 c1csc(c1)c2cncs2 271570a_100000742291_100011934649 [0,1,0,1,0,0|0,2,0]=4 676 B11R2.2 c1csc(c1)c2cncs2 271570a_100010231675_100011215356 [0,1,0,1,0,0|0,2,0]=4 677 B11R2.2 c1csc(c1)c2cscn2 271570a_100000742291_100000751502 [0,1,0,1,0,0|1,1,0]=4 678 B11R2.2 c1csc(c1)c2ncc[nH]2 271570a_100000742291_100025796157 [0,1,0,1,0,0|1,1,0]=4 679 B11R2.2 c1csc(c1)c2ncc[nH]2 271570a_100016988920_100011215356 [0,1,0,1,0,0|1,1,0]=4 680 B11R2.2 c1csc(c1)c2ncco2 271570a_100000742291_100011787736 [0,1,0,1,0,0|0,1,1]=4 681 B11R2.2 c1csc(c1)c2nccs2 271570a_100000742291_100000211983 [0,1,0,1,0,0|0,2,0]=4 682 B11R2.2 c1ncc(o1)c2ccsc2 271570a_100011934443_100020591547 [0,1,0,1,0,0|1,1,0]=4 683 B11R2.2 c1ncc(o1)c2cncs2 271570a_100010231675_100020591547 [0,1,0,1,0,0|1,1,0]=4 684 B11R2.106 Oc1cccc2c1CC=C2 271570a_203496583355_100009844718 [0,1,0,1,0,0|2,0,0]=4 685 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [0,1,0,1,0,0|2,0,0]=4 686 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [0,1,0,1,0,0|1,0,1]=4 687 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [0,1,0,1,0,0|0,0,1]=3 688 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [0,1,0,1,0,0|0,1,1]=4 689 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [0,1,0,1,0,0|1,0,1]=4 690 B11R2.106 Oc1cccc2c1nco2 271570a_203496583355_100009816834 [0,1,0,1,0,0|1,0,1]=4 691 B11R2.106 Oc1cccc2c1occ2 271570a_203496583355_100011935138 [0,1,0,1,0,0|1,0,0]=3 692 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [0,1,0,1,0,0|2,0,0]=4 693 B11R2.106 Oc1cccc2c1onc2 271570a_203496583355_100000765530 [0,1,0,1,0,0|2,0,0]=4 694 B11R2.106 Oc1cccc2c1scc2 271570a_203496583355_100000766737 [0,1,0,1,0,0|1,1,0]=4 695 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,1,0,1,0,0|2,0,0]=4 696 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [0,1,0,1,0,0|1,0,1]=4 697 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [0,1,0,1,0,0|0,1,1]=4 698 B11R2.106 Oc1ccnc2c1occ2 271570a_203496583355_100009853057 [0,1,0,1,0,0|1,0,0]=3 699 B11R2.106 Oc1ccnc2c1scc2 271570a_203496583355_100000723842 [0,1,0,1,0,0|1,1,0]=4 700 B11R2.106 Oc1cncc2c1cc[nH]2 271570a_203496583355_100009840476 [0,1,0,1,0,0|1,0,1]=4 701 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [0,1,0,1,0,0|1,0,1]=4 702 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,1,0,1,0,0|0,0,1]=3 703 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [0,1,0,1,0,0|0,1,1]=4 704 B11R2.106 Oc1ncnc2c1cco2 271570a_203496583355_100000094286 [0,1,0,1,0,0|1,0,1]=4 705 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,1,0,1,0,0|2,0,0]=4 706 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,1,0,1,0,0|1,0,0]=3 707 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,1,0,1,0,0|1,1,0]=4 708 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [0,1,0,1,0,0|1,0,1]=4 709 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [0,1,0,1,0,0|1,1,0]=4 710 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [0,1,0,1,0,0|1,0,1]=4 711 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [0,1,0,1,0,0|1,0,1]=4 712 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [0,1,0,1,0,0|1,0,1]=4 713 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [0,1,0,1,0,0|2,0,0]=4 714 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [0,1,0,1,0,0|2,0,0]=4 715 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [0,1,0,1,0,0|1,0,0]=3 716 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [0,1,0,1,0,0|1,1,0]=4 717 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [0,1,0,1,0,0|2,0,0]=4 718 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [0,1,0,1,0,0|2,0,0]=4 719 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [0,1,0,1,0,0|0,0,1]=3 720 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [0,1,0,1,0,0|0,0,1]=3 721 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [0,1,0,1,0,0|1,0,1]=4 722 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [0,1,0,1,0,0|1,0,1]=4 723 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [0,1,0,1,0,0|0,1,1]=4 724 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [0,1,0,1,0,0|0,1,1]=4 725 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [0,1,0,1,0,0|2,0,0]=4 726 B11R2.36 Oc1cnc2ncoc2c1 271570a_203496583355_100000721906 [0,1,0,1,0,0|2,0,0]=4