0 B10R1.21 BrCCOCc1c[nH]cn1 34a_100000211926_100000707719 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.21 BrCCOCc1ccn[nH]1 34a_100000211926_100000728653 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.21 BrCCOCc1ccon1 34a_100000211926_100000234950 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.21 BrCCOCc1cncs1 34a_100000211926_100015185245 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.21 BrCCOCc1cscn1 34a_100000211926_100000205941 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.21 BrCCOCc1ncc[nH]1 34a_100000211926_100016991755 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.21 BrCCOCc1nccs1 34a_100000211926_100015184050 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.21 C#CCCSc1cccs1 62a_100000688953_100011215356 [0,0,0,0,0,0|1,1,2]=4 12 B10R1.21 C#CCCSc1cccs1 62a_100011215356_100000688953 [0,0,0,0,0,0|1,1,2]=4 13 B10R1.21 C#CCCSc1cnco1 62a_100000688953_100020591547 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.21 C#CCCSc1cnco1 62a_100020591547_100000688953 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.21 C#CCCSc1ncco1 62a_100000688953_100011787736 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.21 C#CCCSc1ncco1 62a_100011787736_100000688953 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.21 C#CCNCc1cccs1 2230a_100000211653_100000038162 [0,0,0,0,0,0|1,1,2]=4 20 B10R1.21 C#CCNCc1ncco1 2230a_100016994969_100000038162 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.21 C#CCNCc1ncco1 34a_100000212058_103436540062 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.21 C#CCOCc1cccs1 34a_100000211240_100000184674 [0,0,0,0,0,0|1,1,2]=4 24 B10R1.21 C#CCOCc1ccno1 34a_100000740478_100000184674 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.21 C#CCOCc1ncco1 34a_100000062594_100000184674 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.21 C#CCOCc1ncco1 34a_100000210247_103436540062 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,0,0,0,0,0|1,1,2]=4 31 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,0,0,0,0,0|1,1,2]=4 32 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,0,0,0,0,0|1,0,2]=3 38 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,0,0,0,0,0|1,1,2]=4 39 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,0,0,0,0,0|1,1,2]=4 40 B10R1.21 C=CCCSc1cnco1 62a_100000754431_100020591547 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.21 C=CCCSc1cnco1 62a_100020591547_100000754431 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.21 C=CCCSc1ncco1 62a_100000754431_100011787736 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.21 C=CCCSc1ncco1 62a_100011787736_100000754431 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,0,0,0,0,0|1,0,2]=3 45 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,0,0,0,0,0|1,0,2]=3 46 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,0,0,0,0,0|1,0,2]=3 47 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,0,0,0,0,0|1,1,2]=4 48 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,0,0,0,0,0|1,1,2]=4 49 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,0,0,0,0,0|1,0,2]=3 54 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,0,0,0,0,0|1,1,2]=4 55 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.21 CC#CCSc1cccs1 62a_100000748600_100011215356 [0,0,0,0,0,0|1,1,2]=4 63 B10R1.21 CC#CCSc1cccs1 62a_100011215356_100000748600 [0,0,0,0,0,0|1,1,2]=4 64 B10R1.21 CC#CCSc1cnco1 62a_100000748600_100020591547 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.21 CC#CCSc1cnco1 62a_100020591547_100000748600 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.21 CC#CCSc1ncco1 62a_100000748600_100011787736 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.21 CC#CCSc1ncco1 62a_100011787736_100000748600 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,0,0,0,0,0|1,0,2]=3 69 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,0,0,0,0,0|1,0,2]=3 70 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,0,0,0,0,0|1,1,2]=4 71 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,0,0,0,0,0|1,1,2]=4 72 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [0,0,0,0,0,0|2,0,2]=4 73 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [0,0,0,0,0,0|2,0,2]=4 74 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [0,0,0,0,0,0|2,0,2]=4 75 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.21 CCCC=Cc1c[nH]cn1 271570a_100016258520_100000756875 [0,0,0,0,0,0|2,0,2]=4 77 B10R1.21 CCCC=Cc1cc[nH]n1 271570a_100016258520_100000062575 [0,0,0,0,0,0|2,0,2]=4 78 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,0,0,0,0,0|0,0,2]=2 79 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,0,0,0,0,0|0,1,2]=3 80 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [0,0,0,0,0,0|2,0,2]=4 81 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [0,0,0,0,0,0|2,0,2]=4 82 B10R1.21 CCCC=Cc1ccsn1 271570a_100016258520_100009818082 [0,0,0,0,0,0|2,0,2]=4 83 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,0,0,0,0,0|1,0,2]=3 84 B10R1.21 CCCC=Cc1cncs1 271570a_100016258520_100011934649 [0,0,0,0,0,0|1,1,2]=4 85 B10R1.21 CCCC=Cc1cscn1 271570a_100016258520_100000751502 [0,0,0,0,0,0|2,0,2]=4 86 B10R1.21 CCCC=Cc1ncc[nH]1 271570a_100016258520_100025796157 [0,0,0,0,0,0|2,0,2]=4 87 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,0,0,0,0,0|1,0,2]=3 88 B10R1.21 CCCC=Cc1nccs1 271570a_100016258520_100000211983 [0,0,0,0,0,0|1,1,2]=4 89 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,0,0,0,0,0|2,0,1]=3 90 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,0,0,0,0,0|2,0,2]=4 91 B10R1.21 CCCCNc1ncns1 27a_100000102301_100000693119 [0,0,0,0,0,0|3,1,0]=4 92 B10R1.21 CCCCNc1nncs1 27a_100000102301_100000739804 [0,0,0,0,0,0|3,1,0]=4 93 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.21 CCCCSc1c[nH]nn1 62a_100000210211_100009819707 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.21 CCCCSc1c[nH]nn1 62a_100009819707_100000210210 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,0,0,0,0,0|1,0,0]=1 102 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,0,0,0,0,0|1,0,0]=1 103 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,0,0,0,0,0|1,1,0]=2 104 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,0,0,0,0,0|1,1,0]=2 105 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.21 CCCCSc1cn[nH]c1 62a_100000210211_100000238712 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.21 CCCCSc1cn[nH]c1 62a_100000238712_100000210210 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,0,0,0,0,0|2,0,0]=2 116 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,0,0,0,0,0|2,1,0]=3 118 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,0,0,0,0,0|2,1,0]=3 119 B10R1.21 CCCCSc1cnoc1 62a_100000210211_100009815712 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.21 CCCCSc1cnoc1 62a_100009815712_100000210210 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.21 CCCCSc1cnsc1 62a_100000210211_100009815736 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.21 CCCCSc1cnsc1 62a_100009815736_100000210210 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.21 CCCCSc1nc[nH]n1 62a_100000210211_100000761765 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.21 CCCCSc1nc[nH]n1 62a_100000761765_100000210210 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,0,0,0,0,0|2,0,0]=2 130 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,0,0,0,0,0|2,0,0]=2 131 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,0,0,0,0,0|2,1,0]=3 132 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,0,0,0,0,0|2,1,0]=3 133 B10R1.21 CCCCSc1ncns1 62a_100000210211_100000693119 [0,0,0,0,0,0|3,1,0]=4 134 B10R1.21 CCCCSc1ncns1 62a_100000693119_100000210210 [0,0,0,0,0,0|3,1,0]=4 135 B10R1.21 CCCCSc1nncs1 62a_100000210211_100000739804 [0,0,0,0,0,0|3,1,0]=4 136 B10R1.21 CCCCSc1nncs1 62a_100000739804_100000210210 [0,0,0,0,0,0|3,1,0]=4 137 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,0,0,0,0,0|1,0,0]=1 140 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,0,0,0,0,0|1,0,0]=1 141 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,0,0,0,0,0|1,0,0]=1 142 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,0,0,0,0,0|1,0,0]=1 143 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,0,0,0,0,0|1,1,0]=2 144 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,0,0,0,0,0|1,1,0]=2 145 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,0,0,0,0,0|1,1,0]=2 146 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,0,0,0,0,0|3,0,0]=3 147 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,0,0,0,0,0|3,0,0]=3 148 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,0,0,0,0,0|3,0,0]=3 152 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,0,0,0,0,0|3,0,0]=3 153 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.21 CCCNCc1cn[nH]c1 207a_100020643023_100016992096 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.21 CCCNCc1cn[nH]c1 270004a_100020643023_100016992096 [0,0,0,0,0,0|4,0,0]=4 156 B10R1.21 CCCNCc1cnc[nH]1 207a_100020643023_100000742939 [0,0,0,0,0,0|3,0,0]=3 157 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,0,0,0,0,0|2,0,0]=2 158 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,0,0,0,0,0|2,1,0]=3 159 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,0,0,0,0,0|2,1,0]=3 160 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,0,0,0,0,0|2,1,0]=3 161 B10R1.21 CCCNCc1cocn1 270004a_100020643023_100000050382 [0,0,0,0,0,0|3,0,0]=3 162 B10R1.21 CCCNCc1cscn1 207a_100020643023_100000743575 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.21 CCCNCc1cscn1 2230a_100015185402_100000210303 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.21 CCCNCc1cscn1 270004a_100020643023_100000743575 [0,0,0,0,0,0|3,0,0]=3 165 B10R1.21 CCCNCc1csnn1 270004a_100020643023_100000738508 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.21 CCCNCc1ncc[nH]1 207a_100020643023_100000743867 [0,0,0,0,0,0|3,0,0]=3 167 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,0,0,0,0,0|2,0,0]=2 168 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,0,0,0,0,0|2,0,0]=2 169 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,0,0,0,0,0|2,1,0]=3 170 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,0,0,0,0,0|2,1,0]=3 171 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,0,0,0,0,0|2,1,0]=3 172 B10R1.21 CCCNCc1nnc[nH]1 2230a_200015183720_100000210303 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.21 CCCNN=C1C=CCC1 4a_100000740057_100000239507 [0,0,0,0,0,0|3,0,1]=4 174 B10R1.21 CCCNN=C1CC=CC1 4a_100000740057_100000766571 [0,0,0,0,0,0|3,0,1]=4 175 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,0,0,0,0,0|2,0,2]=4 176 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [0,0,0,0,0,0|3,0,0]=3 177 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,0,0,0,0,0|1,0,0]=1 178 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,0,0,0,0,0|1,1,0]=2 179 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,0,0,0,0,0|3,0,0]=3 180 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,0,0,0,0,0|2,0,0]=2 181 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,0,0,0,0,0|3,0,0]=3 182 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,0,0,0,0,0|3,0,0]=3 183 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,0,0,0,0,0|3,0,0]=3 184 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,0,0,0,0,0|3,0,0]=3 185 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,0,0,0,0,0|2,1,0]=3 186 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [0,0,0,0,0,0|3,0,0]=3 187 B10R1.21 CCCOCc1ncc[nH]1 34a_100000210258_100016991755 [0,0,0,0,0,0|3,0,0]=3 188 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,0,0,0,0,0|2,0,0]=2 189 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,0,0,0,0,0|2,0,0]=2 190 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,0,0,0,0,0|2,1,0]=3 191 B10R1.21 CCCOCc1ncon1 34a_100000210258_100000233494 [0,0,0,0,0,0|4,0,0]=4 192 B10R1.21 CCCOCn1cccn1 34a_100000731028_100000210303 [0,0,0,0,0,0|3,0,0]=3 193 B10R1.21 CCCOCn1cncn1 34a_100000210258_200020645497 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,0,0,0,0,0|3,0,0]=3 195 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,0,0,0,0,0|3,0,0]=3 196 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,0,0,0,0,0|3,0,0]=3 197 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,0,0,0,0,0|3,0,0]=3 198 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,0,0,0,0,0|3,0,0]=3 199 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,0,0,0,0,0|3,0,0]=3 200 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,0,0,0,0,0|3,0,0]=3 201 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,0,0,0,0,0|2,1,0]=3 203 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,0,0,0,0,0|2,1,0]=3 204 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,0,0,0,0,0|3,0,0]=3 205 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,0,0,0,0,0|3,0,0]=3 206 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,0,0,0,0,0|3,0,0]=3 207 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,0,0,0,0,0|3,0,0]=3 208 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,0,0,0,0,0|2,0,0]=2 209 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,0,0,0,0,0|2,0,0]=2 210 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,0,0,0,0,0|2,1,0]=3 211 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,0,0,0,0,0|2,1,0]=3 212 B10R1.21 CCCSCc1ncon1 62a_100000210303_100000233494 [0,0,0,0,0,0|4,0,0]=4 213 B10R1.21 CCCSCc1ncon1 62a_100000233494_100000210303 [0,0,0,0,0,0|4,0,0]=4 214 B10R1.21 CCCSCn1cncn1 62a_100000210303_200020645497 [0,0,0,0,0,0|4,0,0]=4 215 B10R1.21 CCCSCn1cncn1 62a_200020645497_100000210303 [0,0,0,0,0,0|4,0,0]=4 216 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,0,0,0,0,0|3,0,0]=3 217 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,0,0,0,0,0|1,0,0]=1 218 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,0,0,0,0,0|1,0,0]=1 219 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,0,0,0,0,0|1,1,0]=2 220 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,0,0,0,0,0|1,1,0]=2 221 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,0,0,0,0,0|1,1,0]=2 222 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,0,0,0,0,0|3,0,0]=3 223 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,0,0,0,0,0|3,0,0]=3 224 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [0,0,0,0,0,0|4,0,0]=4 225 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [0,0,0,0,0,0|4,0,0]=4 226 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,0,0,0,0,0|2,1,0]=3 227 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,0,0,0,0,0|2,1,0]=3 228 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,0,0,0,0,0|3,0,0]=3 229 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,0,0,0,0,0|3,0,0]=3 230 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [0,0,0,0,0,0|3,0,0]=3 231 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [0,0,0,0,0,0|3,0,0]=3 232 B10R1.21 CCNCCn1cncn1 2230a_100015525214_100000731791 [0,0,0,0,0,0|4,0,0]=4 233 B10R1.21 CCNCCn1cncn1 2230a_200000738561_100000210202 [0,0,0,0,0,0|4,0,0]=4 234 B10R1.21 CCNN=Cc1ccc[nH]1 4a_100000756455_100000211237 [0,0,0,0,0,0|3,0,1]=4 235 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [0,0,0,0,0,0|2,0,1]=3 236 B10R1.21 CCNN=Cc1cccs1 4a_100000756455_100000209959 [0,0,0,0,0,0|2,1,1]=4 237 B10R1.21 CCNN=Cc1cnco1 4a_100000756455_100000064291 [0,0,0,0,0,0|3,0,1]=4 238 B10R1.21 CCNN=Cc1ncco1 4a_100000756455_100000064290 [0,0,0,0,0,0|3,0,1]=4 239 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [0,0,0,0,0,0|1,0,2]=3 240 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [0,0,0,0,0,0|1,1,2]=4 241 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [0,0,0,0,0,0|2,0,2]=4 242 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [0,0,0,0,0,0|2,0,2]=4 243 B10R1.21 CCOCCN1CC=CC1 269982a_100015195280_100011215890 [0,0,0,0,0,0|3,0,1]=4 244 B10R1.21 CCOCC[n+]1ccsc1 34a_200000100414_100000210202 [0,0,0,0,0,0|4,0,0]=4 245 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,0,0,0,0,0|1,1,0]=2 246 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,0,0,0,0,0|1,1,0]=2 247 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,0,0,0,0,0|1,1,0]=2 248 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,0,0,0,0,0|3,0,0]=3 249 B10R1.21 CCOCCc1cn[nH]c1 34a_100000766553_100000210202 [0,0,0,0,0,0|4,0,0]=4 250 B10R1.21 CCOCCc1cnoc1 34a_100000732699_100000210202 [0,0,0,0,0,0|4,0,0]=4 251 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [0,0,0,0,0,0|3,0,0]=3 252 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,0,0,0,0,0|3,0,0]=3 253 B10R1.21 CCOCCn1cccn1 34a_100000743371_100000210202 [0,0,0,0,0,0|3,0,0]=3 254 B10R1.21 CCOCCn1cccn1 34a_100121572206_100015204718 [0,0,0,0,0,0|3,0,0]=3 255 B10R1.21 CCOCCn1ccnc1 34a_100000719764_100000210202 [0,0,0,0,0,0|4,0,0]=4 256 B10R1.21 CCOCCn1ccnn1 34a_100000080814_100000210202 [0,0,0,0,0,0|4,0,0]=4 257 B10R1.21 CCOCCn1cncn1 34a_100000745309_100000210202 [0,0,0,0,0,0|4,0,0]=4 258 B10R1.21 CCOCCn1cncn1 34a_100121572206_200000749826 [0,0,0,0,0,0|4,0,0]=4 259 B10R1.21 CCOCSc1c[nH]cn1 62a_100000739092_100000756875 [0,0,0,0,0,0|4,0,0]=4 260 B10R1.21 CCOCSc1c[nH]cn1 62a_100000756875_100000739092 [0,0,0,0,0,0|4,0,0]=4 261 B10R1.21 CCOCSc1cc[nH]n1 62a_100000062575_100000739092 [0,0,0,0,0,0|4,0,0]=4 262 B10R1.21 CCOCSc1cc[nH]n1 62a_100000739092_100000062575 [0,0,0,0,0,0|4,0,0]=4 263 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,0,0,0,0,0|2,0,0]=2 264 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,0,0,0,0,0|2,0,0]=2 265 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [0,0,0,0,0,0|2,1,0]=3 266 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [0,0,0,0,0,0|2,1,0]=3 267 B10R1.21 CCOCSc1ccoc1 62a_100000739092_100011215275 [0,0,0,0,0,0|4,0,0]=4 268 B10R1.21 CCOCSc1ccoc1 62a_100011215275_100000739092 [0,0,0,0,0,0|4,0,0]=4 269 B10R1.21 CCOCSc1ccon1 62a_100000739092_100009818083 [0,0,0,0,0,0|4,0,0]=4 270 B10R1.21 CCOCSc1ccon1 62a_100009818083_100000739092 [0,0,0,0,0,0|4,0,0]=4 271 B10R1.21 CCOCSc1ccsc1 62a_100000738268_100000739092 [0,0,0,0,0,0|4,0,0]=4 272 B10R1.21 CCOCSc1ccsc1 62a_100000739092_100000738268 [0,0,0,0,0,0|4,0,0]=4 273 B10R1.21 CCOCSc1ccsn1 62a_100000739092_100009818082 [0,0,0,0,0,0|4,0,0]=4 274 B10R1.21 CCOCSc1ccsn1 62a_100009818082_100000739092 [0,0,0,0,0,0|4,0,0]=4 275 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [0,0,0,0,0,0|3,0,0]=3 276 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [0,0,0,0,0,0|3,0,0]=3 277 B10R1.21 CCOCSc1cncs1 62a_100000739092_100011934649 [0,0,0,0,0,0|3,1,0]=4 278 B10R1.21 CCOCSc1cncs1 62a_100011934649_100000739092 [0,0,0,0,0,0|3,1,0]=4 279 B10R1.21 CCOCSc1cscn1 62a_100000739092_100000751502 [0,0,0,0,0,0|4,0,0]=4 280 B10R1.21 CCOCSc1cscn1 62a_100000751502_100000739092 [0,0,0,0,0,0|4,0,0]=4 281 B10R1.21 CCOCSc1ncc[nH]1 62a_100000739092_100025796157 [0,0,0,0,0,0|4,0,0]=4 282 B10R1.21 CCOCSc1ncc[nH]1 62a_100025796157_100000739092 [0,0,0,0,0,0|4,0,0]=4 283 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [0,0,0,0,0,0|3,0,0]=3 284 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [0,0,0,0,0,0|3,0,0]=3 285 B10R1.21 CCOCSc1nccs1 62a_100000211983_100000739092 [0,0,0,0,0,0|3,1,0]=4 286 B10R1.21 CCOCSc1nccs1 62a_100000739092_100000211983 [0,0,0,0,0,0|3,1,0]=4 287 B10R1.21 CCSCCN1CC=CC1 269982a_100015195280_100000757381 [0,0,0,0,0,0|3,0,1]=4 288 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,0,0,0,0,0|3,0,0]=3 289 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,0,0,0,0,0|3,0,0]=3 290 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,0,0,0,0,0|1,1,0]=2 291 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,0,0,0,0,0|1,1,0]=2 292 B10R1.21 CCSCCc1cn[nH]c1 62a_100000210202_100000743252 [0,0,0,0,0,0|4,0,0]=4 293 B10R1.21 CCSCCc1cn[nH]c1 62a_100000743252_100000210202 [0,0,0,0,0,0|4,0,0]=4 294 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,0,0,0,0,0|3,0,0]=3 295 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,0,0,0,0,0|3,0,0]=3 296 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [0,0,0,0,0,0|3,0,0]=3 297 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [0,0,0,0,0,0|3,0,0]=3 298 B10R1.21 CCSCCn1ccnc1 62a_100000210202_100000702546 [0,0,0,0,0,0|4,0,0]=4 299 B10R1.21 CCSCCn1ccnc1 62a_100000702546_100000210202 [0,0,0,0,0,0|4,0,0]=4 300 B10R1.21 CCSCCn1cncn1 62a_100000210202_100000731791 [0,0,0,0,0,0|4,0,0]=4 301 B10R1.21 CCSCCn1cncn1 62a_100000731791_100000210202 [0,0,0,0,0,0|4,0,0]=4 302 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,0,0,0,0,0|1,0,2]=3 303 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,0,0,0,0,0|1,1,0]=2 304 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,0,0,0,0,0|1,1,0]=2 305 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,0,0,0,0,0|1,1,0]=2 306 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,0,0,0,0,0|3,0,0]=3 307 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,0,0,0,0,0|3,0,0]=3 308 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,0,0,0,0,0|3,0,0]=3 309 B10R1.21 CNCCCn1cccn1 2230a_106832991635_100000739983 [0,0,0,0,0,0|3,0,0]=3 310 B10R1.21 CNCCCn1cccn1 7a_106832991635_100000739983 [0,0,0,0,0,0|3,0,0]=3 311 B10R1.21 CNCCCn1ccnc1 2230a_106832991635_100000756272 [0,0,0,0,0,0|4,0,0]=4 312 B10R1.21 CNCCCn1ccnc1 34a_100102657272_100000756272 [0,0,0,0,0,0|4,0,0]=4 313 B10R1.21 CNCCCn1ccnc1 7a_106832991635_100000756272 [0,0,0,0,0,0|4,0,0]=4 314 B10R1.21 CNCCCn1cncn1 2230a_106832991635_100102700105 [0,0,0,0,0,0|4,0,0]=4 315 B10R1.21 CNCCCn1cncn1 34a_100102657272_100102700105 [0,0,0,0,0,0|4,0,0]=4 316 B10R1.21 CNCCCn1cncn1 7a_106832991635_100102700105 [0,0,0,0,0,0|4,0,0]=4 317 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [0,0,0,0,0,0|1,0,2]=3 318 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,0,0,0,0,0|1,1,2]=4 319 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [0,0,0,0,0,0|2,0,2]=4 320 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [0,0,0,0,0,0|2,0,2]=4 321 B10R1.21 COCCCN1CC=CC1 269982a_100015195280_100000740836 [0,0,0,0,0,0|3,0,1]=4 322 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,0,0,0,0,0|1,1,0]=2 323 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,0,0,0,0,0|1,1,0]=2 324 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,0,0,0,0,0|1,1,0]=2 325 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,0,0,0,0,0|3,0,0]=3 326 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,0,0,0,0,0|3,0,0]=3 327 B10R1.21 COCCCc1cnoc1 34a_100011738005_200000210301 [0,0,0,0,0,0|4,0,0]=4 328 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,0,0,0,0,0|3,0,0]=3 329 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,0,0,0,0,0|3,0,0]=3 330 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,0,0,0,0,0|3,0,0]=3 331 B10R1.21 COCCCn1cccn1 34a_100000753614_200000210301 [0,0,0,0,0,0|3,0,0]=3 332 B10R1.21 COCCCn1ccnc1 34a_100000240236_200000210301 [0,0,0,0,0,0|4,0,0]=4 333 B10R1.21 COCCCn1ccnc1 34a_100138415774_100000756272 [0,0,0,0,0,0|4,0,0]=4 334 B10R1.21 COCCCn1cncn1 34a_100011305697_200000210301 [0,0,0,0,0,0|4,0,0]=4 335 B10R1.21 COCCCn1cncn1 34a_100138415774_100102700105 [0,0,0,0,0,0|4,0,0]=4 336 B10R1.21 COCCOc1ccsc1 34a_100000106738_100011201679 [0,0,0,0,0,0|4,0,0]=4 337 B10R1.21 COCCOc1ccsc1 7a_100000106738_100000233755 [0,0,0,0,0,0|4,0,0]=4 338 B10R1.21 COCCSc1c[nH]cn1 62a_100000233755_100000756875 [0,0,0,0,0,0|4,0,0]=4 339 B10R1.21 COCCSc1c[nH]cn1 62a_100000756875_100000233755 [0,0,0,0,0,0|4,0,0]=4 340 B10R1.21 COCCSc1cc[nH]n1 62a_100000062575_100000233755 [0,0,0,0,0,0|4,0,0]=4 341 B10R1.21 COCCSc1cc[nH]n1 62a_100000233755_100000062575 [0,0,0,0,0,0|4,0,0]=4 342 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,0,0,0,0,0|2,0,0]=2 343 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,0,0,0,0,0|2,0,0]=2 344 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,0,0,0,0,0|2,1,0]=3 345 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,0,0,0,0,0|2,1,0]=3 346 B10R1.21 COCCSc1ccoc1 62a_100000233755_100011215275 [0,0,0,0,0,0|4,0,0]=4 347 B10R1.21 COCCSc1ccoc1 62a_100011215275_100000233755 [0,0,0,0,0,0|4,0,0]=4 348 B10R1.21 COCCSc1ccon1 62a_100000233755_100009818083 [0,0,0,0,0,0|4,0,0]=4 349 B10R1.21 COCCSc1ccon1 62a_100009818083_100000233755 [0,0,0,0,0,0|4,0,0]=4 350 B10R1.21 COCCSc1ccsc1 62a_100000233755_100000738268 [0,0,0,0,0,0|4,0,0]=4 351 B10R1.21 COCCSc1ccsc1 62a_100000738268_100000233755 [0,0,0,0,0,0|4,0,0]=4 352 B10R1.21 COCCSc1ccsn1 62a_100000233755_100009818082 [0,0,0,0,0,0|4,0,0]=4 353 B10R1.21 COCCSc1ccsn1 62a_100009818082_100000233755 [0,0,0,0,0,0|4,0,0]=4 354 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [0,0,0,0,0,0|3,0,0]=3 355 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [0,0,0,0,0,0|3,0,0]=3 356 B10R1.21 COCCSc1cncs1 62a_100000233755_100011934649 [0,0,0,0,0,0|3,1,0]=4 357 B10R1.21 COCCSc1cncs1 62a_100011934649_100000233755 [0,0,0,0,0,0|3,1,0]=4 358 B10R1.21 COCCSc1cscn1 62a_100000233755_100000751502 [0,0,0,0,0,0|4,0,0]=4 359 B10R1.21 COCCSc1cscn1 62a_100000751502_100000233755 [0,0,0,0,0,0|4,0,0]=4 360 B10R1.21 COCCSc1ncc[nH]1 62a_100000233755_100025796157 [0,0,0,0,0,0|4,0,0]=4 361 B10R1.21 COCCSc1ncc[nH]1 62a_100025796157_100000233755 [0,0,0,0,0,0|4,0,0]=4 362 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [0,0,0,0,0,0|3,0,0]=3 363 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [0,0,0,0,0,0|3,0,0]=3 364 B10R1.21 COCCSc1nccs1 62a_100000211983_100000233755 [0,0,0,0,0,0|3,1,0]=4 365 B10R1.21 COCCSc1nccs1 62a_100000233755_100000211983 [0,0,0,0,0,0|3,1,0]=4 366 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,0,0,0,0,0|2,0,0]=2 367 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,0,0,0,0,0|2,1,0]=3 368 B10R1.21 COCNCc1ccoc1 2230a_100015206860_100000766300 [0,0,0,0,0,0|4,0,0]=4 369 B10R1.21 COCNCc1ccsc1 2230a_100000186416_100000766300 [0,0,0,0,0,0|4,0,0]=4 370 B10R1.21 COCNCc1cncs1 2230a_100016987365_100000766300 [0,0,0,0,0,0|3,1,0]=4 371 B10R1.21 COCNCc1cscn1 2230a_100015185402_100000766300 [0,0,0,0,0,0|4,0,0]=4 372 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [0,0,0,0,0,0|3,0,0]=3 373 B10R1.21 COCNCc1nccs1 2230a_100000740555_100000766300 [0,0,0,0,0,0|3,1,0]=4 374 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [0,0,0,0,0,0|4,0,0]=4 375 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [0,0,0,0,0,0|4,0,0]=4 376 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [0,0,0,0,0,0|4,0,0]=4 377 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [0,0,0,0,0,0|4,0,0]=4 378 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [0,0,0,0,0,0|4,0,0]=4 379 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [0,0,0,0,0,0|4,0,0]=4 380 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,0,0,0,0,0|4,0,0]=4 381 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,0,0,0,0,0|4,0,0]=4 382 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [0,0,0,0,0,0|3,1,0]=4 383 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [0,0,0,0,0,0|3,1,0]=4 384 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [0,0,0,0,0,0|4,0,0]=4 385 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [0,0,0,0,0,0|4,0,0]=4 386 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [0,0,0,0,0,0|4,0,0]=4 387 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [0,0,0,0,0,0|4,0,0]=4 388 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,0,0,0,0,0|3,0,0]=3 389 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,0,0,0,0,0|3,0,0]=3 390 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,0,0,0,0,0|3,1,0]=4 391 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,0,0,0,0,0|3,1,0]=4 392 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,0,0,0,0,0|1,1,0]=2 393 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,0,0,0,0,0|1,1,0]=2 394 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,0,0,0,0,0|3,0,0]=3 395 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,0,0,0,0,0|3,0,0]=3 396 B10R1.21 CSCCCn1cccn1 62a_100000739983_200000210301 [0,0,0,0,0,0|3,0,0]=3 397 B10R1.21 CSCCCn1cccn1 62a_200000210301_100000739983 [0,0,0,0,0,0|3,0,0]=3 398 B10R1.21 CSCCCn1ccnc1 62a_100000756272_200000210301 [0,0,0,0,0,0|4,0,0]=4 399 B10R1.21 CSCCCn1ccnc1 62a_200000210301_100000756272 [0,0,0,0,0,0|4,0,0]=4 400 B10R1.21 CSCCCn1cncn1 62a_100102700105_200000210301 [0,0,0,0,0,0|4,0,0]=4 401 B10R1.21 CSCCCn1cncn1 62a_200000210301_100102700105 [0,0,0,0,0,0|4,0,0]=4 402 B10R1.21 CSCCOc1ccsc1 34a_100000106738_100000212216 [0,0,0,0,0,0|4,0,0]=4 403 B10R1.21 CSCCOc1ccsc1 7a_100000106738_100000212216 [0,0,0,0,0,0|4,0,0]=4 404 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [0,0,0,0,0,0|4,0,0]=4 405 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [0,0,0,0,0,0|4,0,0]=4 406 B10R1.21 CSCCSc1cc[nH]n1 62a_100000062575_100000751147 [0,0,0,0,0,0|4,0,0]=4 407 B10R1.21 CSCCSc1cc[nH]n1 62a_100000212216_100000062575 [0,0,0,0,0,0|4,0,0]=4 408 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,0,0,0,0,0|2,0,0]=2 409 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,0,0,0,0,0|2,0,0]=2 410 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,0,0,0,0,0|2,1,0]=3 411 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,0,0,0,0,0|2,1,0]=3 412 B10R1.21 CSCCSc1ccoc1 62a_100000212216_100011215275 [0,0,0,0,0,0|4,0,0]=4 413 B10R1.21 CSCCSc1ccoc1 62a_100011215275_100000751147 [0,0,0,0,0,0|4,0,0]=4 414 B10R1.21 CSCCSc1ccon1 62a_100000212216_100009818083 [0,0,0,0,0,0|4,0,0]=4 415 B10R1.21 CSCCSc1ccon1 62a_100009818083_100000751147 [0,0,0,0,0,0|4,0,0]=4 416 B10R1.21 CSCCSc1ccsc1 62a_100000212216_100000738268 [0,0,0,0,0,0|4,0,0]=4 417 B10R1.21 CSCCSc1ccsc1 62a_100000738268_100000751147 [0,0,0,0,0,0|4,0,0]=4 418 B10R1.21 CSCCSc1ccsn1 62a_100000212216_100009818082 [0,0,0,0,0,0|4,0,0]=4 419 B10R1.21 CSCCSc1ccsn1 62a_100009818082_100000751147 [0,0,0,0,0,0|4,0,0]=4 420 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [0,0,0,0,0,0|3,0,0]=3 421 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [0,0,0,0,0,0|3,0,0]=3 422 B10R1.21 CSCCSc1cncs1 62a_100000212216_100011934649 [0,0,0,0,0,0|3,1,0]=4 423 B10R1.21 CSCCSc1cncs1 62a_100011934649_100000751147 [0,0,0,0,0,0|3,1,0]=4 424 B10R1.21 CSCCSc1cscn1 62a_100000212216_100000751502 [0,0,0,0,0,0|4,0,0]=4 425 B10R1.21 CSCCSc1cscn1 62a_100000751502_100000751147 [0,0,0,0,0,0|4,0,0]=4 426 B10R1.21 CSCCSc1ncc[nH]1 62a_100000212216_100025796157 [0,0,0,0,0,0|4,0,0]=4 427 B10R1.21 CSCCSc1ncc[nH]1 62a_100025796157_100000751147 [0,0,0,0,0,0|4,0,0]=4 428 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [0,0,0,0,0,0|3,0,0]=3 429 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [0,0,0,0,0,0|3,0,0]=3 430 B10R1.21 CSCCSc1nccs1 62a_100000211983_100000751147 [0,0,0,0,0,0|3,1,0]=4 431 B10R1.21 CSCCSc1nccs1 62a_100000212216_100000211983 [0,0,0,0,0,0|3,1,0]=4 432 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,0,0,0,0,0|2,0,0]=2 433 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,0,0,0,0,0|2,0,0]=2 434 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,0,0,0,0,0|2,1,0]=3 435 B10R1.21 CSCNCc1ccoc1 2230a_100015206860_100011218213 [0,0,0,0,0,0|4,0,0]=4 436 B10R1.21 CSCNCc1ccoc1 34a_100015206860_100011218213 [0,0,0,0,0,0|4,0,0]=4 437 B10R1.21 CSCNCc1ccsc1 2230a_100000186416_100011218213 [0,0,0,0,0,0|4,0,0]=4 438 B10R1.21 CSCNCc1ccsc1 34a_100000186416_100011218213 [0,0,0,0,0,0|4,0,0]=4 439 B10R1.21 CSCNCc1cncs1 2230a_100016987365_100011218213 [0,0,0,0,0,0|3,1,0]=4 440 B10R1.21 CSCNCc1cscn1 2230a_100015185402_100011218213 [0,0,0,0,0,0|4,0,0]=4 441 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [0,0,0,0,0,0|3,0,0]=3 442 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,0,0,0,0,0|3,1,0]=4 443 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,0,0,0,0,0|2,0,0]=2 444 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,0,0,0,0,0|2,1,0]=3 445 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [0,0,0,0,0,0|3,0,0]=3 446 B10R1.21 CSCOCc1ccoc1 34a_100011215357_100011218213 [0,0,0,0,0,0|4,0,0]=4 447 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [0,0,0,0,0,0|4,0,0]=4 448 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [0,0,0,0,0,0|3,0,0]=3 449 B10R1.21 CSCOCn1cccn1 34a_100000731028_100011218213 [0,0,0,0,0,0|4,0,0]=4 450 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [0,0,0,0,0,0|4,0,0]=4 451 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [0,0,0,0,0,0|4,0,0]=4 452 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [0,0,0,0,0,0|4,0,0]=4 453 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [0,0,0,0,0,0|4,0,0]=4 454 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [0,0,0,0,0,0|4,0,0]=4 455 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [0,0,0,0,0,0|4,0,0]=4 456 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [0,0,0,0,0,0|4,0,0]=4 457 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [0,0,0,0,0,0|4,0,0]=4 458 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [0,0,0,0,0,0|3,1,0]=4 459 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [0,0,0,0,0,0|3,1,0]=4 460 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [0,0,0,0,0,0|4,0,0]=4 461 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [0,0,0,0,0,0|4,0,0]=4 462 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [0,0,0,0,0,0|4,0,0]=4 463 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [0,0,0,0,0,0|4,0,0]=4 464 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,0,0,0,0,0|3,0,0]=3 465 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,0,0,0,0,0|3,0,0]=3 466 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,0,0,0,0,0|3,1,0]=4 467 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,0,0,0,0,0|3,1,0]=4 468 B10R1.21 FCCCCN1CC=CC1 269982a_100015195280_100000729493 [0,0,0,0,0,0|3,0,1]=4 469 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [0,0,0,0,0,0|4,0,0]=4 470 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [0,0,0,0,0,0|4,0,0]=4 471 B10R1.21 FCCCSc1c[nH]cn1 62a_100000756875_100011934791 [0,0,0,0,0,0|4,0,0]=4 472 B10R1.21 FCCCSc1c[nH]cn1 62a_100011934791_100000756875 [0,0,0,0,0,0|4,0,0]=4 473 B10R1.21 FCCCSc1cc[nH]n1 62a_100000062575_100011934791 [0,0,0,0,0,0|4,0,0]=4 474 B10R1.21 FCCCSc1cc[nH]n1 62a_100011934791_100000062575 [0,0,0,0,0,0|4,0,0]=4 475 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,0,0,0,0,0|2,0,0]=2 476 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,0,0,0,0,0|2,0,0]=2 477 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,0,0,0,0,0|2,1,0]=3 478 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,0,0,0,0,0|2,1,0]=3 479 B10R1.21 FCCCSc1ccoc1 62a_100011215275_100011934791 [0,0,0,0,0,0|4,0,0]=4 480 B10R1.21 FCCCSc1ccoc1 62a_100011934791_100011215275 [0,0,0,0,0,0|4,0,0]=4 481 B10R1.21 FCCCSc1ccon1 62a_100009818083_100011934791 [0,0,0,0,0,0|4,0,0]=4 482 B10R1.21 FCCCSc1ccon1 62a_100011934791_100009818083 [0,0,0,0,0,0|4,0,0]=4 483 B10R1.21 FCCCSc1ccsc1 62a_100000738268_100011934791 [0,0,0,0,0,0|4,0,0]=4 484 B10R1.21 FCCCSc1ccsc1 62a_100011934791_100000738268 [0,0,0,0,0,0|4,0,0]=4 485 B10R1.21 FCCCSc1ccsn1 62a_100009818082_100011934791 [0,0,0,0,0,0|4,0,0]=4 486 B10R1.21 FCCCSc1ccsn1 62a_100011934791_100009818082 [0,0,0,0,0,0|4,0,0]=4 487 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [0,0,0,0,0,0|3,0,0]=3 488 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [0,0,0,0,0,0|3,0,0]=3 489 B10R1.21 FCCCSc1cncs1 62a_100011934649_100011934791 [0,0,0,0,0,0|3,1,0]=4 490 B10R1.21 FCCCSc1cncs1 62a_100011934791_100011934649 [0,0,0,0,0,0|3,1,0]=4 491 B10R1.21 FCCCSc1cscn1 62a_100000751502_100011934791 [0,0,0,0,0,0|4,0,0]=4 492 B10R1.21 FCCCSc1cscn1 62a_100011934791_100000751502 [0,0,0,0,0,0|4,0,0]=4 493 B10R1.21 FCCCSc1ncc[nH]1 62a_100011934791_100025796157 [0,0,0,0,0,0|4,0,0]=4 494 B10R1.21 FCCCSc1ncc[nH]1 62a_100025796157_100011934791 [0,0,0,0,0,0|4,0,0]=4 495 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [0,0,0,0,0,0|3,0,0]=3 496 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [0,0,0,0,0,0|3,0,0]=3 497 B10R1.21 FCCCSc1nccs1 62a_100000211983_100011934791 [0,0,0,0,0,0|3,1,0]=4 498 B10R1.21 FCCCSc1nccs1 62a_100011934791_100000211983 [0,0,0,0,0,0|3,1,0]=4 499 B10R1.21 FCCNCc1c[nH]cn1 34a_100000724931_100000707719 [0,0,0,0,0,0|4,0,0]=4 500 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,0,0,0,0,0|2,0,0]=2 501 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,0,0,0,0,0|2,0,0]=2 502 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,0,0,0,0,0|2,1,0]=3 503 B10R1.21 FCCNCc1ccn[nH]1 34a_100000724931_100000728653 [0,0,0,0,0,0|4,0,0]=4 504 B10R1.21 FCCNCc1ccoc1 2230a_100015206860_100011217306 [0,0,0,0,0,0|4,0,0]=4 505 B10R1.21 FCCNCc1ccoc1 34a_100015206860_100011217306 [0,0,0,0,0,0|4,0,0]=4 506 B10R1.21 FCCNCc1ccon1 34a_100000724931_100000234950 [0,0,0,0,0,0|4,0,0]=4 507 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [0,0,0,0,0,0|4,0,0]=4 508 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [0,0,0,0,0,0|4,0,0]=4 509 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [0,0,0,0,0,0|4,0,0]=4 510 B10R1.21 FCCNCc1cncs1 2230a_100016987365_100011217306 [0,0,0,0,0,0|3,1,0]=4 511 B10R1.21 FCCNCc1cncs1 34a_100000724931_100015185245 [0,0,0,0,0,0|3,1,0]=4 512 B10R1.21 FCCNCc1cscn1 2230a_100015185402_100011217306 [0,0,0,0,0,0|4,0,0]=4 513 B10R1.21 FCCNCc1cscn1 34a_100000724931_100000205941 [0,0,0,0,0,0|4,0,0]=4 514 B10R1.21 FCCNCc1ncc[nH]1 34a_100000724931_100016991755 [0,0,0,0,0,0|4,0,0]=4 515 B10R1.21 FCCNCc1ncco1 2230a_100016994969_100011217306 [0,0,0,0,0,0|3,0,0]=3 516 B10R1.21 FCCNCc1ncco1 34a_100000724931_103436540062 [0,0,0,0,0,0|3,0,0]=3 517 B10R1.21 FCCNCc1nccs1 2230a_100000740555_100011217306 [0,0,0,0,0,0|3,1,0]=4 518 B10R1.21 FCCNCc1nccs1 34a_100000724931_100015184050 [0,0,0,0,0,0|3,1,0]=4 519 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,0,0,0,0,0|2,0,0]=2 520 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,0,0,0,0,0|2,1,0]=3 521 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [0,0,0,0,0,0|3,0,0]=3 522 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,0,0,0,0,0|4,0,0]=4 523 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,0,0,0,0,0|4,0,0]=4 524 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [0,0,0,0,0,0|3,0,0]=3 525 B10R1.21 FCCOCn1cccn1 34a_100000731028_100011217306 [0,0,0,0,0,0|4,0,0]=4 526 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [0,0,0,0,0,0|4,0,0]=4 527 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [0,0,0,0,0,0|4,0,0]=4 528 B10R1.21 FCCSCc1ccn[nH]1 62a_100000728653_100011217306 [0,0,0,0,0,0|4,0,0]=4 529 B10R1.21 FCCSCc1ccn[nH]1 62a_100011217306_100000728653 [0,0,0,0,0,0|4,0,0]=4 530 B10R1.21 FCCSCc1ccon1 62a_100000234950_100011217306 [0,0,0,0,0,0|4,0,0]=4 531 B10R1.21 FCCSCc1ccon1 62a_100011217306_100000234950 [0,0,0,0,0,0|4,0,0]=4 532 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,0,0,0,0,0|4,0,0]=4 533 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,0,0,0,0,0|4,0,0]=4 534 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [0,0,0,0,0,0|3,1,0]=4 535 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [0,0,0,0,0,0|3,1,0]=4 536 B10R1.21 FCCSCc1cscn1 62a_100000205941_100011217306 [0,0,0,0,0,0|4,0,0]=4 537 B10R1.21 FCCSCc1cscn1 62a_100011217306_100000205941 [0,0,0,0,0,0|4,0,0]=4 538 B10R1.21 FCCSCc1ncc[nH]1 62a_100011217306_100016991755 [0,0,0,0,0,0|4,0,0]=4 539 B10R1.21 FCCSCc1ncc[nH]1 62a_100016991755_100011217306 [0,0,0,0,0,0|4,0,0]=4 540 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [0,0,0,0,0,0|3,0,0]=3 541 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [0,0,0,0,0,0|3,0,0]=3 542 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [0,0,0,0,0,0|3,1,0]=4 543 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [0,0,0,0,0,0|3,1,0]=4 544 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,0,0,0,0,0|2,0,0]=2 545 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,0,0,0,0,0|2,1,0]=3 546 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,0,0,0,0,0|4,0,0]=4 547 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,0,0,0,0,0|4,0,0]=4 548 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,0,0,0,0,0|2,1,0]=3 549 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,0,0,0,0,0|2,1,0]=3 550 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,0,0,0,0,0|4,0,0]=4 551 B10R1.21 FCOCCc1ncc[nH]1 34a_103549771195_100015361967 [0,0,0,0,0,0|4,0,0]=4 552 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,0,0,0,0,0|4,0,0]=4 553 B10R1.21 FCOCCn1cccn1 34a_100000743371_100015361967 [0,0,0,0,0,0|4,0,0]=4 554 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [0,0,0,0,0,0|4,0,0]=4 555 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [0,0,0,0,0,0|4,0,0]=4 556 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,0,0,0,0,0|2,1,0]=3 557 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,0,0,0,0,0|2,1,0]=3 558 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,0,0,0,0,0|4,0,0]=4 559 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,0,0,0,0,0|4,0,0]=4 560 B10R1.21 FCSCCn1cccn1 62a_100015204718_100015361967 [0,0,0,0,0,0|4,0,0]=4 561 B10R1.21 FCSCCn1cccn1 62a_100015361967_100000685285 [0,0,0,0,0,0|4,0,0]=4 562 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [0,0,0,0,0,0|2,0,1]=3 563 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [0,0,0,0,0,0|2,0,1]=3 564 B10R1.21 N#CCCSc1cccs1 62a_100011215226_100011215356 [0,0,0,0,0,0|2,1,1]=4 565 B10R1.21 N#CCCSc1cccs1 62a_100011215356_100011215226 [0,0,0,0,0,0|2,1,1]=4 566 B10R1.21 N#CCCSc1cnco1 62a_100011215226_100020591547 [0,0,0,0,0,0|3,0,1]=4 567 B10R1.21 N#CCCSc1cnco1 62a_100020591547_100011215226 [0,0,0,0,0,0|3,0,1]=4 568 B10R1.21 N#CCCSc1ncco1 62a_100011215226_100011787736 [0,0,0,0,0,0|3,0,1]=4 569 B10R1.21 N#CCCSc1ncco1 62a_100011787736_100011215226 [0,0,0,0,0,0|3,0,1]=4 570 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [0,0,0,0,0,0|2,0,1]=3 571 B10R1.21 N#CCNCc1cccs1 2230a_100000211653_100011215382 [0,0,0,0,0,0|2,1,1]=4 572 B10R1.21 N#CCNCc1ncco1 2230a_100016994969_100011215382 [0,0,0,0,0,0|3,0,1]=4 573 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [0,0,0,0,0,0|3,0,1]=4 574 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [0,0,0,0,0,0|3,0,1]=4 575 B10R1.21 N#CSCSc1ccco1 62a_100000211825_100009814098 [0,0,0,0,0,0|3,0,1]=4 576 B10R1.21 N#CSCSc1ccco1 62a_100009814098_100000211825 [0,0,0,0,0,0|3,0,1]=4 577 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,0,0,0,0,0|4,0,0]=4 578 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,0,0,0,0,0|4,0,0]=4 579 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,0,0,0,0,0|4,0,0]=4 580 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,0,0,0,0,0|4,0,0]=4 581 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,0,0,0,0,0|3,1,0]=4 582 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,0,0,0,0,0|4,0,0]=4 583 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,0,0,0,0,0|4,0,0]=4 584 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,0,0,0,0,0|3,0,0]=3 585 B10R1.21 NCCOCc1nccs1 34a_100000210304_100015184050 [0,0,0,0,0,0|3,1,0]=4 586 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,0,0,0,0,0|2,0,1]=3 587 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,0,0,0,0,0|2,0,1]=3 588 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,0,0,0,0,0|2,1,1]=4 589 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,0,0,0,0,0|3,0,1]=4 590 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,0,0,0,0,0|2,0,1]=3 591 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,0,0,0,0,0|2,1,1]=4 592 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,0,0,0,0,0|3,0,1]=4 593 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [0,0,0,0,0,0|3,0,1]=4 594 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [0,0,0,0,0,0|3,0,1]=4 595 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [0,0,0,0,0,0|3,0,1]=4 596 B10R1.21 OCCCCN1CC=CC1 269982a_100015195280_100000210776 [0,0,0,0,0,0|3,0,1]=4 597 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [0,0,0,0,0,0|4,0,0]=4 598 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [0,0,0,0,0,0|4,0,0]=4 599 B10R1.21 OCCCSc1c[nH]cn1 62a_100000756875_100011215043 [0,0,0,0,0,0|4,0,0]=4 600 B10R1.21 OCCCSc1c[nH]cn1 62a_100011215043_100000756875 [0,0,0,0,0,0|4,0,0]=4 601 B10R1.21 OCCCSc1cc[nH]n1 62a_100000062575_100011215043 [0,0,0,0,0,0|4,0,0]=4 602 B10R1.21 OCCCSc1cc[nH]n1 62a_100011215043_100000062575 [0,0,0,0,0,0|4,0,0]=4 603 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,0,0,0,0,0|2,0,0]=2 604 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,0,0,0,0,0|2,0,0]=2 605 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,0,0,0,0,0|2,1,0]=3 606 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,0,0,0,0,0|2,1,0]=3 607 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [0,0,0,0,0,0|4,0,0]=4 608 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [0,0,0,0,0,0|4,0,0]=4 609 B10R1.21 OCCCSc1ccon1 62a_100009818083_100011215043 [0,0,0,0,0,0|4,0,0]=4 610 B10R1.21 OCCCSc1ccon1 62a_100011215043_100009818083 [0,0,0,0,0,0|4,0,0]=4 611 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [0,0,0,0,0,0|4,0,0]=4 612 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [0,0,0,0,0,0|4,0,0]=4 613 B10R1.21 OCCCSc1ccsn1 62a_100009818082_100011215043 [0,0,0,0,0,0|4,0,0]=4 614 B10R1.21 OCCCSc1ccsn1 62a_100011215043_100009818082 [0,0,0,0,0,0|4,0,0]=4 615 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [0,0,0,0,0,0|3,0,0]=3 616 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [0,0,0,0,0,0|3,0,0]=3 617 B10R1.21 OCCCSc1cncs1 62a_100011215043_100011934649 [0,0,0,0,0,0|3,1,0]=4 618 B10R1.21 OCCCSc1cncs1 62a_100011934649_100011215043 [0,0,0,0,0,0|3,1,0]=4 619 B10R1.21 OCCCSc1cscn1 62a_100000751502_100011215043 [0,0,0,0,0,0|4,0,0]=4 620 B10R1.21 OCCCSc1cscn1 62a_100011215043_100000751502 [0,0,0,0,0,0|4,0,0]=4 621 B10R1.21 OCCCSc1ncc[nH]1 62a_100011215043_100025796157 [0,0,0,0,0,0|4,0,0]=4 622 B10R1.21 OCCCSc1ncc[nH]1 62a_100025796157_100011215043 [0,0,0,0,0,0|4,0,0]=4 623 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [0,0,0,0,0,0|3,0,0]=3 624 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [0,0,0,0,0,0|3,0,0]=3 625 B10R1.21 OCCCSc1nccs1 62a_100000211983_100011215043 [0,0,0,0,0,0|3,1,0]=4 626 B10R1.21 OCCCSc1nccs1 62a_100011215043_100000211983 [0,0,0,0,0,0|3,1,0]=4 627 B10R1.21 OCCNCc1c[nH]cn1 2230a_100016997473_100000707719 [0,0,0,0,0,0|4,0,0]=4 628 B10R1.21 OCCNCc1c[nH]cn1 34a_100016990907_100000707719 [0,0,0,0,0,0|4,0,0]=4 629 B10R1.21 OCCNCc1cc[nH]n1 207a_100000210304_100000738523 [0,0,0,0,0,0|4,0,0]=4 630 B10R1.21 OCCNCc1cc[nH]n1 270004a_100000210304_100000738523 [0,0,0,0,0,0|4,0,0]=4 631 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,0,0,0,0,0|2,0,0]=2 632 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,0,0,0,0,0|2,0,0]=2 633 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,0,0,0,0,0|2,0,0]=2 634 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,0,0,0,0,0|2,0,0]=2 635 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,0,0,0,0,0|2,1,0]=3 636 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,0,0,0,0,0|2,1,0]=3 637 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,0,0,0,0,0|2,1,0]=3 638 B10R1.21 OCCNCc1ccn[nH]1 2230a_100016997473_100000728653 [0,0,0,0,0,0|4,0,0]=4 639 B10R1.21 OCCNCc1ccn[nH]1 34a_100016990907_100000728653 [0,0,0,0,0,0|4,0,0]=4 640 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,0,0,0,0,0|4,0,0]=4 641 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,0,0,0,0,0|4,0,0]=4 642 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,0,0,0,0,0|4,0,0]=4 643 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,0,0,0,0,0|4,0,0]=4 644 B10R1.21 OCCNCc1ccon1 2230a_100016997473_100000234950 [0,0,0,0,0,0|4,0,0]=4 645 B10R1.21 OCCNCc1ccon1 34a_100016990907_100000234950 [0,0,0,0,0,0|4,0,0]=4 646 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,0,0,0,0,0|4,0,0]=4 647 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,0,0,0,0,0|4,0,0]=4 648 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,0,0,0,0,0|4,0,0]=4 649 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,0,0,0,0,0|4,0,0]=4 650 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,0,0,0,0,0|4,0,0]=4 651 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,0,0,0,0,0|4,0,0]=4 652 B10R1.21 OCCNCc1cnc[nH]1 207a_100000210304_100000742939 [0,0,0,0,0,0|4,0,0]=4 653 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [0,0,0,0,0,0|3,0,0]=3 654 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [0,0,0,0,0,0|3,1,0]=4 655 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [0,0,0,0,0,0|3,1,0]=4 656 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [0,0,0,0,0,0|3,1,0]=4 657 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [0,0,0,0,0,0|3,1,0]=4 658 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [0,0,0,0,0,0|3,1,0]=4 659 B10R1.21 OCCNCc1cocn1 270004a_100000210304_100000050382 [0,0,0,0,0,0|4,0,0]=4 660 B10R1.21 OCCNCc1cscn1 207a_100000210304_100000743575 [0,0,0,0,0,0|4,0,0]=4 661 B10R1.21 OCCNCc1cscn1 2230a_100015185402_100000211926 [0,0,0,0,0,0|4,0,0]=4 662 B10R1.21 OCCNCc1cscn1 2230a_100016997473_100000205941 [0,0,0,0,0,0|4,0,0]=4 663 B10R1.21 OCCNCc1cscn1 270004a_100000210304_100000743575 [0,0,0,0,0,0|4,0,0]=4 664 B10R1.21 OCCNCc1cscn1 34a_100016990907_100000205941 [0,0,0,0,0,0|4,0,0]=4 665 B10R1.21 OCCNCc1ncc[nH]1 207a_100000210304_100000743867 [0,0,0,0,0,0|4,0,0]=4 666 B10R1.21 OCCNCc1ncc[nH]1 2230a_100016997473_100016991755 [0,0,0,0,0,0|4,0,0]=4 667 B10R1.21 OCCNCc1ncc[nH]1 34a_100016990907_100016991755 [0,0,0,0,0,0|4,0,0]=4 668 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [0,0,0,0,0,0|3,0,0]=3 669 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [0,0,0,0,0,0|3,0,0]=3 670 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [0,0,0,0,0,0|3,0,0]=3 671 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [0,0,0,0,0,0|3,0,0]=3 672 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [0,0,0,0,0,0|3,1,0]=4 673 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [0,0,0,0,0,0|3,1,0]=4 674 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [0,0,0,0,0,0|3,1,0]=4 675 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [0,0,0,0,0,0|3,1,0]=4 676 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [0,0,0,0,0,0|3,1,0]=4 677 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,0,0,0,0,0|2,0,0]=2 678 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,0,0,0,0,0|2,1,0]=3 679 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,0,0,0,0,0|3,0,0]=3 680 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,0,0,0,0,0|4,0,0]=4 681 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,0,0,0,0,0|4,0,0]=4 682 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,0,0,0,0,0|3,0,0]=3 683 B10R1.21 OCCOCn1cccn1 34a_100000731028_100000211926 [0,0,0,0,0,0|4,0,0]=4 684 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [0,0,0,0,0,0|4,0,0]=4 685 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [0,0,0,0,0,0|4,0,0]=4 686 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [0,0,0,0,0,0|4,0,0]=4 687 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [0,0,0,0,0,0|4,0,0]=4 688 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [0,0,0,0,0,0|4,0,0]=4 689 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [0,0,0,0,0,0|4,0,0]=4 690 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,0,0,0,0,0|4,0,0]=4 691 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,0,0,0,0,0|4,0,0]=4 692 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,0,0,0,0,0|3,1,0]=4 693 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,0,0,0,0,0|3,1,0]=4 694 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [0,0,0,0,0,0|4,0,0]=4 695 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [0,0,0,0,0,0|4,0,0]=4 696 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [0,0,0,0,0,0|4,0,0]=4 697 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [0,0,0,0,0,0|4,0,0]=4 698 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,0,0,0,0,0|3,0,0]=3 699 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,0,0,0,0,0|3,0,0]=3 700 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,0,0,0,0,0|3,1,0]=4 701 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,0,0,0,0,0|3,1,0]=4 702 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,0,0,0,0,0|1,1,0]=2 703 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,0,0,0,0,0|1,1,0]=2 704 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,0,0,0,0,0|3,0,0]=3 705 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,0,0,0,0,0|3,0,0]=3 706 B10R1.21 [13CH3]OCCCc1cnoc1 34a_100011738005_200025704644 [0,0,0,0,0,0|4,0,0]=4 707 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,0,0,0,0,0|3,0,0]=3 708 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,0,0,0,0,0|3,0,0]=3 709 B10R1.21 [13CH3]OCCCn1cccn1 34a_100000753614_200025704644 [0,0,0,0,0,0|3,0,0]=3 710 B10R1.21 [13CH3]OCCCn1ccnc1 34a_100000240236_200025704644 [0,0,0,0,0,0|4,0,0]=4 711 B10R1.21 [13CH3]OCCCn1cncn1 34a_100011305697_200025704644 [0,0,0,0,0,0|4,0,0]=4 712 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,0,0,0,0,0|1,1,0]=2 713 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,0,0,0,0,0|1,1,0]=2 714 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,0,0,0,0,0|3,0,0]=3 715 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,0,0,0,0,0|3,0,0]=3 716 B10R1.21 [13CH3]SCCCn1cccn1 62a_100000739983_200025704644 [0,0,0,0,0,0|3,0,0]=3 717 B10R1.21 [13CH3]SCCCn1cccn1 62a_200025704644_100000739983 [0,0,0,0,0,0|3,0,0]=3 718 B10R1.21 [13CH3]SCCCn1ccnc1 62a_100000756272_200025704644 [0,0,0,0,0,0|4,0,0]=4 719 B10R1.21 [13CH3]SCCCn1ccnc1 62a_200025704644_100000756272 [0,0,0,0,0,0|4,0,0]=4 720 B10R1.21 [13CH3]SCCCn1cncn1 62a_100102700105_200025704644 [0,0,0,0,0,0|4,0,0]=4 721 B10R1.21 [13CH3]SCCCn1cncn1 62a_200025704644_100102700105 [0,0,0,0,0,0|4,0,0]=4 722 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [1,0,0,0,0,0|1,0,2]=4 723 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,0,0,0,0,0|1,0,2]=4 724 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,0,0,0,0,0|1,0,2]=4 725 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [1,0,0,0,0,0|2,0,1]=4 726 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,0,0|2,0,0]=3 727 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,0,0|2,0,0]=3 728 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|0,0,0]=1 729 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,0,0|0,1,0]=2 730 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,0,0|2,0,0]=3 731 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,0,0|2,0,0]=3 732 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,0,0|2,0,0]=3 733 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [1,0,0,0,0,0|3,0,0]=4 734 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,0,0|1,0,0]=2 735 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,0,0|1,1,0]=3 736 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [1,0,0,0,0,0|3,0,0]=4 737 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [1,0,0,0,0,0|3,0,0]=4 738 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,0,0|2,0,0]=3 739 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [1,0,0,0,0,0|3,0,0]=4 740 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,0,0|2,0,0]=3 741 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,0,0|1,0,0]=2 742 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,0,0|1,1,0]=3 743 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [1,0,0,0,0,0|2,1,0]=4 744 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [1,0,0,0,0,0|2,1,0]=4 745 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [1,0,0,0,0,0|3,0,0]=4 746 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [1,0,0,0,0,0|3,0,0]=4 747 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [1,0,0,0,0,0|3,0,0]=4 748 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [1,0,0,0,0,0|3,0,0]=4 749 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [1,0,0,0,0,0|3,0,0]=4 750 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [1,0,0,0,0,0|3,0,0]=4 751 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,0,0|1,0,0]=2 752 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,0,0|1,0,0]=2 753 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,0,0|1,1,0]=3 754 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,0,0|1,1,0]=3 755 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [1,0,0,0,0,0|3,0,0]=4 756 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [1,0,0,0,0,0|3,0,0]=4 757 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [1,0,0,0,0,0|3,0,0]=4 758 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [1,0,0,0,0,0|3,0,0]=4 759 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [1,0,0,0,0,0|3,0,0]=4 760 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [1,0,0,0,0,0|3,0,0]=4 761 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [1,0,0,0,0,0|3,0,0]=4 762 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [1,0,0,0,0,0|3,0,0]=4 763 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [1,0,0,0,0,0|2,0,0]=3 764 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [1,0,0,0,0,0|2,0,0]=3 765 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [1,0,0,0,0,0|2,1,0]=4 766 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [1,0,0,0,0,0|2,1,0]=4 767 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [1,0,0,0,0,0|3,0,0]=4 768 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [1,0,0,0,0,0|3,0,0]=4 769 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [1,0,0,0,0,0|3,0,0]=4 770 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [1,0,0,0,0,0|3,0,0]=4 771 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,0,0,0,0,0|2,0,0]=3 772 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,0,0,0,0,0|2,0,0]=3 773 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [1,0,0,0,0,0|2,1,0]=4 774 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [1,0,0,0,0,0|2,1,0]=4 775 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [1,0,0,0,0,0|3,0,0]=4 776 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [1,0,0,0,0,0|3,0,0]=4 777 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [1,0,0,0,0,0|3,0,0]=4 778 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,0,0|1,0,0]=2 779 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,0,0|1,0,0]=2 780 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,0,0|1,0,0]=2 781 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,0,0|1,0,0]=2 782 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,0,0|1,1,0]=3 783 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,0,0|1,1,0]=3 784 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,0,0|1,1,0]=3 785 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [1,0,0,0,0,0|3,0,0]=4 786 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [1,0,0,0,0,0|3,0,0]=4 787 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [1,0,0,0,0,0|3,0,0]=4 788 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [1,0,0,0,0,0|3,0,0]=4 789 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [1,0,0,0,0,0|3,0,0]=4 790 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [1,0,0,0,0,0|3,0,0]=4 791 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [1,0,0,0,0,0|3,0,0]=4 792 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [1,0,0,0,0,0|3,0,0]=4 793 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [1,0,0,0,0,0|3,0,0]=4 794 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [1,0,0,0,0,0|3,0,0]=4 795 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [1,0,0,0,0,0|3,0,0]=4 796 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [1,0,0,0,0,0|3,0,0]=4 797 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,0,0,0,0,0|2,0,0]=3 798 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [1,0,0,0,0,0|2,1,0]=4 799 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [1,0,0,0,0,0|2,1,0]=4 800 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [1,0,0,0,0,0|2,1,0]=4 801 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [1,0,0,0,0,0|2,1,0]=4 802 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [1,0,0,0,0,0|3,0,0]=4 803 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [1,0,0,0,0,0|3,0,0]=4 804 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [1,0,0,0,0,0|3,0,0]=4 805 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [1,0,0,0,0,0|3,0,0]=4 806 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [1,0,0,0,0,0|3,0,0]=4 807 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [1,0,0,0,0,0|3,0,0]=4 808 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [1,0,0,0,0,0|3,0,0]=4 809 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,0,0,0,0,0|2,0,0]=3 810 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,0,0,0,0,0|2,0,0]=3 811 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,0,0,0,0,0|2,0,0]=3 812 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [1,0,0,0,0,0|2,1,0]=4 813 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [1,0,0,0,0,0|2,1,0]=4 814 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [1,0,0,0,0,0|2,1,0]=4 815 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [1,0,0,0,0,0|2,1,0]=4 816 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [1,0,0,0,0,0|3,0,0]=4 817 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,0,0|1,0,0]=2 818 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,0,0|1,1,0]=3 819 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [1,0,0,0,0,0|3,0,0]=4 820 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [1,0,0,0,0,0|2,0,0]=3 821 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,0,0|3,0,0]=4 822 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [1,0,0,0,0,0|3,0,0]=4 823 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,0,0|3,0,0]=4 824 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,0,0|3,0,0]=4 825 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [1,0,0,0,0,0|2,1,0]=4 826 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [1,0,0,0,0,0|3,0,0]=4 827 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,0,0,0,0,0|3,0,0]=4 828 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,0,0,0,0,0|2,0,0]=3 829 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,0,0,0,0,0|2,0,0]=3 830 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [1,0,0,0,0,0|2,1,0]=4 831 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [1,0,0,0,0,0|3,0,0]=4 832 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [1,0,0,0,0,0|3,0,0]=4 833 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [1,0,0,0,0,0|3,0,0]=4 834 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [1,0,0,0,0,0|3,0,0]=4 835 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [1,0,0,0,0,0|3,0,0]=4 836 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [1,0,0,0,0,0|3,0,0]=4 837 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [1,0,0,0,0,0|3,0,0]=4 838 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [1,0,0,0,0,0|3,0,0]=4 839 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [1,0,0,0,0,0|3,0,0]=4 840 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [1,0,0,0,0,0|2,1,0]=4 841 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [1,0,0,0,0,0|2,1,0]=4 842 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [1,0,0,0,0,0|3,0,0]=4 843 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [1,0,0,0,0,0|3,0,0]=4 844 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [1,0,0,0,0,0|3,0,0]=4 845 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [1,0,0,0,0,0|3,0,0]=4 846 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,0,0,0,0,0|2,0,0]=3 847 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,0,0,0,0,0|2,0,0]=3 848 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [1,0,0,0,0,0|2,1,0]=4 849 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [1,0,0,0,0,0|2,1,0]=4 850 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,0,0|3,0,0]=4 851 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,0,0|3,0,0]=4 852 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,0,0|1,0,0]=2 853 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,0,0|1,0,0]=2 854 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,0,0|1,1,0]=3 855 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,0,0|1,1,0]=3 856 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,0,0|1,1,0]=3 857 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,0,0|1,1,0]=3 858 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,0,0|1,1,0]=3 859 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,0,0|3,0,0]=4 860 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,0,0|3,0,0]=4 861 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,0,0,0,0,0|2,1,0]=4 862 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,0,0,0,0,0|2,1,0]=4 863 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,0,0|3,0,0]=4 864 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,0,0|3,0,0]=4 865 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,0,0|3,0,0]=4 866 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,0,0,0,0,0|3,0,0]=4 867 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,0,0,0,0,0|3,0,0]=4 868 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,0,0,0,0,0|3,0,0]=4 869 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,0,0,0,0,0|3,0,0]=4 870 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,0,0|1,1,0]=3 871 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,0,0|1,1,0]=3 872 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,0,0|1,1,0]=3 873 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,0,0|3,0,0]=4 874 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [1,0,0,0,0,0|3,0,0]=4 875 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,0,0|3,0,0]=4 876 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [1,0,0,0,0,0|3,0,0]=4 877 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [1,0,0,0,0,0|3,0,0]=4 878 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,0,0,0,0,0|2,0,0]=3 879 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,0,0,0,0,0|2,0,0]=3 880 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,0,0,0,0,0|2,1,0]=4 881 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,0,0,0,0,0|2,1,0]=4 882 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [1,0,0,0,0,0|3,0,0]=4 883 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [1,0,0,0,0,0|3,0,0]=4 884 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [1,0,0,0,0,0|3,0,0]=4 885 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [1,0,0,0,0,0|3,0,0]=4 886 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [1,0,0,0,0,0|3,0,0]=4 887 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [1,0,0,0,0,0|3,0,0]=4 888 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,0,0|1,1,0]=3 889 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,0,0|1,1,0]=3 890 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,0,0|3,0,0]=4 891 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,0,0|3,0,0]=4 892 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [1,0,0,0,0,0|3,0,0]=4 893 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [1,0,0,0,0,0|3,0,0]=4 894 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,0,0,0,0,0|2,0,0]=3 895 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,0,0,0,0,0|2,0,0]=3 896 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,0,0,0,0,0|2,1,0]=4 897 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,0,0,0,0,0|2,1,0]=4 898 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [1,0,0,0,0,0|3,0,0]=4 899 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [1,0,0,0,0,0|3,0,0]=4 900 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,0,0,0,0,0|3,0,0]=4 901 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,0,0,0,0,0|3,0,0]=4 902 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,0,0,0,0,0|2,0,0]=3 903 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,0,0,0,0,0|2,0,0]=3 904 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [1,0,0,0,0,0|2,1,0]=4 905 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [1,0,0,0,0,0|2,1,0]=4 906 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [1,0,0,0,0,0|3,0,0]=4 907 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [1,0,0,0,0,0|3,0,0]=4 908 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [1,0,0,0,0,0|3,0,0]=4 909 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [1,0,0,0,0,0|3,0,0]=4 910 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,0,0,0,0,0|2,0,0]=3 911 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,0,0,0,0,0|2,0,0]=3 912 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [1,0,0,0,0,0|2,1,0]=4 913 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [1,0,0,0,0,0|3,0,0]=4 914 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [1,0,0,0,0,0|3,0,0]=4 915 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [1,0,0,0,0,0|3,0,0]=4 916 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [1,0,0,0,0,0|3,0,0]=4 917 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [1,0,0,0,0,0|2,0,1]=4 918 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [1,0,0,0,0,0|2,0,1]=4 919 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|2,0,1]=4 920 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|2,0,1]=4 921 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,0,0|2,0,0]=3 922 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,0,0|2,0,0]=3 923 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,0,0,0,0,0|2,1,0]=4 924 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,0,0,0,0,0|2,1,0]=4 925 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [1,0,0,0,0,0|3,0,0]=4 926 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [1,0,0,0,0,0|3,0,0]=4 927 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [1,0,0,0,0,0|3,0,0]=4 928 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [1,0,0,0,0,0|3,0,0]=4 929 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,0,0|1,0,0]=2 930 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,0,0|1,0,0]=2 931 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,0,0|1,1,0]=3 932 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,0,0|1,1,0]=3 933 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,0,0|3,0,0]=4 934 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,0,0|3,0,0]=4 935 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,0,0,0,0,0|2,1,0]=4 936 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,0,0,0,0,0|2,1,0]=4 937 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,0,0|3,0,0]=4 938 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,0,0,0,0,0|3,0,0]=4 939 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,0,0|1,1,0]=3 940 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,0,0|1,1,0]=3 941 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,0,0|3,0,0]=4 942 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [1,0,0,0,0,0|3,0,0]=4 943 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,0,0|3,0,0]=4 944 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [1,0,0,0,0,0|3,0,0]=4 945 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [1,0,0,0,0,0|3,0,0]=4 946 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [1,0,0,0,0,0|3,0,0]=4 947 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,0,0|1,1,0]=3 948 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,0,0|1,1,0]=3 949 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,0,0|3,0,0]=4 950 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,0,0|3,0,0]=4 951 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [1,0,0,0,0,0|3,0,0]=4 952 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [1,0,0,0,0,0|3,0,0]=4 953 B11R1.4 BrCCCOCc1c[nH]cn1 34a_100011217188_100000707719 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.4 BrCCCOCc1ccn[nH]1 34a_100011217188_100000728653 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.4 BrCCCOCc1ccon1 34a_100011217188_100000234950 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.4 BrCCCOCc1cncs1 34a_100011217188_100015185245 [0,1,0,0,0,0|2,1,0]=4 958 B11R1.4 BrCCCOCc1cscn1 34a_100011217188_100000205941 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.4 BrCCCOCc1ncc[nH]1 34a_100011217188_100016991755 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.4 BrCCCOCc1ncco1 34a_100011217188_103436540062 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.4 BrCCCOCc1nccs1 34a_100011217188_100015184050 [0,1,0,0,0,0|2,1,0]=4 962 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,1,0,0,0,0|1,1,0]=3 963 B11R1.4 BrCCOCCn1cccn1 34a_100000211926_100015204718 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.4 C#CCCCSc1ccco1 62a_100009814098_100011215417 [0,1,0,0,0,0|0,0,2]=3 965 B11R1.4 C#CCCCSc1ccco1 62a_100011215417_100009814098 [0,1,0,0,0,0|0,0,2]=3 966 B11R1.4 C#CCCCSc1cccs1 62a_100011215356_100011215417 [0,1,0,0,0,0|0,1,2]=4 967 B11R1.4 C#CCCCSc1cccs1 62a_100011215417_100011215356 [0,1,0,0,0,0|0,1,2]=4 968 B11R1.4 C#CCCCSc1cnco1 62a_100011215417_100020591547 [0,1,0,0,0,0|1,0,2]=4 969 B11R1.4 C#CCCCSc1cnco1 62a_100020591547_100011215417 [0,1,0,0,0,0|1,0,2]=4 970 B11R1.4 C#CCCCSc1ncco1 62a_100011215417_100011787736 [0,1,0,0,0,0|1,0,2]=4 971 B11R1.4 C#CCCCSc1ncco1 62a_100011787736_100011215417 [0,1,0,0,0,0|1,0,2]=4 972 B11R1.4 C#CCCNCc1ccco1 2230a_100000185738_100000688953 [0,1,0,0,0,0|0,0,2]=3 973 B11R1.4 C#CCCNCc1ccco1 34a_100000185738_100000688953 [0,1,0,0,0,0|0,0,2]=3 974 B11R1.4 C#CCCNCc1cccs1 2230a_100000211653_100000688953 [0,1,0,0,0,0|0,1,2]=4 975 B11R1.4 C#CCCNCc1ncco1 2230a_100016994969_100000688953 [0,1,0,0,0,0|1,0,2]=4 976 B11R1.4 C#CCCNCc1ncco1 34a_100000755551_103436540062 [0,1,0,0,0,0|1,0,2]=4 977 B11R1.4 C#CCCOCc1ccco1 34a_100000210059_100000688953 [0,1,0,0,0,0|0,0,2]=3 978 B11R1.4 C#CCCOCc1cccs1 34a_100000211240_100000688953 [0,1,0,0,0,0|0,1,2]=4 979 B11R1.4 C#CCCOCc1ccno1 34a_100000740478_100000688953 [0,1,0,0,0,0|1,0,2]=4 980 B11R1.4 C#CCCOCc1ncco1 34a_100000062594_100000688953 [0,1,0,0,0,0|1,0,2]=4 981 B11R1.4 C#CCCOCc1ncco1 34a_100011215631_103436540062 [0,1,0,0,0,0|1,0,2]=4 982 B11R1.4 C#CCCSCc1ncco1 62a_100000688953_103436540062 [0,1,0,0,0,0|1,0,2]=4 983 B11R1.4 C#CCCSCc1ncco1 62a_103436540062_100000688953 [0,1,0,0,0,0|1,0,2]=4 984 B11R1.4 C#CCNCCc1ccco1 2230a_100000694680_100000038162 [0,1,0,0,0,0|0,0,2]=3 985 B11R1.4 C#CCNCCc1ccco1 34a_100000694680_100000184674 [0,1,0,0,0,0|0,0,2]=3 986 B11R1.4 C#CCNCCc1cccs1 2230a_100000203755_100000038162 [0,1,0,0,0,0|0,1,2]=4 987 B11R1.4 C#CCNCCc1cccs1 34a_100000203755_100000184674 [0,1,0,0,0,0|0,1,2]=4 988 B11R1.4 C#CCNCCc1cccs1 34a_100000212058_100000748579 [0,1,0,0,0,0|0,1,2]=4 989 B11R1.4 C#CCOCCc1cccs1 34a_100000210247_100000748579 [0,1,0,0,0,0|0,1,2]=4 990 B11R1.4 C#CCOCCc1cccs1 34a_100011216825_100000184674 [0,1,0,0,0,0|0,1,2]=4 991 B11R1.4 C#CCOCCc1cccs1 7a_100011216825_100000038162 [0,1,0,0,0,0|0,1,2]=4 992 B11R1.4 C#CCSCCc1cccs1 62a_100000038162_100000748579 [0,1,0,0,0,0|0,1,2]=4 993 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [0,1,0,0,0,0|0,0,2]=3 994 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,1,0,0,0,0|0,0,2]=3 995 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [0,1,0,0,0,0|0,1,2]=4 996 B11R1.4 C/C=C/COCc1ccno1 34a_100000740478_100102629194 [0,1,0,0,0,0|1,0,2]=4 997 B11R1.4 C/C=C/COCc1ncco1 34a_100000062594_100102629194 [0,1,0,0,0,0|1,0,2]=4 998 B11R1.4 C/C=C/COCc1ncco1 34a_100016270725_103436540062 [0,1,0,0,0,0|1,0,2]=4 999 B11R1.4 C/C=C/CSCc1ncco1 62a_100102629194_103436540062 [0,1,0,0,0,0|1,0,2]=4 1000 B11R1.4 C/C=C/CSCc1ncco1 62a_103436540062_100102629194 [0,1,0,0,0,0|1,0,2]=4 1001 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [0,1,0,0,0,0|0,0,2]=3 1002 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [0,1,0,0,0,0|0,0,2]=3 1003 B11R1.4 C=CCCCSc1cccs1 62a_100011215356_100000757094 [0,1,0,0,0,0|0,1,2]=4 1004 B11R1.4 C=CCCCSc1cccs1 62a_100011713584_100011215356 [0,1,0,0,0,0|0,1,2]=4 1005 B11R1.4 C=CCCCSc1cnco1 62a_100011713584_100020591547 [0,1,0,0,0,0|1,0,2]=4 1006 B11R1.4 C=CCCCSc1cnco1 62a_100020591547_100000757094 [0,1,0,0,0,0|1,0,2]=4 1007 B11R1.4 C=CCCCSc1ncco1 62a_100011713584_100011787736 [0,1,0,0,0,0|1,0,2]=4 1008 B11R1.4 C=CCCCSc1ncco1 62a_100011787736_100000757094 [0,1,0,0,0,0|1,0,2]=4 1009 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [0,1,0,0,0,0|0,0,2]=3 1010 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [0,1,0,0,0,0|0,0,2]=3 1011 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [0,1,0,0,0,0|0,0,2]=3 1012 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [0,1,0,0,0,0|0,0,2]=3 1013 B11R1.4 C=CCCNCc1cccs1 207a_100015191253_100000209959 [0,1,0,0,0,0|0,1,2]=4 1014 B11R1.4 C=CCCNCc1cccs1 2230a_100000211653_100000754431 [0,1,0,0,0,0|0,1,2]=4 1015 B11R1.4 C=CCCNCc1cccs1 270004a_100015191253_100000209959 [0,1,0,0,0,0|0,1,2]=4 1016 B11R1.4 C=CCCNCc1cnco1 270004a_100015191253_100000064291 [0,1,0,0,0,0|1,0,2]=4 1017 B11R1.4 C=CCCNCc1ncco1 2230a_100015191253_103436540062 [0,1,0,0,0,0|1,0,2]=4 1018 B11R1.4 C=CCCNCc1ncco1 2230a_100016994969_100000754431 [0,1,0,0,0,0|1,0,2]=4 1019 B11R1.4 C=CCCNCc1ncco1 270004a_100015191253_100000064290 [0,1,0,0,0,0|1,0,2]=4 1020 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [0,1,0,0,0,0|0,0,2]=3 1021 B11R1.4 C=CCCOCc1cccs1 34a_100000211240_100000754431 [0,1,0,0,0,0|0,1,2]=4 1022 B11R1.4 C=CCCOCc1ccno1 34a_100000740478_100000754431 [0,1,0,0,0,0|1,0,2]=4 1023 B11R1.4 C=CCCOCc1ncco1 34a_100000062594_100000754431 [0,1,0,0,0,0|1,0,2]=4 1024 B11R1.4 C=CCCOCc1ncco1 34a_100011205117_103436540062 [0,1,0,0,0,0|1,0,2]=4 1025 B11R1.4 C=CCCSCc1ncco1 62a_100000754431_103436540062 [0,1,0,0,0,0|1,0,2]=4 1026 B11R1.4 C=CCCSCc1ncco1 62a_103436540062_100000754431 [0,1,0,0,0,0|1,0,2]=4 1027 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [0,1,0,0,0,0|0,0,2]=3 1028 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [0,1,0,0,0,0|0,0,2]=3 1029 B11R1.4 C=CCNCCc1cccs1 2230a_100000203755_100000210623 [0,1,0,0,0,0|0,1,2]=4 1030 B11R1.4 C=CCNCCc1cccs1 2230a_100020586998_100000748579 [0,1,0,0,0,0|0,1,2]=4 1031 B11R1.4 C=CCNCCc1cccs1 34a_100000203755_100015514636 [0,1,0,0,0,0|0,1,2]=4 1032 B11R1.4 C=CCOCCc1cccs1 34a_100011216825_100015514636 [0,1,0,0,0,0|0,1,2]=4 1033 B11R1.4 C=CCOCCc1cccs1 34a_200000210373_100000748579 [0,1,0,0,0,0|0,1,2]=4 1034 B11R1.4 C=CCOCCc1cccs1 7a_100011216825_100015514636 [0,1,0,0,0,0|0,1,2]=4 1035 B11R1.4 C=CCSCCc1cccs1 62a_100000210623_100000748579 [0,1,0,0,0,0|0,1,2]=4 1036 B11R1.4 C=CCSCCc1cccs1 62a_100000748579_100000210623 [0,1,0,0,0,0|0,1,2]=4 1037 B11R1.4 C=COCCSc1ccco1 62a_100000039644_100009814098 [0,1,0,0,0,0|1,0,2]=4 1038 B11R1.4 C=COCCSc1ccco1 62a_100009814098_100000039644 [0,1,0,0,0,0|1,0,2]=4 1039 B11R1.4 CC#CCNCc1ccco1 2230a_100000185738_100000748600 [0,1,0,0,0,0|0,0,2]=3 1040 B11R1.4 CC#CCNCc1ccco1 34a_100000185738_100000748600 [0,1,0,0,0,0|0,0,2]=3 1041 B11R1.4 CC#CCNCc1cccs1 2230a_100000211653_100000748600 [0,1,0,0,0,0|0,1,2]=4 1042 B11R1.4 CC#CCNCc1ncco1 2230a_100000685387_103436540062 [0,1,0,0,0,0|1,0,2]=4 1043 B11R1.4 CC#CCNCc1ncco1 2230a_100016994969_100000748600 [0,1,0,0,0,0|1,0,2]=4 1044 B11R1.4 CC#CCNCc1ncco1 34a_100000685387_103436540062 [0,1,0,0,0,0|1,0,2]=4 1045 B11R1.4 CC#CCOCc1ccco1 34a_100000210059_100000748600 [0,1,0,0,0,0|0,0,2]=3 1046 B11R1.4 CC#CCOCc1cccs1 34a_100000211240_100000748600 [0,1,0,0,0,0|0,1,2]=4 1047 B11R1.4 CC#CCOCc1ccno1 34a_100000740478_100000748600 [0,1,0,0,0,0|1,0,2]=4 1048 B11R1.4 CC#CCOCc1ncco1 34a_100000062594_100000748600 [0,1,0,0,0,0|1,0,2]=4 1049 B11R1.4 CC#CCOCc1ncco1 34a_100000761923_103436540062 [0,1,0,0,0,0|1,0,2]=4 1050 B11R1.4 CC#CCSCc1ncco1 62a_100000748600_103436540062 [0,1,0,0,0,0|1,0,2]=4 1051 B11R1.4 CC#CCSCc1ncco1 62a_103436540062_100000748600 [0,1,0,0,0,0|1,0,2]=4 1052 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [0,1,0,0,0,0|0,0,2]=3 1053 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [0,1,0,0,0,0|0,0,2]=3 1054 B11R1.4 CC/C=C\CSc1cccs1 62a_100011215356_100103147603 [0,1,0,0,0,0|0,1,2]=4 1055 B11R1.4 CC/C=C\CSc1cccs1 62a_100103147603_100011215356 [0,1,0,0,0,0|0,1,2]=4 1056 B11R1.4 CC/C=C\CSc1cnco1 62a_100020591547_100103147603 [0,1,0,0,0,0|1,0,2]=4 1057 B11R1.4 CC/C=C\CSc1cnco1 62a_100103147603_100020591547 [0,1,0,0,0,0|1,0,2]=4 1058 B11R1.4 CC/C=C\CSc1ncco1 62a_100011787736_100103147603 [0,1,0,0,0,0|1,0,2]=4 1059 B11R1.4 CC/C=C\CSc1ncco1 62a_100103147603_100011787736 [0,1,0,0,0,0|1,0,2]=4 1060 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [0,1,0,0,0,0|0,0,2]=3 1061 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [0,1,0,0,0,0|0,0,2]=3 1062 B11R1.4 CC=CCNCc1cccs1 2230a_100000211653_100000070051 [0,1,0,0,0,0|0,1,2]=4 1063 B11R1.4 CC=CCNCc1ncco1 2230a_100016994969_100000070051 [0,1,0,0,0,0|1,0,2]=4 1064 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,1,0,0,0,0|0,0,2]=3 1065 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [0,1,0,0,0,0|0,1,2]=4 1066 B11R1.4 CC=CCOCc1ccno1 34a_100000740478_100000070051 [0,1,0,0,0,0|1,0,2]=4 1067 B11R1.4 CC=CCOCc1ncco1 34a_100000062594_100000070051 [0,1,0,0,0,0|1,0,2]=4 1068 B11R1.4 CC=CCSCc1ncco1 62a_100000070051_103436540062 [0,1,0,0,0,0|1,0,2]=4 1069 B11R1.4 CC=CCSCc1ncco1 62a_103436540062_100000070051 [0,1,0,0,0,0|1,0,2]=4 1070 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [0,1,0,0,0,0|0,0,2]=3 1071 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [0,1,0,0,0,0|0,0,2]=3 1072 B11R1.4 CCC#CCSc1cccs1 62a_100009813939_100011215356 [0,1,0,0,0,0|0,1,2]=4 1073 B11R1.4 CCC#CCSc1cccs1 62a_100011215356_100009813939 [0,1,0,0,0,0|0,1,2]=4 1074 B11R1.4 CCC#CCSc1cnco1 62a_100009813939_100020591547 [0,1,0,0,0,0|1,0,2]=4 1075 B11R1.4 CCC#CCSc1cnco1 62a_100020591547_100009813939 [0,1,0,0,0,0|1,0,2]=4 1076 B11R1.4 CCC#CCSc1ncco1 62a_100009813939_100011787736 [0,1,0,0,0,0|1,0,2]=4 1077 B11R1.4 CCC#CCSc1ncco1 62a_100011787736_100009813939 [0,1,0,0,0,0|1,0,2]=4 1078 B11R1.4 CCCCC=Cc1c[nH]cn1 271570a_100016275911_100000756875 [0,1,0,0,0,0|2,0,1]=4 1079 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [0,1,0,0,0,0|2,0,1]=4 1080 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,1,0,0,0,0|0,0,1]=2 1081 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,1,0,0,0,0|0,1,1]=3 1082 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [0,1,0,0,0,0|2,0,1]=4 1085 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [0,1,0,0,0,0|1,0,1]=3 1086 B11R1.4 CCCCC=Cc1cncs1 271570a_100016275911_100011934649 [0,1,0,0,0,0|1,1,1]=4 1087 B11R1.4 CCCCC=Cc1cscn1 271570a_100016275911_100000751502 [0,1,0,0,0,0|2,0,1]=4 1088 B11R1.4 CCCCC=Cc1ncc[nH]1 271570a_100016275911_100025796157 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [0,1,0,0,0,0|1,0,1]=3 1090 B11R1.4 CCCCC=Cc1nccs1 271570a_100016275911_100000211983 [0,1,0,0,0,0|1,1,1]=4 1091 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [0,1,0,0,0,0|1,0,2]=4 1093 B11R1.4 CCCCCNc1ncns1 27a_100000209983_100000693119 [0,1,0,0,0,0|2,1,0]=4 1094 B11R1.4 CCCCCNc1nncs1 27a_100000209983_100000739804 [0,1,0,0,0,0|2,1,0]=4 1095 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,1,0,0,0,0|2,0,0]=3 1096 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,1,0,0,0,0|2,0,0]=3 1097 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.4 CCCCCSc1c[nH]nn1 62a_100000210326_100009819707 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.4 CCCCCSc1c[nH]nn1 62a_100009819707_100000210326 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [0,1,0,0,0,0|2,0,0]=3 1103 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,1,0,0,0,0|0,0,0]=1 1104 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,1,0,0,0,0|0,0,0]=1 1105 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,1,0,0,0,0|0,1,0]=2 1106 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,1,0,0,0,0|0,1,0]=2 1107 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,1,0,0,0,0|2,0,0]=3 1113 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.4 CCCCCSc1cn[nH]c1 62a_100000210326_100000238712 [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.4 CCCCCSc1cn[nH]c1 62a_100000238712_100000210326 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,1,0,0,0,0|1,0,0]=2 1118 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,1,0,0,0,0|1,0,0]=2 1119 B11R1.4 CCCCCSc1cncs1 62a_100000210326_100011934649 [0,1,0,0,0,0|1,1,0]=3 1120 B11R1.4 CCCCCSc1cncs1 62a_100011934649_100000210326 [0,1,0,0,0,0|1,1,0]=3 1121 B11R1.4 CCCCCSc1cnoc1 62a_100000210326_100009815712 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.4 CCCCCSc1cnoc1 62a_100009815712_100000210326 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.4 CCCCCSc1cnsc1 62a_100000210326_100009815736 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.4 CCCCCSc1cnsc1 62a_100009815736_100000210326 [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.4 CCCCCSc1cscn1 62a_100000210326_100000751502 [0,1,0,0,0,0|2,0,0]=3 1126 B11R1.4 CCCCCSc1cscn1 62a_100000751502_100000210326 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.4 CCCCCSc1nc[nH]n1 62a_100000210326_100000761765 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.4 CCCCCSc1nc[nH]n1 62a_100000761765_100000210326 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.4 CCCCCSc1ncc[nH]1 62a_100000210326_100025796157 [0,1,0,0,0,0|2,0,0]=3 1130 B11R1.4 CCCCCSc1ncc[nH]1 62a_100025796157_100000210326 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [0,1,0,0,0,0|1,0,0]=2 1132 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [0,1,0,0,0,0|1,0,0]=2 1133 B11R1.4 CCCCCSc1nccs1 62a_100000210326_100000211983 [0,1,0,0,0,0|1,1,0]=3 1134 B11R1.4 CCCCCSc1nccs1 62a_100000211983_100000210326 [0,1,0,0,0,0|1,1,0]=3 1135 B11R1.4 CCCCCSc1ncns1 62a_100000210326_100000693119 [0,1,0,0,0,0|2,1,0]=4 1136 B11R1.4 CCCCCSc1ncns1 62a_100000693119_100000210326 [0,1,0,0,0,0|2,1,0]=4 1137 B11R1.4 CCCCCSc1nncs1 62a_100000210326_100000739804 [0,1,0,0,0,0|2,1,0]=4 1138 B11R1.4 CCCCCSc1nncs1 62a_100000739804_100000210326 [0,1,0,0,0,0|2,1,0]=4 1139 B11R1.4 CCCCNCc1c[nH]cn1 2230a_100000102301_100000707719 [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.4 CCCCNCc1cc[nH]n1 207a_100000102301_100000738523 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.4 CCCCNCc1cc[nH]n1 270004a_100000102301_100000738523 [0,1,0,0,0,0|2,0,0]=3 1142 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,1,0,0,0,0|0,0,0]=1 1143 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,1,0,0,0,0|0,0,0]=1 1144 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,1,0,0,0,0|0,0,0]=1 1145 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,1,0,0,0,0|0,0,0]=1 1146 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,1,0,0,0,0|0,1,0]=2 1147 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,1,0,0,0,0|0,1,0]=2 1148 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,1,0,0,0,0|0,1,0]=2 1149 B11R1.4 CCCCNCc1ccn[nH]1 2230a_100000102301_100000728653 [0,1,0,0,0,0|2,0,0]=3 1150 B11R1.4 CCCCNCc1ccn[nH]1 7a_106832991798_100000728653 [0,1,0,0,0,0|2,0,0]=3 1151 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [0,1,0,0,0,0|2,0,0]=3 1152 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [0,1,0,0,0,0|2,0,0]=3 1153 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [0,1,0,0,0,0|2,0,0]=3 1154 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [0,1,0,0,0,0|2,0,0]=3 1155 B11R1.4 CCCCNCc1ccon1 2230a_100000102301_100000234950 [0,1,0,0,0,0|2,0,0]=3 1156 B11R1.4 CCCCNCc1ccon1 7a_106832991798_100000234950 [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,1,0,0,0,0|2,0,0]=3 1158 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,1,0,0,0,0|2,0,0]=3 1163 B11R1.4 CCCCNCc1cn[nH]c1 207a_100000102301_100016992096 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.4 CCCCNCc1cn[nH]c1 270004a_100000102301_100016992096 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.4 CCCCNCc1cnc[nH]1 207a_100000102301_100000742939 [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [0,1,0,0,0,0|1,0,0]=2 1167 B11R1.4 CCCCNCc1cncs1 207a_100000102301_100000749870 [0,1,0,0,0,0|1,1,0]=3 1168 B11R1.4 CCCCNCc1cncs1 2230a_100000102301_100015185245 [0,1,0,0,0,0|1,1,0]=3 1169 B11R1.4 CCCCNCc1cncs1 2230a_100016987365_100000210211 [0,1,0,0,0,0|1,1,0]=3 1170 B11R1.4 CCCCNCc1cncs1 270004a_100000102301_100000749870 [0,1,0,0,0,0|1,1,0]=3 1171 B11R1.4 CCCCNCc1cncs1 7a_106832991798_100015185245 [0,1,0,0,0,0|1,1,0]=3 1172 B11R1.4 CCCCNCc1cocn1 270004a_100000102301_100000050382 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.4 CCCCNCc1cscn1 207a_100000102301_100000743575 [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.4 CCCCNCc1cscn1 2230a_100000102301_100000205941 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.4 CCCCNCc1cscn1 2230a_100015185402_100000210211 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.4 CCCCNCc1cscn1 270004a_100000102301_100000743575 [0,1,0,0,0,0|2,0,0]=3 1177 B11R1.4 CCCCNCc1cscn1 7a_106832991798_100000205941 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.4 CCCCNCc1csnn1 270004a_100000102301_100000738508 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.4 CCCCNCc1ncc[nH]1 207a_100000102301_100000743867 [0,1,0,0,0,0|2,0,0]=3 1180 B11R1.4 CCCCNCc1ncc[nH]1 2230a_100000102301_100016991755 [0,1,0,0,0,0|2,0,0]=3 1181 B11R1.4 CCCCNCc1ncc[nH]1 7a_106832991798_100000753453 [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [0,1,0,0,0,0|1,0,0]=2 1183 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [0,1,0,0,0,0|1,0,0]=2 1184 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [0,1,0,0,0,0|1,0,0]=2 1185 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [0,1,0,0,0,0|1,0,0]=2 1186 B11R1.4 CCCCNCc1nccs1 207a_100000102301_100000750902 [0,1,0,0,0,0|1,1,0]=3 1187 B11R1.4 CCCCNCc1nccs1 2230a_100000102301_100015184050 [0,1,0,0,0,0|1,1,0]=3 1188 B11R1.4 CCCCNCc1nccs1 2230a_100000740555_100000210211 [0,1,0,0,0,0|1,1,0]=3 1189 B11R1.4 CCCCNCc1nccs1 270004a_100000102301_100000750902 [0,1,0,0,0,0|1,1,0]=3 1190 B11R1.4 CCCCNCc1nccs1 7a_106832991798_100015184050 [0,1,0,0,0,0|1,1,0]=3 1191 B11R1.4 CCCCNCc1nnc[nH]1 2230a_200015183720_100000210211 [0,1,0,0,0,0|3,0,0]=4 1192 B11R1.4 CCCCNCn1cncn1 2230a_100000102301_200020645497 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.4 CCCCNCn1cncn1 7a_106832991798_200020645497 [0,1,0,0,0,0|3,0,0]=4 1194 B11R1.4 CCCCNN=C1C=CCC1 4a_100025702795_100000239507 [0,1,0,0,0,0|2,0,1]=4 1195 B11R1.4 CCCCNN=C1CC=CC1 4a_100025702795_100000766571 [0,1,0,0,0,0|2,0,1]=4 1196 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [0,1,0,0,0,0|1,0,2]=4 1197 B11R1.4 CCCCOCN1CC=CC1 269982a_100015195280_100011995733 [0,1,0,0,0,0|2,0,1]=4 1198 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [0,1,0,0,0,0|2,0,0]=3 1199 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,1,0,0,0,0|0,0,0]=1 1200 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,1,0,0,0,0|0,1,0]=2 1201 B11R1.4 CCCCOCc1ccn[nH]1 34a_100000210227_100000728653 [0,1,0,0,0,0|2,0,0]=3 1202 B11R1.4 CCCCOCc1ccn[nH]1 7a_100000210227_100000728653 [0,1,0,0,0,0|2,0,0]=3 1203 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,1,0,0,0,0|1,0,0]=2 1204 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,1,0,0,0,0|2,0,0]=3 1205 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [0,1,0,0,0,0|2,0,0]=3 1206 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [0,1,0,0,0,0|2,0,0]=3 1207 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,1,0,0,0,0|2,0,0]=3 1209 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,1,0,0,0,0|2,0,0]=3 1210 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [0,1,0,0,0,0|1,1,0]=3 1211 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [0,1,0,0,0,0|1,1,0]=3 1212 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [0,1,0,0,0,0|2,0,0]=3 1213 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [0,1,0,0,0,0|2,0,0]=3 1214 B11R1.4 CCCCOCc1ncc[nH]1 34a_100000210227_100016991755 [0,1,0,0,0,0|2,0,0]=3 1215 B11R1.4 CCCCOCc1ncc[nH]1 7a_100000210227_100000753453 [0,1,0,0,0,0|2,0,0]=3 1216 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [0,1,0,0,0,0|1,0,0]=2 1217 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [0,1,0,0,0,0|1,0,0]=2 1218 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [0,1,0,0,0,0|1,0,0]=2 1219 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [0,1,0,0,0,0|1,1,0]=3 1220 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [0,1,0,0,0,0|1,1,0]=3 1221 B11R1.4 CCCCOCc1ncon1 34a_100000210227_100000233494 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.4 CCCCOCn1cccn1 34a_100000731028_100000210210 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.4 CCCCOCn1cncn1 34a_100000210227_200020645497 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.4 CCCCOCn1cncn1 7a_100000210227_200020645497 [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000210211_100000707719 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000707719_100000210210 [0,1,0,0,0,0|2,0,0]=3 1227 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000210211_100000728653 [0,1,0,0,0,0|2,0,0]=3 1228 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000728653_100000210210 [0,1,0,0,0,0|2,0,0]=3 1229 B11R1.4 CCCCSCc1ccon1 62a_100000210211_100000234950 [0,1,0,0,0,0|2,0,0]=3 1230 B11R1.4 CCCCSCc1ccon1 62a_100000234950_100000210210 [0,1,0,0,0,0|2,0,0]=3 1231 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.4 CCCCSCc1cncs1 62a_100000210211_100015185245 [0,1,0,0,0,0|1,1,0]=3 1234 B11R1.4 CCCCSCc1cncs1 62a_100015185245_100000210210 [0,1,0,0,0,0|1,1,0]=3 1235 B11R1.4 CCCCSCc1cscn1 62a_100000205941_100000210210 [0,1,0,0,0,0|2,0,0]=3 1236 B11R1.4 CCCCSCc1cscn1 62a_100000210211_100000205941 [0,1,0,0,0,0|2,0,0]=3 1237 B11R1.4 CCCCSCc1ncc[nH]1 62a_100000210211_100016991755 [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.4 CCCCSCc1ncc[nH]1 62a_100016991755_100000210210 [0,1,0,0,0,0|2,0,0]=3 1239 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [0,1,0,0,0,0|1,0,0]=2 1240 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [0,1,0,0,0,0|1,0,0]=2 1241 B11R1.4 CCCCSCc1nccs1 62a_100000210211_100015184050 [0,1,0,0,0,0|1,1,0]=3 1242 B11R1.4 CCCCSCc1nccs1 62a_100015184050_100000210210 [0,1,0,0,0,0|1,1,0]=3 1243 B11R1.4 CCCCSCc1ncon1 62a_100000210211_100000233494 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.4 CCCCSCc1ncon1 62a_100000233494_100000210210 [0,1,0,0,0,0|3,0,0]=4 1245 B11R1.4 CCCCSCn1cncn1 62a_100000210211_200020645497 [0,1,0,0,0,0|3,0,0]=4 1246 B11R1.4 CCCCSCn1cncn1 62a_200020645497_100000210210 [0,1,0,0,0,0|3,0,0]=4 1247 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,1,0,0,0,0|0,0,0]=1 1248 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,1,0,0,0,0|0,0,0]=1 1249 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,1,0,0,0,0|0,1,0]=2 1250 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,1,0,0,0,0|0,1,0]=2 1251 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [0,1,0,0,0,0|2,0,0]=3 1253 B11R1.4 CCCNCCc1cn[nH]c1 2230a_100000732747_100000210303 [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.4 CCCNCCc1cncs1 2230a_100016991637_100000210303 [0,1,0,0,0,0|1,1,0]=3 1255 B11R1.4 CCCNCCc1nccs1 2230a_100015186391_100000210303 [0,1,0,0,0,0|1,1,0]=3 1256 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1257 B11R1.4 CCCNCCn1cccn1 2230a_100011200920_100000210303 [0,1,0,0,0,0|2,0,0]=3 1258 B11R1.4 CCCNCCn1cncn1 2230a_200000738561_100000210303 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.4 CCCNN=Cc1ccc[nH]1 4a_100000740057_100000211237 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [0,1,0,0,0,0|1,0,1]=3 1261 B11R1.4 CCCNN=Cc1cccs1 4a_100000740057_100000209959 [0,1,0,0,0,0|1,1,1]=4 1262 B11R1.4 CCCNN=Cc1cnco1 4a_100000740057_100000064291 [0,1,0,0,0,0|2,0,1]=4 1263 B11R1.4 CCCNN=Cc1ncco1 4a_100000740057_100000064290 [0,1,0,0,0,0|2,0,1]=4 1264 B11R1.4 CCCOCCN1CC=CC1 269982a_100015195280_100011215938 [0,1,0,0,0,0|2,0,1]=4 1265 B11R1.4 CCCOCC[n+]1ccsc1 34a_200000100414_100000210303 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,1,0,0,0,0|0,1,0]=2 1267 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,1,0,0,0,0|0,1,0]=2 1268 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,1,0,0,0,0|0,1,0]=2 1269 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.4 CCCOCCc1cn[nH]c1 34a_100000766553_100000210303 [0,1,0,0,0,0|3,0,0]=4 1271 B11R1.4 CCCOCCc1cnoc1 34a_100000732699_100000210303 [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.4 CCCOCCc1ncc[nH]1 34a_103549771195_100000210303 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.4 CCCOCCn1cccn1 34a_100000210258_100015204718 [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.4 CCCOCCn1cccn1 34a_100000743371_100000210303 [0,1,0,0,0,0|2,0,0]=3 1276 B11R1.4 CCCOCCn1ccnc1 34a_100000719764_100000210303 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.4 CCCOCCn1ccnn1 34a_100000080814_100000210303 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.4 CCCOCCn1cncn1 34a_100000210258_200000749826 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.4 CCCOCCn1cncn1 34a_100000745309_100000210303 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.4 CCCSCCc1c[nH]cn1 62a_100000210303_100020628418 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.4 CCCSCCc1c[nH]cn1 62a_100020628418_100000210303 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,1,0,0,0,0|0,1,0]=2 1283 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,1,0,0,0,0|0,1,0]=2 1284 B11R1.4 CCCSCCc1cn[nH]c1 62a_100000210303_100000743252 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.4 CCCSCCc1cn[nH]c1 62a_100000743252_100000210303 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [0,1,0,0,0,0|2,0,0]=3 1288 B11R1.4 CCCSCCn1cccn1 62a_100000210303_100000685285 [0,1,0,0,0,0|2,0,0]=3 1289 B11R1.4 CCCSCCn1cccn1 62a_100015204718_100000210303 [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.4 CCCSCCn1ccnc1 62a_100000210303_100000702546 [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.4 CCCSCCn1ccnc1 62a_100000702546_100000210303 [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.4 CCCSCCn1cncn1 62a_100000210303_100000731791 [0,1,0,0,0,0|3,0,0]=4 1293 B11R1.4 CCCSCCn1cncn1 62a_100000731791_100000210303 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [0,1,0,0,0,0|0,0,2]=3 1295 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,1,0,0,0,0|0,1,0]=2 1296 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.4 CCNCCCn1cccn1 2230a_100015525214_100000739983 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.4 CCNCCCn1ccnc1 2230a_100015525214_100000756272 [0,1,0,0,0,0|3,0,0]=4 1299 B11R1.4 CCNCCCn1cncn1 2230a_100015525214_100102700105 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.4 CCOCCCN1CC=CC1 269982a_100015195280_100012232248 [0,1,0,0,0,0|2,0,1]=4 1301 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,1,0,0,0,0|0,1,0]=2 1302 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,1,0,0,0,0|0,1,0]=2 1303 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,1,0,0,0,0|0,1,0]=2 1304 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,1,0,0,0,0|2,0,0]=3 1305 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,1,0,0,0,0|2,0,0]=3 1306 B11R1.4 CCOCCCc1cnoc1 34a_100011738005_100000210202 [0,1,0,0,0,0|3,0,0]=4 1307 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [0,1,0,0,0,0|2,0,0]=3 1308 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [0,1,0,0,0,0|2,0,0]=3 1309 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [0,1,0,0,0,0|2,0,0]=3 1310 B11R1.4 CCOCCCn1cccn1 34a_100000753614_100000210202 [0,1,0,0,0,0|2,0,0]=3 1311 B11R1.4 CCOCCCn1ccnc1 34a_100000240236_100000210202 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.4 CCOCCCn1ccnc1 34a_100121572206_100000756272 [0,1,0,0,0,0|3,0,0]=4 1313 B11R1.4 CCOCCCn1cncn1 34a_100011305697_100000210202 [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.4 CCOCCCn1cncn1 34a_100121572206_100102700105 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.4 CCOCCOc1ccsc1 34a_100000106738_100000210147 [0,1,0,0,0,0|3,0,0]=4 1316 B11R1.4 CCOCCOc1ccsc1 7a_100000106738_100011215890 [0,1,0,0,0,0|3,0,0]=4 1317 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000210147_100000756875 [0,1,0,0,0,0|3,0,0]=4 1318 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000756875_100011215890 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000062575_100011215890 [0,1,0,0,0,0|3,0,0]=4 1320 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000210147_100000062575 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [0,1,0,0,0,0|1,0,0]=2 1322 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [0,1,0,0,0,0|1,0,0]=2 1323 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [0,1,0,0,0,0|1,1,0]=3 1324 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [0,1,0,0,0,0|1,1,0]=3 1325 B11R1.4 CCOCCSc1ccoc1 62a_100000210147_100011215275 [0,1,0,0,0,0|3,0,0]=4 1326 B11R1.4 CCOCCSc1ccoc1 62a_100011215275_100011215890 [0,1,0,0,0,0|3,0,0]=4 1327 B11R1.4 CCOCCSc1ccon1 62a_100000210147_100009818083 [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.4 CCOCCSc1ccon1 62a_100009818083_100011215890 [0,1,0,0,0,0|3,0,0]=4 1329 B11R1.4 CCOCCSc1ccsc1 62a_100000210147_100000738268 [0,1,0,0,0,0|3,0,0]=4 1330 B11R1.4 CCOCCSc1ccsc1 62a_100000738268_100011215890 [0,1,0,0,0,0|3,0,0]=4 1331 B11R1.4 CCOCCSc1ccsn1 62a_100000210147_100009818082 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.4 CCOCCSc1ccsn1 62a_100009818082_100011215890 [0,1,0,0,0,0|3,0,0]=4 1333 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [0,1,0,0,0,0|2,0,0]=3 1334 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [0,1,0,0,0,0|2,0,0]=3 1335 B11R1.4 CCOCCSc1cncs1 62a_100000210147_100011934649 [0,1,0,0,0,0|2,1,0]=4 1336 B11R1.4 CCOCCSc1cncs1 62a_100011934649_100011215890 [0,1,0,0,0,0|2,1,0]=4 1337 B11R1.4 CCOCCSc1cscn1 62a_100000210147_100000751502 [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.4 CCOCCSc1cscn1 62a_100000751502_100011215890 [0,1,0,0,0,0|3,0,0]=4 1339 B11R1.4 CCOCCSc1ncc[nH]1 62a_100000210147_100025796157 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.4 CCOCCSc1ncc[nH]1 62a_100025796157_100011215890 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [0,1,0,0,0,0|2,0,0]=3 1342 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [0,1,0,0,0,0|2,0,0]=3 1343 B11R1.4 CCOCCSc1nccs1 62a_100000210147_100000211983 [0,1,0,0,0,0|2,1,0]=4 1344 B11R1.4 CCOCCSc1nccs1 62a_100000211983_100011215890 [0,1,0,0,0,0|2,1,0]=4 1345 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000707719_100000739092 [0,1,0,0,0,0|3,0,0]=4 1346 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000739092_100000707719 [0,1,0,0,0,0|3,0,0]=4 1347 B11R1.4 CCOCSCc1ccn[nH]1 62a_100000728653_100000739092 [0,1,0,0,0,0|3,0,0]=4 1348 B11R1.4 CCOCSCc1ccn[nH]1 62a_100000739092_100000728653 [0,1,0,0,0,0|3,0,0]=4 1349 B11R1.4 CCOCSCc1ccon1 62a_100000234950_100000739092 [0,1,0,0,0,0|3,0,0]=4 1350 B11R1.4 CCOCSCc1ccon1 62a_100000739092_100000234950 [0,1,0,0,0,0|3,0,0]=4 1351 B11R1.4 CCOCSCc1ccsc1 62a_100000739092_100011233845 [0,1,0,0,0,0|3,0,0]=4 1352 B11R1.4 CCOCSCc1ccsc1 62a_100011261437_100000739092 [0,1,0,0,0,0|3,0,0]=4 1353 B11R1.4 CCOCSCc1cncs1 62a_100000739092_100015185245 [0,1,0,0,0,0|2,1,0]=4 1354 B11R1.4 CCOCSCc1cncs1 62a_100015185245_100000739092 [0,1,0,0,0,0|2,1,0]=4 1355 B11R1.4 CCOCSCc1cscn1 62a_100000205941_100000739092 [0,1,0,0,0,0|3,0,0]=4 1356 B11R1.4 CCOCSCc1cscn1 62a_100000739092_100000205941 [0,1,0,0,0,0|3,0,0]=4 1357 B11R1.4 CCOCSCc1ncc[nH]1 62a_100000739092_100016991755 [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.4 CCOCSCc1ncc[nH]1 62a_100016991755_100000739092 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [0,1,0,0,0,0|2,0,0]=3 1360 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [0,1,0,0,0,0|2,0,0]=3 1361 B11R1.4 CCOCSCc1nccs1 62a_100000739092_100015184050 [0,1,0,0,0,0|2,1,0]=4 1362 B11R1.4 CCOCSCc1nccs1 62a_100015184050_100000739092 [0,1,0,0,0,0|2,1,0]=4 1363 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,1,0,0,0,0|0,1,0]=2 1364 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,1,0,0,0,0|0,1,0]=2 1365 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [0,1,0,0,0,0|2,0,0]=3 1366 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.4 CCSCCCn1cccn1 62a_100000210202_100000739983 [0,1,0,0,0,0|2,0,0]=3 1368 B11R1.4 CCSCCCn1cccn1 62a_100000739983_100000210202 [0,1,0,0,0,0|2,0,0]=3 1369 B11R1.4 CCSCCCn1ccnc1 62a_100000210202_100000756272 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.4 CCSCCCn1ccnc1 62a_100000756272_100000210202 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.4 CCSCCCn1cncn1 62a_100000210202_100102700105 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.4 CCSCCCn1cncn1 62a_100102700105_100000210202 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.4 CCSCCOc1ccsc1 34a_100000106738_100000757381 [0,1,0,0,0,0|3,0,0]=4 1374 B11R1.4 CCSCCOc1ccsc1 7a_100000106738_100000757381 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000756875_100000757381 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000757381_100000756875 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.4 CCSCCSc1cc[nH]n1 62a_100000062575_100000757381 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.4 CCSCCSc1cc[nH]n1 62a_100000757381_100000062575 [0,1,0,0,0,0|3,0,0]=4 1379 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,1,0,0,0,0|1,0,0]=2 1380 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,1,0,0,0,0|1,0,0]=2 1381 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [0,1,0,0,0,0|1,1,0]=3 1382 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [0,1,0,0,0,0|1,1,0]=3 1383 B11R1.4 CCSCCSc1ccoc1 62a_100000757381_100011215275 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.4 CCSCCSc1ccoc1 62a_100011215275_100000757381 [0,1,0,0,0,0|3,0,0]=4 1385 B11R1.4 CCSCCSc1ccon1 62a_100000757381_100009818083 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.4 CCSCCSc1ccon1 62a_100009818083_100000757381 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.4 CCSCCSc1ccsc1 62a_100000738268_100000757381 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.4 CCSCCSc1ccsc1 62a_100000757381_100000738268 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.4 CCSCCSc1ccsn1 62a_100000757381_100009818082 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.4 CCSCCSc1ccsn1 62a_100009818082_100000757381 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.4 CCSCCSc1cnco1 62a_100000757381_100020591547 [0,1,0,0,0,0|2,0,0]=3 1392 B11R1.4 CCSCCSc1cnco1 62a_100020591547_100000757381 [0,1,0,0,0,0|2,0,0]=3 1393 B11R1.4 CCSCCSc1cncs1 62a_100000757381_100011934649 [0,1,0,0,0,0|2,1,0]=4 1394 B11R1.4 CCSCCSc1cncs1 62a_100011934649_100000757381 [0,1,0,0,0,0|2,1,0]=4 1395 B11R1.4 CCSCCSc1cscn1 62a_100000751502_100000757381 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.4 CCSCCSc1cscn1 62a_100000757381_100000751502 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.4 CCSCCSc1ncc[nH]1 62a_100000757381_100025796157 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.4 CCSCCSc1ncc[nH]1 62a_100025796157_100000757381 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [0,1,0,0,0,0|2,0,0]=3 1400 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [0,1,0,0,0,0|2,0,0]=3 1401 B11R1.4 CCSCCSc1nccs1 62a_100000211983_100000757381 [0,1,0,0,0,0|2,1,0]=4 1402 B11R1.4 CCSCCSc1nccs1 62a_100000757381_100000211983 [0,1,0,0,0,0|2,1,0]=4 1403 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [0,1,0,0,0,0|1,0,0]=2 1404 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [0,1,0,0,0,0|1,0,0]=2 1405 B11R1.4 COCCCCN1CC=CC1 269982a_100015195280_100000730899 [0,1,0,0,0,0|2,0,1]=4 1406 B11R1.4 COCCCOc1ccsc1 34a_100000106738_100000740836 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.4 COCCCOc1ccsc1 7a_100000106738_100000740836 [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.4 COCCCSc1c[nH]cn1 62a_100000709357_100000756875 [0,1,0,0,0,0|3,0,0]=4 1409 B11R1.4 COCCCSc1c[nH]cn1 62a_100000756875_100000709357 [0,1,0,0,0,0|3,0,0]=4 1410 B11R1.4 COCCCSc1cc[nH]n1 62a_100000062575_100000709357 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.4 COCCCSc1cc[nH]n1 62a_100000709357_100000062575 [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [0,1,0,0,0,0|1,0,0]=2 1413 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [0,1,0,0,0,0|1,0,0]=2 1414 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [0,1,0,0,0,0|1,1,0]=3 1415 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [0,1,0,0,0,0|1,1,0]=3 1416 B11R1.4 COCCCSc1ccoc1 62a_100000709357_100011215275 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.4 COCCCSc1ccoc1 62a_100011215275_100000709357 [0,1,0,0,0,0|3,0,0]=4 1418 B11R1.4 COCCCSc1ccon1 62a_100000709357_100009818083 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.4 COCCCSc1ccon1 62a_100009818083_100000709357 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.4 COCCCSc1ccsc1 62a_100000709357_100000738268 [0,1,0,0,0,0|3,0,0]=4 1421 B11R1.4 COCCCSc1ccsc1 62a_100000738268_100000709357 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.4 COCCCSc1ccsn1 62a_100000709357_100009818082 [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.4 COCCCSc1ccsn1 62a_100009818082_100000709357 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [0,1,0,0,0,0|2,0,0]=3 1425 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [0,1,0,0,0,0|2,0,0]=3 1426 B11R1.4 COCCCSc1cncs1 62a_100000709357_100011934649 [0,1,0,0,0,0|2,1,0]=4 1427 B11R1.4 COCCCSc1cncs1 62a_100011934649_100000709357 [0,1,0,0,0,0|2,1,0]=4 1428 B11R1.4 COCCCSc1cscn1 62a_100000709357_100000751502 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.4 COCCCSc1cscn1 62a_100000751502_100000709357 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.4 COCCCSc1ncc[nH]1 62a_100000709357_100025796157 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.4 COCCCSc1ncc[nH]1 62a_100025796157_100000709357 [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [0,1,0,0,0,0|2,0,0]=3 1433 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [0,1,0,0,0,0|2,0,0]=3 1434 B11R1.4 COCCCSc1nccs1 62a_100000211983_100000709357 [0,1,0,0,0,0|2,1,0]=4 1435 B11R1.4 COCCCSc1nccs1 62a_100000709357_100000211983 [0,1,0,0,0,0|2,1,0]=4 1436 B11R1.4 COCCNCc1c[nH]cn1 2230a_100000209980_100000707719 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.4 COCCNCc1cc[nH]n1 207a_100000209980_100000738523 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.4 COCCNCc1cc[nH]n1 270004a_100000209980_100000738523 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [0,1,0,0,0,0|1,0,0]=2 1440 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [0,1,0,0,0,0|1,0,0]=2 1441 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [0,1,0,0,0,0|1,0,0]=2 1442 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [0,1,0,0,0,0|1,0,0]=2 1443 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [0,1,0,0,0,0|1,1,0]=3 1444 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [0,1,0,0,0,0|1,1,0]=3 1445 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [0,1,0,0,0,0|1,1,0]=3 1446 B11R1.4 COCCNCc1ccn[nH]1 2230a_100000209980_100000728653 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.4 COCCNCc1ccoc1 207a_100000209980_100011215517 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.4 COCCNCc1ccoc1 2230a_100015206860_100011201679 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.4 COCCNCc1ccoc1 270004a_100000209980_100011215517 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.4 COCCNCc1ccoc1 34a_100015206860_100011201679 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.4 COCCNCc1ccon1 2230a_100000209980_100000234950 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.4 COCCNCc1ccsc1 207a_100000209980_100000188534 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.4 COCCNCc1ccsc1 2230a_100000186416_100011201679 [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.4 COCCNCc1ccsc1 2230a_100000209980_100011261437 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.4 COCCNCc1ccsc1 270004a_100000209980_100000188534 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.4 COCCNCc1ccsc1 34a_100000186416_100011201679 [0,1,0,0,0,0|3,0,0]=4 1457 B11R1.4 COCCNCc1cnc[nH]1 207a_100000209980_100000742939 [0,1,0,0,0,0|3,0,0]=4 1458 B11R1.4 COCCNCc1cnco1 270004a_100000209980_100000064291 [0,1,0,0,0,0|2,0,0]=3 1459 B11R1.4 COCCNCc1cncs1 207a_100000209980_100000749870 [0,1,0,0,0,0|2,1,0]=4 1460 B11R1.4 COCCNCc1cncs1 2230a_100000209980_100015185245 [0,1,0,0,0,0|2,1,0]=4 1461 B11R1.4 COCCNCc1cncs1 2230a_100016987365_100011201679 [0,1,0,0,0,0|2,1,0]=4 1462 B11R1.4 COCCNCc1cncs1 270004a_100000209980_100000749870 [0,1,0,0,0,0|2,1,0]=4 1463 B11R1.4 COCCNCc1cocn1 270004a_100000209980_100000050382 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.4 COCCNCc1cscn1 207a_100000209980_100000743575 [0,1,0,0,0,0|3,0,0]=4 1465 B11R1.4 COCCNCc1cscn1 2230a_100000209980_100000205941 [0,1,0,0,0,0|3,0,0]=4 1466 B11R1.4 COCCNCc1cscn1 2230a_100015185402_100011201679 [0,1,0,0,0,0|3,0,0]=4 1467 B11R1.4 COCCNCc1cscn1 270004a_100000209980_100000743575 [0,1,0,0,0,0|3,0,0]=4 1468 B11R1.4 COCCNCc1ncc[nH]1 207a_100000209980_100000743867 [0,1,0,0,0,0|3,0,0]=4 1469 B11R1.4 COCCNCc1ncc[nH]1 2230a_100000209980_100016991755 [0,1,0,0,0,0|3,0,0]=4 1470 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [0,1,0,0,0,0|2,0,0]=3 1471 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [0,1,0,0,0,0|2,0,0]=3 1472 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [0,1,0,0,0,0|2,0,0]=3 1473 B11R1.4 COCCNCc1nccs1 207a_100000209980_100000750902 [0,1,0,0,0,0|2,1,0]=4 1474 B11R1.4 COCCNCc1nccs1 2230a_100000209980_100015184050 [0,1,0,0,0,0|2,1,0]=4 1475 B11R1.4 COCCNCc1nccs1 2230a_100000740555_100011201679 [0,1,0,0,0,0|2,1,0]=4 1476 B11R1.4 COCCNCc1nccs1 270004a_100000209980_100000750902 [0,1,0,0,0,0|2,1,0]=4 1477 B11R1.4 COCCOCc1c[nH]cn1 34a_100000210237_100000707719 [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [0,1,0,0,0,0|1,0,0]=2 1479 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [0,1,0,0,0,0|1,1,0]=3 1480 B11R1.4 COCCOCc1ccn[nH]1 34a_100000210237_100000728653 [0,1,0,0,0,0|3,0,0]=4 1481 B11R1.4 COCCOCc1ccno1 34a_100000740478_100011201679 [0,1,0,0,0,0|2,0,0]=3 1482 B11R1.4 COCCOCc1ccoc1 34a_100011215357_100011201679 [0,1,0,0,0,0|3,0,0]=4 1483 B11R1.4 COCCOCc1ccon1 34a_100000210237_100000234950 [0,1,0,0,0,0|3,0,0]=4 1484 B11R1.4 COCCOCc1ccsc1 34a_100000210237_100011261437 [0,1,0,0,0,0|3,0,0]=4 1485 B11R1.4 COCCOCc1ccsc1 34a_100011215551_100011201679 [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.4 COCCOCc1cncs1 34a_100000210237_100015185245 [0,1,0,0,0,0|2,1,0]=4 1487 B11R1.4 COCCOCc1cscn1 34a_100000210237_100000205941 [0,1,0,0,0,0|3,0,0]=4 1488 B11R1.4 COCCOCc1ncc[nH]1 34a_100000210237_100016991755 [0,1,0,0,0,0|3,0,0]=4 1489 B11R1.4 COCCOCc1ncco1 34a_100000062594_100011201679 [0,1,0,0,0,0|2,0,0]=3 1490 B11R1.4 COCCOCc1ncco1 34a_100000210237_103436540062 [0,1,0,0,0,0|2,0,0]=3 1491 B11R1.4 COCCOCc1nccs1 34a_100000210237_100015184050 [0,1,0,0,0,0|2,1,0]=4 1492 B11R1.4 COCCOCn1cccn1 34a_100000731028_100011201679 [0,1,0,0,0,0|3,0,0]=4 1493 B11R1.4 COCCSCc1c[nH]cn1 62a_100000233755_100000707719 [0,1,0,0,0,0|3,0,0]=4 1494 B11R1.4 COCCSCc1c[nH]cn1 62a_100000707719_100000233755 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.4 COCCSCc1ccn[nH]1 62a_100000233755_100000728653 [0,1,0,0,0,0|3,0,0]=4 1496 B11R1.4 COCCSCc1ccn[nH]1 62a_100000728653_100000233755 [0,1,0,0,0,0|3,0,0]=4 1497 B11R1.4 COCCSCc1ccon1 62a_100000233755_100000234950 [0,1,0,0,0,0|3,0,0]=4 1498 B11R1.4 COCCSCc1ccon1 62a_100000234950_100000233755 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.4 COCCSCc1ccsc1 62a_100000233755_100011233845 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.4 COCCSCc1ccsc1 62a_100011261437_100000233755 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.4 COCCSCc1cncs1 62a_100000233755_100015185245 [0,1,0,0,0,0|2,1,0]=4 1502 B11R1.4 COCCSCc1cncs1 62a_100015185245_100000233755 [0,1,0,0,0,0|2,1,0]=4 1503 B11R1.4 COCCSCc1cscn1 62a_100000205941_100000233755 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.4 COCCSCc1cscn1 62a_100000233755_100000205941 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.4 COCCSCc1ncc[nH]1 62a_100000233755_100016991755 [0,1,0,0,0,0|3,0,0]=4 1506 B11R1.4 COCCSCc1ncc[nH]1 62a_100016991755_100000233755 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [0,1,0,0,0,0|2,0,0]=3 1508 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [0,1,0,0,0,0|2,0,0]=3 1509 B11R1.4 COCCSCc1nccs1 62a_100000233755_100015184050 [0,1,0,0,0,0|2,1,0]=4 1510 B11R1.4 COCCSCc1nccs1 62a_100015184050_100000233755 [0,1,0,0,0,0|2,1,0]=4 1511 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [0,1,0,0,0,0|1,0,0]=2 1512 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [0,1,0,0,0,0|1,1,0]=3 1513 B11R1.4 COCNCCc1ccsc1 2230a_100000692642_100000766300 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.4 COCNCCc1cncs1 2230a_100016991637_100000766300 [0,1,0,0,0,0|2,1,0]=4 1515 B11R1.4 COCNCCc1nccs1 2230a_100015186391_100000766300 [0,1,0,0,0,0|2,1,0]=4 1516 B11R1.4 COCNCCn1cccn1 2230a_100011200920_100000766300 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.4 COCSCCc1c[nH]cn1 62a_100000766300_100020628418 [0,1,0,0,0,0|3,0,0]=4 1518 B11R1.4 COCSCCc1c[nH]cn1 62a_100020628418_100000766300 [0,1,0,0,0,0|3,0,0]=4 1519 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [0,1,0,0,0,0|1,1,0]=3 1520 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [0,1,0,0,0,0|1,1,0]=3 1521 B11R1.4 COCSCCn1cccc1 62a_100000766300_200000035178 [0,1,0,0,0,0|3,0,0]=4 1522 B11R1.4 COCSCCn1cccc1 62a_200009811947_100000766300 [0,1,0,0,0,0|3,0,0]=4 1523 B11R1.4 COCSCCn1cccn1 62a_100000766300_100000685285 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.4 COCSCCn1cccn1 62a_100015204718_100000766300 [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.4 CSCCNCc1c[nH]cn1 2230a_100020590264_100000707719 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.4 CSCCNCc1cc[nH]n1 207a_100020590264_100000738523 [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.4 CSCCNCc1cc[nH]n1 270004a_100020590264_100000738523 [0,1,0,0,0,0|3,0,0]=4 1528 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [0,1,0,0,0,0|1,0,0]=2 1529 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [0,1,0,0,0,0|1,0,0]=2 1530 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [0,1,0,0,0,0|1,0,0]=2 1531 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [0,1,0,0,0,0|1,0,0]=2 1532 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [0,1,0,0,0,0|1,1,0]=3 1533 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [0,1,0,0,0,0|1,1,0]=3 1534 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [0,1,0,0,0,0|1,1,0]=3 1535 B11R1.4 CSCCNCc1ccn[nH]1 2230a_100020590264_100000728653 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.4 CSCCNCc1ccoc1 207a_100020590264_100011215517 [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.4 CSCCNCc1ccoc1 2230a_100015206860_100000751147 [0,1,0,0,0,0|3,0,0]=4 1538 B11R1.4 CSCCNCc1ccoc1 270004a_100020590264_100011215517 [0,1,0,0,0,0|3,0,0]=4 1539 B11R1.4 CSCCNCc1ccoc1 34a_100015206860_100000212216 [0,1,0,0,0,0|3,0,0]=4 1540 B11R1.4 CSCCNCc1ccon1 2230a_100020590264_100000234950 [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.4 CSCCNCc1ccsc1 207a_100020590264_100000188534 [0,1,0,0,0,0|3,0,0]=4 1542 B11R1.4 CSCCNCc1ccsc1 2230a_100000186416_100000751147 [0,1,0,0,0,0|3,0,0]=4 1543 B11R1.4 CSCCNCc1ccsc1 2230a_100020590264_100011261437 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.4 CSCCNCc1ccsc1 270004a_100020590264_100000188534 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.4 CSCCNCc1ccsc1 34a_100000186416_100000212216 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.4 CSCCNCc1cnc[nH]1 207a_100020590264_100000742939 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.4 CSCCNCc1cnco1 270004a_100020590264_100000064291 [0,1,0,0,0,0|2,0,0]=3 1548 B11R1.4 CSCCNCc1cncs1 207a_100020590264_100000749870 [0,1,0,0,0,0|2,1,0]=4 1549 B11R1.4 CSCCNCc1cncs1 2230a_100016987365_100000751147 [0,1,0,0,0,0|2,1,0]=4 1550 B11R1.4 CSCCNCc1cncs1 2230a_100020590264_100015185245 [0,1,0,0,0,0|2,1,0]=4 1551 B11R1.4 CSCCNCc1cncs1 270004a_100020590264_100000749870 [0,1,0,0,0,0|2,1,0]=4 1552 B11R1.4 CSCCNCc1cocn1 270004a_100020590264_100000050382 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.4 CSCCNCc1cscn1 207a_100020590264_100000743575 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.4 CSCCNCc1cscn1 2230a_100015185402_100000751147 [0,1,0,0,0,0|3,0,0]=4 1555 B11R1.4 CSCCNCc1cscn1 2230a_100020590264_100000205941 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.4 CSCCNCc1cscn1 270004a_100020590264_100000743575 [0,1,0,0,0,0|3,0,0]=4 1557 B11R1.4 CSCCNCc1ncc[nH]1 207a_100020590264_100000743867 [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.4 CSCCNCc1ncc[nH]1 2230a_100020590264_100016991755 [0,1,0,0,0,0|3,0,0]=4 1559 B11R1.4 CSCCNCc1ncco1 2230a_100016994969_100000751147 [0,1,0,0,0,0|2,0,0]=3 1560 B11R1.4 CSCCNCc1ncco1 2230a_100020590264_103436540062 [0,1,0,0,0,0|2,0,0]=3 1561 B11R1.4 CSCCNCc1ncco1 270004a_100020590264_100000064290 [0,1,0,0,0,0|2,0,0]=3 1562 B11R1.4 CSCCNCc1nccs1 207a_100020590264_100000750902 [0,1,0,0,0,0|2,1,0]=4 1563 B11R1.4 CSCCNCc1nccs1 2230a_100000740555_100000751147 [0,1,0,0,0,0|2,1,0]=4 1564 B11R1.4 CSCCNCc1nccs1 2230a_100020590264_100015184050 [0,1,0,0,0,0|2,1,0]=4 1565 B11R1.4 CSCCNCc1nccs1 270004a_100020590264_100000750902 [0,1,0,0,0,0|2,1,0]=4 1566 B11R1.4 CSCCOCc1c[nH]cn1 34a_100000230434_100000707719 [0,1,0,0,0,0|3,0,0]=4 1567 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [0,1,0,0,0,0|1,0,0]=2 1568 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [0,1,0,0,0,0|1,1,0]=3 1569 B11R1.4 CSCCOCc1ccn[nH]1 34a_100000230434_100000728653 [0,1,0,0,0,0|3,0,0]=4 1570 B11R1.4 CSCCOCc1ccn[nH]1 7a_100000230434_100000728653 [0,1,0,0,0,0|3,0,0]=4 1571 B11R1.4 CSCCOCc1ccno1 34a_100000740478_100000212216 [0,1,0,0,0,0|2,0,0]=3 1572 B11R1.4 CSCCOCc1ccoc1 34a_100011215357_100000212216 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.4 CSCCOCc1ccon1 34a_100000230434_100000234950 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.4 CSCCOCc1ccon1 7a_100000230434_100000234950 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.4 CSCCOCc1ccsc1 34a_100000230434_100011261437 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.4 CSCCOCc1ccsc1 34a_100011215551_100000212216 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.4 CSCCOCc1ccsc1 7a_100000230434_100011261437 [0,1,0,0,0,0|3,0,0]=4 1578 B11R1.4 CSCCOCc1cncs1 34a_100000230434_100015185245 [0,1,0,0,0,0|2,1,0]=4 1579 B11R1.4 CSCCOCc1cncs1 7a_100000230434_100015185245 [0,1,0,0,0,0|2,1,0]=4 1580 B11R1.4 CSCCOCc1cscn1 34a_100000230434_100000205941 [0,1,0,0,0,0|3,0,0]=4 1581 B11R1.4 CSCCOCc1cscn1 7a_100000230434_100000205941 [0,1,0,0,0,0|3,0,0]=4 1582 B11R1.4 CSCCOCc1ncc[nH]1 34a_100000230434_100016991755 [0,1,0,0,0,0|3,0,0]=4 1583 B11R1.4 CSCCOCc1ncc[nH]1 7a_100000230434_100000753453 [0,1,0,0,0,0|3,0,0]=4 1584 B11R1.4 CSCCOCc1ncco1 34a_100000062594_100000212216 [0,1,0,0,0,0|2,0,0]=3 1585 B11R1.4 CSCCOCc1ncco1 34a_100000230434_103436540062 [0,1,0,0,0,0|2,0,0]=3 1586 B11R1.4 CSCCOCc1ncco1 7a_100000230434_103436540062 [0,1,0,0,0,0|2,0,0]=3 1587 B11R1.4 CSCCOCc1nccs1 34a_100000230434_100015184050 [0,1,0,0,0,0|2,1,0]=4 1588 B11R1.4 CSCCOCc1nccs1 7a_100000230434_100015184050 [0,1,0,0,0,0|2,1,0]=4 1589 B11R1.4 CSCCOCn1cccn1 34a_100000731028_100000212216 [0,1,0,0,0,0|3,0,0]=4 1590 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000212216_100000707719 [0,1,0,0,0,0|3,0,0]=4 1591 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000707719_100000751147 [0,1,0,0,0,0|3,0,0]=4 1592 B11R1.4 CSCCSCc1ccn[nH]1 62a_100000212216_100000728653 [0,1,0,0,0,0|3,0,0]=4 1593 B11R1.4 CSCCSCc1ccn[nH]1 62a_100000728653_100000751147 [0,1,0,0,0,0|3,0,0]=4 1594 B11R1.4 CSCCSCc1ccon1 62a_100000212216_100000234950 [0,1,0,0,0,0|3,0,0]=4 1595 B11R1.4 CSCCSCc1ccon1 62a_100000234950_100000751147 [0,1,0,0,0,0|3,0,0]=4 1596 B11R1.4 CSCCSCc1ccsc1 62a_100000212216_100011233845 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.4 CSCCSCc1ccsc1 62a_100011261437_100000751147 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.4 CSCCSCc1cncs1 62a_100000212216_100015185245 [0,1,0,0,0,0|2,1,0]=4 1599 B11R1.4 CSCCSCc1cncs1 62a_100015185245_100000751147 [0,1,0,0,0,0|2,1,0]=4 1600 B11R1.4 CSCCSCc1cscn1 62a_100000205941_100000751147 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.4 CSCCSCc1cscn1 62a_100000212216_100000205941 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.4 CSCCSCc1ncc[nH]1 62a_100000212216_100016991755 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.4 CSCCSCc1ncc[nH]1 62a_100016991755_100000751147 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [0,1,0,0,0,0|2,0,0]=3 1605 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [0,1,0,0,0,0|2,0,0]=3 1606 B11R1.4 CSCCSCc1nccs1 62a_100000212216_100015184050 [0,1,0,0,0,0|2,1,0]=4 1607 B11R1.4 CSCCSCc1nccs1 62a_100015184050_100000751147 [0,1,0,0,0,0|2,1,0]=4 1608 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [0,1,0,0,0,0|1,0,0]=2 1609 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [0,1,0,0,0,0|1,0,0]=2 1610 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [0,1,0,0,0,0|1,1,0]=3 1611 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [0,1,0,0,0,0|1,1,0]=3 1612 B11R1.4 CSCNCCc1ccsc1 2230a_100000692642_100011218213 [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.4 CSCNCCc1ccsc1 34a_100000692642_100011218213 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.4 CSCNCCc1cncs1 2230a_100016991637_100011218213 [0,1,0,0,0,0|2,1,0]=4 1615 B11R1.4 CSCNCCc1nccs1 2230a_100015186391_100011218213 [0,1,0,0,0,0|2,1,0]=4 1616 B11R1.4 CSCNCCn1cccc1 34a_100011368172_100011218213 [0,1,0,0,0,0|3,0,0]=4 1617 B11R1.4 CSCNCCn1cccn1 2230a_100011200920_100011218213 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [0,1,0,0,0,0|1,1,0]=3 1619 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.4 CSCOCCc1ncc[nH]1 34a_103549771195_100011218213 [0,1,0,0,0,0|3,0,0]=4 1621 B11R1.4 CSCOCCn1cccc1 34a_100000179382_100011218213 [0,1,0,0,0,0|3,0,0]=4 1622 B11R1.4 CSCOCCn1cccn1 34a_100000743371_100011218213 [0,1,0,0,0,0|3,0,0]=4 1623 B11R1.4 CSCSCCc1c[nH]cn1 62a_100011218213_100020628418 [0,1,0,0,0,0|3,0,0]=4 1624 B11R1.4 CSCSCCc1c[nH]cn1 62a_100020628418_100011218213 [0,1,0,0,0,0|3,0,0]=4 1625 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [0,1,0,0,0,0|1,1,0]=3 1626 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [0,1,0,0,0,0|1,1,0]=3 1627 B11R1.4 CSCSCCn1cccc1 62a_100011218213_200000035178 [0,1,0,0,0,0|3,0,0]=4 1628 B11R1.4 CSCSCCn1cccc1 62a_200009811947_100011218213 [0,1,0,0,0,0|3,0,0]=4 1629 B11R1.4 CSCSCCn1cccn1 62a_100011218213_100000685285 [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.4 CSCSCCn1cccn1 62a_100015204718_100011218213 [0,1,0,0,0,0|3,0,0]=4 1631 B11R1.4 ClCCCOCc1c[nH]cn1 34a_100000230001_100000707719 [0,1,0,0,0,0|3,0,0]=4 1632 B11R1.4 ClCCCOCc1ccn[nH]1 34a_100000230001_100000728653 [0,1,0,0,0,0|3,0,0]=4 1633 B11R1.4 ClCCCOCc1ccon1 34a_100000230001_100000234950 [0,1,0,0,0,0|3,0,0]=4 1634 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,1,0,0,0,0|3,0,0]=4 1635 B11R1.4 ClCCCOCc1cncs1 34a_100000230001_100015185245 [0,1,0,0,0,0|2,1,0]=4 1636 B11R1.4 ClCCCOCc1cscn1 34a_100000230001_100000205941 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.4 ClCCCOCc1ncc[nH]1 34a_100000230001_100016991755 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.4 ClCCCOCc1ncco1 34a_100000230001_103436540062 [0,1,0,0,0,0|2,0,0]=3 1639 B11R1.4 ClCCCOCc1nccs1 34a_100000230001_100015184050 [0,1,0,0,0,0|2,1,0]=4 1640 B11R1.4 FCCCCCN1CC=CC1 269982a_100015195280_100000729378 [0,1,0,0,0,0|2,0,1]=4 1641 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.4 FCCCCSc1c[nH]cn1 62a_100000729493_100000756875 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.4 FCCCCSc1c[nH]cn1 62a_100000756875_100000729493 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.4 FCCCCSc1cc[nH]n1 62a_100000062575_100000729493 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.4 FCCCCSc1cc[nH]n1 62a_100000729493_100000062575 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,1,0,0,0,0|1,0,0]=2 1648 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,1,0,0,0,0|1,0,0]=2 1649 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,1,0,0,0,0|1,1,0]=3 1650 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,1,0,0,0,0|1,1,0]=3 1651 B11R1.4 FCCCCSc1ccoc1 62a_100000729493_100011215275 [0,1,0,0,0,0|3,0,0]=4 1652 B11R1.4 FCCCCSc1ccoc1 62a_100011215275_100000729493 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.4 FCCCCSc1ccon1 62a_100000729493_100009818083 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.4 FCCCCSc1ccon1 62a_100009818083_100000729493 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [0,1,0,0,0,0|3,0,0]=4 1656 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [0,1,0,0,0,0|3,0,0]=4 1657 B11R1.4 FCCCCSc1ccsn1 62a_100000729493_100009818082 [0,1,0,0,0,0|3,0,0]=4 1658 B11R1.4 FCCCCSc1ccsn1 62a_100009818082_100000729493 [0,1,0,0,0,0|3,0,0]=4 1659 B11R1.4 FCCCCSc1cnco1 62a_100000729493_100020591547 [0,1,0,0,0,0|2,0,0]=3 1660 B11R1.4 FCCCCSc1cnco1 62a_100020591547_100000729493 [0,1,0,0,0,0|2,0,0]=3 1661 B11R1.4 FCCCCSc1cncs1 62a_100000729493_100011934649 [0,1,0,0,0,0|2,1,0]=4 1662 B11R1.4 FCCCCSc1cncs1 62a_100011934649_100000729493 [0,1,0,0,0,0|2,1,0]=4 1663 B11R1.4 FCCCCSc1cscn1 62a_100000729493_100000751502 [0,1,0,0,0,0|3,0,0]=4 1664 B11R1.4 FCCCCSc1cscn1 62a_100000751502_100000729493 [0,1,0,0,0,0|3,0,0]=4 1665 B11R1.4 FCCCCSc1ncc[nH]1 62a_100000729493_100025796157 [0,1,0,0,0,0|3,0,0]=4 1666 B11R1.4 FCCCCSc1ncc[nH]1 62a_100025796157_100000729493 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [0,1,0,0,0,0|2,0,0]=3 1668 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [0,1,0,0,0,0|2,0,0]=3 1669 B11R1.4 FCCCCSc1nccs1 62a_100000211983_100000729493 [0,1,0,0,0,0|2,1,0]=4 1670 B11R1.4 FCCCCSc1nccs1 62a_100000729493_100000211983 [0,1,0,0,0,0|2,1,0]=4 1671 B11R1.4 FCCCNCc1c[nH]cn1 2230a_100015189416_100000707719 [0,1,0,0,0,0|3,0,0]=4 1672 B11R1.4 FCCCNCc1c[nH]cn1 34a_100015189416_100000707719 [0,1,0,0,0,0|3,0,0]=4 1673 B11R1.4 FCCCNCc1cc[nH]n1 207a_100015189416_100000738523 [0,1,0,0,0,0|3,0,0]=4 1674 B11R1.4 FCCCNCc1cc[nH]n1 270004a_100015189416_100000738523 [0,1,0,0,0,0|3,0,0]=4 1675 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,1,0,0,0,0|1,0,0]=2 1676 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,1,0,0,0,0|1,0,0]=2 1677 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,1,0,0,0,0|1,0,0]=2 1678 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,1,0,0,0,0|1,0,0]=2 1679 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,1,0,0,0,0|1,1,0]=3 1680 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,1,0,0,0,0|1,1,0]=3 1681 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,1,0,0,0,0|1,1,0]=3 1682 B11R1.4 FCCCNCc1ccn[nH]1 2230a_100015189416_100000728653 [0,1,0,0,0,0|3,0,0]=4 1683 B11R1.4 FCCCNCc1ccn[nH]1 34a_100015189416_100000728653 [0,1,0,0,0,0|3,0,0]=4 1684 B11R1.4 FCCCNCc1ccoc1 207a_100015189416_100011215517 [0,1,0,0,0,0|3,0,0]=4 1685 B11R1.4 FCCCNCc1ccoc1 2230a_100015206860_100011934791 [0,1,0,0,0,0|3,0,0]=4 1686 B11R1.4 FCCCNCc1ccoc1 270004a_100015189416_100011215517 [0,1,0,0,0,0|3,0,0]=4 1687 B11R1.4 FCCCNCc1ccoc1 34a_100015206860_100011934791 [0,1,0,0,0,0|3,0,0]=4 1688 B11R1.4 FCCCNCc1ccon1 2230a_100015189416_100000234950 [0,1,0,0,0,0|3,0,0]=4 1689 B11R1.4 FCCCNCc1ccon1 34a_100015189416_100000234950 [0,1,0,0,0,0|3,0,0]=4 1690 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,1,0,0,0,0|3,0,0]=4 1691 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,1,0,0,0,0|3,0,0]=4 1692 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,1,0,0,0,0|3,0,0]=4 1693 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,1,0,0,0,0|3,0,0]=4 1694 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,1,0,0,0,0|3,0,0]=4 1695 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,1,0,0,0,0|3,0,0]=4 1696 B11R1.4 FCCCNCc1cnc[nH]1 207a_100015189416_100000742939 [0,1,0,0,0,0|3,0,0]=4 1697 B11R1.4 FCCCNCc1cnco1 270004a_100015189416_100000064291 [0,1,0,0,0,0|2,0,0]=3 1698 B11R1.4 FCCCNCc1cncs1 207a_100015189416_100000749870 [0,1,0,0,0,0|2,1,0]=4 1699 B11R1.4 FCCCNCc1cncs1 2230a_100015189416_100015185245 [0,1,0,0,0,0|2,1,0]=4 1700 B11R1.4 FCCCNCc1cncs1 2230a_100016987365_100011934791 [0,1,0,0,0,0|2,1,0]=4 1701 B11R1.4 FCCCNCc1cncs1 270004a_100015189416_100000749870 [0,1,0,0,0,0|2,1,0]=4 1702 B11R1.4 FCCCNCc1cncs1 34a_100015189416_100015185245 [0,1,0,0,0,0|2,1,0]=4 1703 B11R1.4 FCCCNCc1cocn1 270004a_100015189416_100000050382 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.4 FCCCNCc1cscn1 207a_100015189416_100000743575 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.4 FCCCNCc1cscn1 2230a_100015185402_100011934791 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.4 FCCCNCc1cscn1 2230a_100015189416_100000205941 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.4 FCCCNCc1cscn1 270004a_100015189416_100000743575 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.4 FCCCNCc1cscn1 34a_100015189416_100000205941 [0,1,0,0,0,0|3,0,0]=4 1709 B11R1.4 FCCCNCc1ncc[nH]1 207a_100015189416_100000743867 [0,1,0,0,0,0|3,0,0]=4 1710 B11R1.4 FCCCNCc1ncc[nH]1 2230a_100015189416_100016991755 [0,1,0,0,0,0|3,0,0]=4 1711 B11R1.4 FCCCNCc1ncc[nH]1 34a_100015189416_100016991755 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.4 FCCCNCc1ncco1 2230a_100015189416_103436540062 [0,1,0,0,0,0|2,0,0]=3 1713 B11R1.4 FCCCNCc1ncco1 2230a_100016994969_100011934791 [0,1,0,0,0,0|2,0,0]=3 1714 B11R1.4 FCCCNCc1ncco1 270004a_100015189416_100000064290 [0,1,0,0,0,0|2,0,0]=3 1715 B11R1.4 FCCCNCc1ncco1 34a_100015189416_103436540062 [0,1,0,0,0,0|2,0,0]=3 1716 B11R1.4 FCCCNCc1nccs1 207a_100015189416_100000750902 [0,1,0,0,0,0|2,1,0]=4 1717 B11R1.4 FCCCNCc1nccs1 2230a_100000740555_100011934791 [0,1,0,0,0,0|2,1,0]=4 1718 B11R1.4 FCCCNCc1nccs1 2230a_100015189416_100015184050 [0,1,0,0,0,0|2,1,0]=4 1719 B11R1.4 FCCCNCc1nccs1 270004a_100015189416_100000750902 [0,1,0,0,0,0|2,1,0]=4 1720 B11R1.4 FCCCNCc1nccs1 34a_100015189416_100015184050 [0,1,0,0,0,0|2,1,0]=4 1721 B11R1.4 FCCCOCc1c[nH]cn1 34a_100000759539_100000707719 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [0,1,0,0,0,0|1,0,0]=2 1723 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [0,1,0,0,0,0|1,1,0]=3 1724 B11R1.4 FCCCOCc1ccn[nH]1 34a_100000759539_100000728653 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.4 FCCCOCc1ccno1 34a_100000740478_100011934791 [0,1,0,0,0,0|2,0,0]=3 1726 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.4 FCCCOCc1ccon1 34a_100000759539_100000234950 [0,1,0,0,0,0|3,0,0]=4 1728 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,1,0,0,0,0|3,0,0]=4 1729 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,1,0,0,0,0|3,0,0]=4 1730 B11R1.4 FCCCOCc1cncs1 34a_100000759539_100015185245 [0,1,0,0,0,0|2,1,0]=4 1731 B11R1.4 FCCCOCc1cscn1 34a_100000759539_100000205941 [0,1,0,0,0,0|3,0,0]=4 1732 B11R1.4 FCCCOCc1ncc[nH]1 34a_100000759539_100016991755 [0,1,0,0,0,0|3,0,0]=4 1733 B11R1.4 FCCCOCc1ncco1 34a_100000062594_100011934791 [0,1,0,0,0,0|2,0,0]=3 1734 B11R1.4 FCCCOCc1ncco1 34a_100000759539_103436540062 [0,1,0,0,0,0|2,0,0]=3 1735 B11R1.4 FCCCOCc1nccs1 34a_100000759539_100015184050 [0,1,0,0,0,0|2,1,0]=4 1736 B11R1.4 FCCCOCn1cccn1 34a_100000731028_100011934791 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.4 FCCCSCc1c[nH]cn1 62a_100000707719_100011934791 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.4 FCCCSCc1c[nH]cn1 62a_100011934791_100000707719 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.4 FCCCSCc1ccn[nH]1 62a_100000728653_100011934791 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.4 FCCCSCc1ccn[nH]1 62a_100011934791_100000728653 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.4 FCCCSCc1ccon1 62a_100000234950_100011934791 [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.4 FCCCSCc1ccon1 62a_100011934791_100000234950 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.4 FCCCSCc1cncs1 62a_100011934791_100015185245 [0,1,0,0,0,0|2,1,0]=4 1746 B11R1.4 FCCCSCc1cncs1 62a_100015185245_100011934791 [0,1,0,0,0,0|2,1,0]=4 1747 B11R1.4 FCCCSCc1cscn1 62a_100000205941_100011934791 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.4 FCCCSCc1cscn1 62a_100011934791_100000205941 [0,1,0,0,0,0|3,0,0]=4 1749 B11R1.4 FCCCSCc1ncc[nH]1 62a_100011934791_100016991755 [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.4 FCCCSCc1ncc[nH]1 62a_100016991755_100011934791 [0,1,0,0,0,0|3,0,0]=4 1751 B11R1.4 FCCCSCc1ncco1 62a_100011934791_103436540062 [0,1,0,0,0,0|2,0,0]=3 1752 B11R1.4 FCCCSCc1ncco1 62a_103436540062_100011934791 [0,1,0,0,0,0|2,0,0]=3 1753 B11R1.4 FCCCSCc1nccs1 62a_100011934791_100015184050 [0,1,0,0,0,0|2,1,0]=4 1754 B11R1.4 FCCCSCc1nccs1 62a_100015184050_100011934791 [0,1,0,0,0,0|2,1,0]=4 1755 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [0,1,0,0,0,0|1,0,0]=2 1756 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [0,1,0,0,0,0|1,0,0]=2 1757 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [0,1,0,0,0,0|1,1,0]=3 1758 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [0,1,0,0,0,0|1,1,0]=3 1759 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [0,1,0,0,0,0|1,1,0]=3 1760 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [0,1,0,0,0,0|3,0,0]=4 1761 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [0,1,0,0,0,0|3,0,0]=4 1762 B11R1.4 FCCNCCc1cncs1 2230a_100016991637_100011217306 [0,1,0,0,0,0|2,1,0]=4 1763 B11R1.4 FCCNCCc1nccs1 2230a_100015186391_100011217306 [0,1,0,0,0,0|2,1,0]=4 1764 B11R1.4 FCCNCCn1cccc1 34a_100011368172_100011217306 [0,1,0,0,0,0|3,0,0]=4 1765 B11R1.4 FCCNCCn1cccn1 2230a_100011200920_100011217306 [0,1,0,0,0,0|3,0,0]=4 1766 B11R1.4 FCCNCCn1cccn1 34a_100000724931_100015204718 [0,1,0,0,0,0|3,0,0]=4 1767 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,1,0,0,0,0|1,1,0]=3 1768 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,1,0,0,0,0|1,1,0]=3 1769 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,1,0,0,0,0|3,0,0]=4 1770 B11R1.4 FCCOCCc1ncc[nH]1 34a_103549771195_100011217306 [0,1,0,0,0,0|3,0,0]=4 1771 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,1,0,0,0,0|3,0,0]=4 1772 B11R1.4 FCCOCCn1cccn1 34a_100000743371_100011217306 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.4 FCCSCCc1c[nH]cn1 62a_100011217306_100020628418 [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.4 FCCSCCc1c[nH]cn1 62a_100020628418_100011217306 [0,1,0,0,0,0|3,0,0]=4 1775 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [0,1,0,0,0,0|1,1,0]=3 1776 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [0,1,0,0,0,0|1,1,0]=3 1777 B11R1.4 FCCSCCn1cccc1 62a_100011217306_200000035178 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.4 FCCSCCn1cccc1 62a_200009811947_100011217306 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.4 FCCSCCn1cccn1 62a_100011217306_100000685285 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.4 FCCSCCn1cccn1 62a_100015204718_100011217306 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [0,1,0,0,0,0|1,1,0]=3 1782 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [0,1,0,0,0,0|1,1,0]=3 1783 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.4 FCOCCCn1cccc1 34a_100000179399_100015361967 [0,1,0,0,0,0|3,0,0]=4 1786 B11R1.4 FCOCCCn1cccc1 7a_100000179399_100015361967 [0,1,0,0,0,0|3,0,0]=4 1787 B11R1.4 FCOCCCn1cccn1 34a_100000753614_100015361967 [0,1,0,0,0,0|3,0,0]=4 1788 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [0,1,0,0,0,0|1,1,0]=3 1789 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [0,1,0,0,0,0|1,1,0]=3 1790 B11R1.4 FCSCCCn1cccc1 62a_100015361967_200009814367 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.4 FCSCCCn1cccc1 62a_200009814367_100015361967 [0,1,0,0,0,0|3,0,0]=4 1792 B11R1.4 FCSCCCn1cccn1 62a_100000739983_100015361967 [0,1,0,0,0,0|3,0,0]=4 1793 B11R1.4 FCSCCCn1cccn1 62a_100015361967_100000739983 [0,1,0,0,0,0|3,0,0]=4 1794 B11R1.4 N#CCCCSc1ccco1 62a_100000687738_100009814098 [0,1,0,0,0,0|1,0,1]=3 1795 B11R1.4 N#CCCCSc1ccco1 62a_100009814098_100000687738 [0,1,0,0,0,0|1,0,1]=3 1796 B11R1.4 N#CCCCSc1cccs1 62a_100000687738_100011215356 [0,1,0,0,0,0|1,1,1]=4 1797 B11R1.4 N#CCCCSc1cccs1 62a_100011215356_100000687738 [0,1,0,0,0,0|1,1,1]=4 1798 B11R1.4 N#CCCCSc1cnco1 62a_100000687738_100020591547 [0,1,0,0,0,0|2,0,1]=4 1799 B11R1.4 N#CCCCSc1cnco1 62a_100020591547_100000687738 [0,1,0,0,0,0|2,0,1]=4 1800 B11R1.4 N#CCCCSc1ncco1 62a_100000687738_100011787736 [0,1,0,0,0,0|2,0,1]=4 1801 B11R1.4 N#CCCCSc1ncco1 62a_100011787736_100000687738 [0,1,0,0,0,0|2,0,1]=4 1802 B11R1.4 N#CCCNCc1ccco1 2230a_100000185738_100011215226 [0,1,0,0,0,0|1,0,1]=3 1803 B11R1.4 N#CCCNCc1ccco1 270004a_100000720768_100000186105 [0,1,0,0,0,0|1,0,1]=3 1804 B11R1.4 N#CCCNCc1cccs1 2230a_100000211653_100011215226 [0,1,0,0,0,0|1,1,1]=4 1805 B11R1.4 N#CCCNCc1cccs1 270004a_100000720768_100000209959 [0,1,0,0,0,0|1,1,1]=4 1806 B11R1.4 N#CCCNCc1cnco1 270004a_100000720768_100000064291 [0,1,0,0,0,0|2,0,1]=4 1807 B11R1.4 N#CCCNCc1ncco1 2230a_100016994969_100011215226 [0,1,0,0,0,0|2,0,1]=4 1808 B11R1.4 N#CCCNCc1ncco1 270004a_100000720768_100000064290 [0,1,0,0,0,0|2,0,1]=4 1809 B11R1.4 N#CCCSCc1ncco1 62a_100011215226_103436540062 [0,1,0,0,0,0|2,0,1]=4 1810 B11R1.4 N#CCCSCc1ncco1 62a_103436540062_100011215226 [0,1,0,0,0,0|2,0,1]=4 1811 B11R1.4 N#CCNCCc1ccco1 2230a_100000694680_100011215382 [0,1,0,0,0,0|1,0,1]=3 1812 B11R1.4 N#CCNCCc1cccs1 2230a_100000203755_100011215382 [0,1,0,0,0,0|1,1,1]=4 1813 B11R1.4 N#CCOCCc1cccs1 7a_100011216825_100011215382 [0,1,0,0,0,0|1,1,1]=4 1814 B11R1.4 N#CCSCCc1cccs1 62a_100000748579_100011215382 [0,1,0,0,0,0|1,1,1]=4 1815 B11R1.4 N#CCSCCc1cccs1 62a_100011215382_100000748579 [0,1,0,0,0,0|1,1,1]=4 1816 B11R1.4 N#CSCCSc1ccco1 62a_100000034367_100009814098 [0,1,0,0,0,0|2,0,1]=4 1817 B11R1.4 N#CSCCSc1ccco1 62a_100009814098_100000034367 [0,1,0,0,0,0|2,0,1]=4 1818 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [0,1,0,0,0,0|3,0,0]=4 1819 B11R1.4 NCCCOCc1ccn[nH]1 34a_100000182051_100000728653 [0,1,0,0,0,0|3,0,0]=4 1820 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [0,1,0,0,0,0|3,0,0]=4 1821 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,1,0,0,0,0|3,0,0]=4 1822 B11R1.4 NCCCOCc1cncs1 34a_100000182051_100015185245 [0,1,0,0,0,0|2,1,0]=4 1823 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,1,0,0,0,0|3,0,0]=4 1824 B11R1.4 NCCCOCc1ncc[nH]1 34a_100000182051_100016991755 [0,1,0,0,0,0|3,0,0]=4 1825 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [0,1,0,0,0,0|2,0,0]=3 1826 B11R1.4 NCCCOCc1nccs1 34a_100000182051_100015184050 [0,1,0,0,0,0|2,1,0]=4 1827 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,1,0,0,0,0|1,1,0]=3 1828 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,1,0,0,0,0|3,0,0]=4 1829 B11R1.4 NOCCOCc1ncco1 34a_100000700252_103436540062 [0,1,0,0,0,0|3,0,0]=4 1830 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [0,1,0,0,0,0|1,0,1]=3 1831 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [0,1,0,0,0,0|1,0,1]=3 1832 B11R1.4 O=CCCCSc1cccs1 62a_100011215356_200011292268 [0,1,0,0,0,0|1,1,1]=4 1833 B11R1.4 O=CCCCSc1cccs1 62a_200011292268_100011215356 [0,1,0,0,0,0|1,1,1]=4 1834 B11R1.4 O=CCCCSc1cnco1 62a_100020591547_200011292268 [0,1,0,0,0,0|2,0,1]=4 1835 B11R1.4 O=CCCCSc1cnco1 62a_200011292268_100020591547 [0,1,0,0,0,0|2,0,1]=4 1836 B11R1.4 O=CCCCSc1ncco1 62a_100011787736_200011292268 [0,1,0,0,0,0|2,0,1]=4 1837 B11R1.4 O=CCCCSc1ncco1 62a_200011292268_100011787736 [0,1,0,0,0,0|2,0,1]=4 1838 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [0,1,0,0,0,0|1,0,1]=3 1839 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [0,1,0,0,0,0|1,0,1]=3 1840 B11R1.4 O=CCNCCc1cccs1 2230a_100000203755_200015260668 [0,1,0,0,0,0|1,1,1]=4 1841 B11R1.4 O=CCNCCc1cccs1 34a_100000203755_200009817547 [0,1,0,0,0,0|1,1,1]=4 1842 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [0,1,0,0,0,0|1,1,1]=4 1843 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [0,1,0,0,0,0|1,1,1]=4 1844 B11R1.4 O=CCSCCc1cccs1 62a_100000748579_200015260668 [0,1,0,0,0,0|1,1,1]=4 1845 B11R1.4 O=CCSCCc1cccs1 62a_200015260668_100000748579 [0,1,0,0,0,0|1,1,1]=4 1846 B11R1.4 OCC#CCSc1ccco1 62a_100009814098_200000047223 [0,1,0,0,0,0|1,0,2]=4 1847 B11R1.4 OCC#CCSc1ccco1 62a_200000047223_100009814098 [0,1,0,0,0,0|1,0,2]=4 1848 B11R1.4 OCCCCCN1CC=CC1 269982a_100015195280_100000746330 [0,1,0,0,0,0|2,0,1]=4 1849 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [0,1,0,0,0,0|3,0,0]=4 1850 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [0,1,0,0,0,0|3,0,0]=4 1851 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000210776_100000756875 [0,1,0,0,0,0|3,0,0]=4 1852 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000756875_100000210776 [0,1,0,0,0,0|3,0,0]=4 1853 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000062575_100000210776 [0,1,0,0,0,0|3,0,0]=4 1854 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000210776_100000062575 [0,1,0,0,0,0|3,0,0]=4 1855 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,1,0,0,0,0|1,0,0]=2 1856 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,1,0,0,0,0|1,0,0]=2 1857 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,1,0,0,0,0|1,1,0]=3 1858 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,1,0,0,0,0|1,1,0]=3 1859 B11R1.4 OCCCCSc1ccoc1 62a_100000210776_100011215275 [0,1,0,0,0,0|3,0,0]=4 1860 B11R1.4 OCCCCSc1ccoc1 62a_100011215275_100000210776 [0,1,0,0,0,0|3,0,0]=4 1861 B11R1.4 OCCCCSc1ccon1 62a_100000210776_100009818083 [0,1,0,0,0,0|3,0,0]=4 1862 B11R1.4 OCCCCSc1ccon1 62a_100009818083_100000210776 [0,1,0,0,0,0|3,0,0]=4 1863 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [0,1,0,0,0,0|3,0,0]=4 1864 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [0,1,0,0,0,0|3,0,0]=4 1865 B11R1.4 OCCCCSc1ccsn1 62a_100000210776_100009818082 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.4 OCCCCSc1ccsn1 62a_100009818082_100000210776 [0,1,0,0,0,0|3,0,0]=4 1867 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [0,1,0,0,0,0|2,0,0]=3 1868 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [0,1,0,0,0,0|2,0,0]=3 1869 B11R1.4 OCCCCSc1cncs1 62a_100000210776_100011934649 [0,1,0,0,0,0|2,1,0]=4 1870 B11R1.4 OCCCCSc1cncs1 62a_100011934649_100000210776 [0,1,0,0,0,0|2,1,0]=4 1871 B11R1.4 OCCCCSc1cscn1 62a_100000210776_100000751502 [0,1,0,0,0,0|3,0,0]=4 1872 B11R1.4 OCCCCSc1cscn1 62a_100000751502_100000210776 [0,1,0,0,0,0|3,0,0]=4 1873 B11R1.4 OCCCCSc1ncc[nH]1 62a_100000210776_100025796157 [0,1,0,0,0,0|3,0,0]=4 1874 B11R1.4 OCCCCSc1ncc[nH]1 62a_100025796157_100000210776 [0,1,0,0,0,0|3,0,0]=4 1875 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [0,1,0,0,0,0|2,0,0]=3 1876 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [0,1,0,0,0,0|2,0,0]=3 1877 B11R1.4 OCCCCSc1nccs1 62a_100000210776_100000211983 [0,1,0,0,0,0|2,1,0]=4 1878 B11R1.4 OCCCCSc1nccs1 62a_100000211983_100000210776 [0,1,0,0,0,0|2,1,0]=4 1879 B11R1.4 OCCCNCc1cc[nH]n1 207a_100000182051_100000738523 [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.4 OCCCNCc1cc[nH]n1 270004a_100000182051_100000738523 [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,1,0,0,0,0|1,0,0]=2 1882 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,1,0,0,0,0|1,0,0]=2 1883 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,1,0,0,0,0|1,0,0]=2 1884 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,1,0,0,0,0|1,0,0]=2 1885 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,1,0,0,0,0|1,1,0]=3 1886 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,1,0,0,0,0|1,1,0]=3 1887 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,1,0,0,0,0|1,1,0]=3 1888 B11R1.4 OCCCNCc1ccoc1 207a_100000182051_100011215517 [0,1,0,0,0,0|3,0,0]=4 1889 B11R1.4 OCCCNCc1ccoc1 2230a_100015206860_100000230001 [0,1,0,0,0,0|3,0,0]=4 1890 B11R1.4 OCCCNCc1ccoc1 270004a_100000182051_100011215517 [0,1,0,0,0,0|3,0,0]=4 1891 B11R1.4 OCCCNCc1ccoc1 34a_100015206860_100000230001 [0,1,0,0,0,0|3,0,0]=4 1892 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,1,0,0,0,0|3,0,0]=4 1893 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,1,0,0,0,0|3,0,0]=4 1894 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,1,0,0,0,0|3,0,0]=4 1895 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,1,0,0,0,0|3,0,0]=4 1896 B11R1.4 OCCCNCc1cnc[nH]1 207a_100000182051_100000742939 [0,1,0,0,0,0|3,0,0]=4 1897 B11R1.4 OCCCNCc1cnco1 270004a_100000182051_100000064291 [0,1,0,0,0,0|2,0,0]=3 1898 B11R1.4 OCCCNCc1cncs1 207a_100000182051_100000749870 [0,1,0,0,0,0|2,1,0]=4 1899 B11R1.4 OCCCNCc1cncs1 2230a_100016987365_100000230001 [0,1,0,0,0,0|2,1,0]=4 1900 B11R1.4 OCCCNCc1cncs1 270004a_100000182051_100000749870 [0,1,0,0,0,0|2,1,0]=4 1901 B11R1.4 OCCCNCc1cocn1 270004a_100000182051_100000050382 [0,1,0,0,0,0|3,0,0]=4 1902 B11R1.4 OCCCNCc1cscn1 207a_100000182051_100000743575 [0,1,0,0,0,0|3,0,0]=4 1903 B11R1.4 OCCCNCc1cscn1 2230a_100015185402_100000230001 [0,1,0,0,0,0|3,0,0]=4 1904 B11R1.4 OCCCNCc1cscn1 270004a_100000182051_100000743575 [0,1,0,0,0,0|3,0,0]=4 1905 B11R1.4 OCCCNCc1ncc[nH]1 207a_100000182051_100000743867 [0,1,0,0,0,0|3,0,0]=4 1906 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [0,1,0,0,0,0|2,0,0]=3 1907 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [0,1,0,0,0,0|2,0,0]=3 1908 B11R1.4 OCCCNCc1nccs1 207a_100000182051_100000750902 [0,1,0,0,0,0|2,1,0]=4 1909 B11R1.4 OCCCNCc1nccs1 2230a_100000740555_100000230001 [0,1,0,0,0,0|2,1,0]=4 1910 B11R1.4 OCCCNCc1nccs1 270004a_100000182051_100000750902 [0,1,0,0,0,0|2,1,0]=4 1911 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [0,1,0,0,0,0|1,0,0]=2 1912 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [0,1,0,0,0,0|1,1,0]=3 1913 B11R1.4 OCCCOCc1ccno1 34a_100000740478_100000230001 [0,1,0,0,0,0|2,0,0]=3 1914 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [0,1,0,0,0,0|3,0,0]=4 1915 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,1,0,0,0,0|3,0,0]=4 1916 B11R1.4 OCCCOCc1ncco1 34a_100000062594_100000230001 [0,1,0,0,0,0|2,0,0]=3 1917 B11R1.4 OCCCOCn1cccn1 34a_100000731028_100000230001 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.4 OCCCSCc1c[nH]cn1 62a_100000707719_100011215043 [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.4 OCCCSCc1c[nH]cn1 62a_100011215043_100000707719 [0,1,0,0,0,0|3,0,0]=4 1920 B11R1.4 OCCCSCc1ccn[nH]1 62a_100000728653_100011215043 [0,1,0,0,0,0|3,0,0]=4 1921 B11R1.4 OCCCSCc1ccn[nH]1 62a_100011215043_100000728653 [0,1,0,0,0,0|3,0,0]=4 1922 B11R1.4 OCCCSCc1ccon1 62a_100000234950_100011215043 [0,1,0,0,0,0|3,0,0]=4 1923 B11R1.4 OCCCSCc1ccon1 62a_100011215043_100000234950 [0,1,0,0,0,0|3,0,0]=4 1924 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [0,1,0,0,0,0|3,0,0]=4 1925 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [0,1,0,0,0,0|3,0,0]=4 1926 B11R1.4 OCCCSCc1cncs1 62a_100011215043_100015185245 [0,1,0,0,0,0|2,1,0]=4 1927 B11R1.4 OCCCSCc1cncs1 62a_100015185245_100011215043 [0,1,0,0,0,0|2,1,0]=4 1928 B11R1.4 OCCCSCc1cscn1 62a_100000205941_100011215043 [0,1,0,0,0,0|3,0,0]=4 1929 B11R1.4 OCCCSCc1cscn1 62a_100011215043_100000205941 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.4 OCCCSCc1ncc[nH]1 62a_100011215043_100016991755 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.4 OCCCSCc1ncc[nH]1 62a_100016991755_100011215043 [0,1,0,0,0,0|3,0,0]=4 1932 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [0,1,0,0,0,0|2,0,0]=3 1933 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [0,1,0,0,0,0|2,0,0]=3 1934 B11R1.4 OCCCSCc1nccs1 62a_100011215043_100015184050 [0,1,0,0,0,0|2,1,0]=4 1935 B11R1.4 OCCCSCc1nccs1 62a_100015184050_100011215043 [0,1,0,0,0,0|2,1,0]=4 1936 B11R1.4 OCCNCCc1c[nH]cn1 2230a_100016997473_100020628418 [0,1,0,0,0,0|3,0,0]=4 1937 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [0,1,0,0,0,0|1,0,0]=2 1938 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [0,1,0,0,0,0|1,0,0]=2 1939 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [0,1,0,0,0,0|1,1,0]=3 1940 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [0,1,0,0,0,0|1,1,0]=3 1941 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [0,1,0,0,0,0|1,1,0]=3 1942 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [0,1,0,0,0,0|1,1,0]=3 1943 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [0,1,0,0,0,0|3,0,0]=4 1944 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [0,1,0,0,0,0|3,0,0]=4 1945 B11R1.4 OCCNCCc1cncs1 2230a_100016991637_100000211926 [0,1,0,0,0,0|2,1,0]=4 1946 B11R1.4 OCCNCCc1nccs1 2230a_100015186391_100000211926 [0,1,0,0,0,0|2,1,0]=4 1947 B11R1.4 OCCNCCn1cccc1 2230a_100016997473_200009811947 [0,1,0,0,0,0|3,0,0]=4 1948 B11R1.4 OCCNCCn1cccc1 34a_100011368172_100000211926 [0,1,0,0,0,0|3,0,0]=4 1949 B11R1.4 OCCNCCn1cccn1 2230a_100011200920_100000211926 [0,1,0,0,0,0|3,0,0]=4 1950 B11R1.4 OCCNCCn1cccn1 2230a_100016997473_100000685285 [0,1,0,0,0,0|3,0,0]=4 1951 B11R1.4 OCCNCCn1cccn1 34a_100016990907_100015204718 [0,1,0,0,0,0|3,0,0]=4 1952 B11R1.4 OCCNN=Cc1ccco1 4a_100000210001_100000186105 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,1,0,0,0,0|1,1,0]=3 1954 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,1,0,0,0,0|1,1,0]=3 1955 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,1,0,0,0,0|3,0,0]=4 1956 B11R1.4 OCCOCCc1ncc[nH]1 34a_103549771195_100000211926 [0,1,0,0,0,0|3,0,0]=4 1957 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,1,0,0,0,0|3,0,0]=4 1958 B11R1.4 OCCOCCn1cccn1 34a_100000743371_100000211926 [0,1,0,0,0,0|3,0,0]=4 1959 B11R1.4 OCCSCCc1c[nH]cn1 62a_100000211926_100020628418 [0,1,0,0,0,0|3,0,0]=4 1960 B11R1.4 OCCSCCc1c[nH]cn1 62a_100020628418_100000211926 [0,1,0,0,0,0|3,0,0]=4 1961 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [0,1,0,0,0,0|1,1,0]=3 1962 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [0,1,0,0,0,0|1,1,0]=3 1963 B11R1.4 OCCSCCn1cccc1 62a_100000211926_200000035178 [0,1,0,0,0,0|3,0,0]=4 1964 B11R1.4 OCCSCCn1cccc1 62a_200009811947_100000211926 [0,1,0,0,0,0|3,0,0]=4 1965 B11R1.4 OCCSCCn1cccn1 62a_100000211926_100000685285 [0,1,0,0,0,0|3,0,0]=4 1966 B11R1.4 OCCSCCn1cccn1 62a_100015204718_100000211926 [0,1,0,0,0,0|3,0,0]=4 1967 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [0,1,0,0,0,0|1,0,0]=2 1968 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [0,1,0,0,0,0|1,0,0]=2 1969 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,1,0,0,0,0|1,0,2]=4 1970 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,1,0,0,0,0|1,0,2]=4 1971 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,1,0,0,0,0|1,0,2]=4 1972 B11R1.25 C=CC(O)CSc1ccco1 62a_100000730141_100009814098 [0,1,0,0,0,0|1,0,2]=4 1973 B11R1.25 C=CC(O)CSc1ccco1 62a_100009814098_100000730141 [0,1,0,0,0,0|1,0,2]=4 1974 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,1,0,0,0,0|2,0,1]=4 1975 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,0,0|1,0,0]=2 1976 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,0,0|1,0,0]=2 1977 B11R1.25 CC(CF)OCc1ncco1 34a_100016041109_103436540062 [0,1,0,0,0,0|3,0,0]=4 1978 B11R1.25 CC(CF)OCc1ncco1 7a_100016041109_103436540062 [0,1,0,0,0,0|3,0,0]=4 1979 B11R1.25 CC(CN)OCc1ncco1 34a_100000210904_103436540062 [0,1,0,0,0,0|3,0,0]=4 1980 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,1,0,0,0,0|2,0,0]=3 1981 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,1,0,0,0,0|2,0,0]=3 1982 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,1,0,0,0,0|2,1,0]=4 1983 B11R1.25 CC(CO)NCc1ncco1 2230a_100016994969_100012180447 [0,1,0,0,0,0|3,0,0]=4 1984 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,1,0,0,0,0|2,0,0]=3 1985 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,1,0,0,0,0|2,1,0]=4 1986 B11R1.25 CC(CO)OCc1ccno1 34a_100000740478_100012180447 [0,1,0,0,0,0|3,0,0]=4 1987 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,1,0,0,0,0|3,0,0]=4 1988 B11R1.25 CC(CO)SCc1ncco1 62a_100012180447_103436540062 [0,1,0,0,0,0|3,0,0]=4 1989 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,0,0|2,0,1]=4 1990 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,1,0,0,0,0|2,0,1]=4 1991 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,0,0|1,0,1]=3 1992 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,0|0,0,1]=2 1993 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,0,0|0,1,1]=3 1994 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,0,0|0,1,1]=3 1995 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,1,0,0,0,0|2,0,1]=4 1996 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,1,0,0,0,0|2,0,1]=4 1997 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,1,0,0,0,0|1,1,1]=4 1998 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,1,0,0,0,0|1,1,1]=4 2000 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,1,0,0,0,0|2,0,1]=4 2001 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,1,0,0,0,0|2,0,1]=4 2002 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,1,0,0,0,0|2,0,1]=4 2003 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,1,0,0,0,0|2,0,1]=4 2004 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,1,0,0,0,0|1,0,1]=3 2005 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,1,0,0,0,0|1,0,1]=3 2006 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,1,0,0,0,0|1,1,1]=4 2007 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,1,0,0,0,0|1,1,1]=4 2008 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,1,0,0,0,0|2,0,1]=4 2009 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,1,0,0,0,0|2,0,1]=4 2010 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,1,0,0,0,0|2,0,1]=4 2011 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,1,0,0,0,0|2,0,1]=4 2012 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2013 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2014 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,1,0,0,0,0|2,0,1]=4 2015 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 2016 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 2017 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 2018 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,0,0,0|1,0,1]=3 2019 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 2020 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 2021 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 2022 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,1,0,0,0,0|1,1,1]=4 2023 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,1,0,0,0,0|2,0,1]=4 2024 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,1,0,0,0,0|2,0,1]=4 2025 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,1,0,0,0,0|2,0,1]=4 2026 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 2027 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 2028 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 2029 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,1,0,0,0,0|2,0,1]=4 2030 B11R1.25 CCC(C)COc1ccsc1 34a_100000106738_100000748023 [0,1,0,0,0,0|3,0,0]=4 2031 B11R1.25 CCC(C)COc1ccsc1 7a_100000106738_100000748023 [0,1,0,0,0,0|3,0,0]=4 2032 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000748023_100000756875 [0,1,0,0,0,0|3,0,0]=4 2033 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000756875_100000748023 [0,1,0,0,0,0|3,0,0]=4 2034 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000062575_100000748023 [0,1,0,0,0,0|3,0,0]=4 2035 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000748023_100000062575 [0,1,0,0,0,0|3,0,0]=4 2036 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,1,0,0,0,0|1,0,0]=2 2037 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,1,0,0,0,0|1,0,0]=2 2038 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [0,1,0,0,0,0|1,1,0]=3 2039 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [0,1,0,0,0,0|1,1,0]=3 2040 B11R1.25 CCC(C)CSc1ccoc1 62a_100000748023_100011215275 [0,1,0,0,0,0|3,0,0]=4 2041 B11R1.25 CCC(C)CSc1ccoc1 62a_100011215275_100000748023 [0,1,0,0,0,0|3,0,0]=4 2042 B11R1.25 CCC(C)CSc1ccon1 62a_100000748023_100009818083 [0,1,0,0,0,0|3,0,0]=4 2043 B11R1.25 CCC(C)CSc1ccon1 62a_100009818083_100000748023 [0,1,0,0,0,0|3,0,0]=4 2044 B11R1.25 CCC(C)CSc1ccsc1 62a_100000738268_100000748023 [0,1,0,0,0,0|3,0,0]=4 2045 B11R1.25 CCC(C)CSc1ccsc1 62a_100000748023_100000738268 [0,1,0,0,0,0|3,0,0]=4 2046 B11R1.25 CCC(C)CSc1ccsn1 62a_100000748023_100009818082 [0,1,0,0,0,0|3,0,0]=4 2047 B11R1.25 CCC(C)CSc1ccsn1 62a_100009818082_100000748023 [0,1,0,0,0,0|3,0,0]=4 2048 B11R1.25 CCC(C)CSc1cnco1 62a_100000748023_100020591547 [0,1,0,0,0,0|2,0,0]=3 2049 B11R1.25 CCC(C)CSc1cnco1 62a_100020591547_100000748023 [0,1,0,0,0,0|2,0,0]=3 2050 B11R1.25 CCC(C)CSc1cncs1 62a_100000748023_100011934649 [0,1,0,0,0,0|2,1,0]=4 2051 B11R1.25 CCC(C)CSc1cncs1 62a_100011934649_100000748023 [0,1,0,0,0,0|2,1,0]=4 2052 B11R1.25 CCC(C)CSc1cscn1 62a_100000748023_100000751502 [0,1,0,0,0,0|3,0,0]=4 2053 B11R1.25 CCC(C)CSc1cscn1 62a_100000751502_100000748023 [0,1,0,0,0,0|3,0,0]=4 2054 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100000748023_100025796157 [0,1,0,0,0,0|3,0,0]=4 2055 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100025796157_100000748023 [0,1,0,0,0,0|3,0,0]=4 2056 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [0,1,0,0,0,0|2,0,0]=3 2057 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [0,1,0,0,0,0|2,0,0]=3 2058 B11R1.25 CCC(C)CSc1nccs1 62a_100000211983_100000748023 [0,1,0,0,0,0|2,1,0]=4 2059 B11R1.25 CCC(C)CSc1nccs1 62a_100000748023_100000211983 [0,1,0,0,0,0|2,1,0]=4 2060 B11R1.25 CCC(C)NCc1c[nH]cn1 2230a_100000209981_100000707719 [0,1,0,0,0,0|3,0,0]=4 2061 B11R1.25 CCC(C)NCc1cc[nH]n1 207a_100000209981_100000738523 [0,1,0,0,0,0|3,0,0]=4 2062 B11R1.25 CCC(C)NCc1cc[nH]n1 270004a_100000209981_100000738523 [0,1,0,0,0,0|3,0,0]=4 2063 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,1,0,0,0,0|1,0,0]=2 2064 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,1,0,0,0,0|1,0,0]=2 2065 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,1,0,0,0,0|1,0,0]=2 2066 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,1,0,0,0,0|1,0,0]=2 2067 B11R1.25 CCC(C)NCc1cccs1 207a_100000209981_100000209959 [0,1,0,0,0,0|1,1,0]=3 2068 B11R1.25 CCC(C)NCc1cccs1 2230a_100000211653_100000758301 [0,1,0,0,0,0|1,1,0]=3 2069 B11R1.25 CCC(C)NCc1cccs1 270004a_100000209981_100000209959 [0,1,0,0,0,0|1,1,0]=3 2070 B11R1.25 CCC(C)NCc1ccn[nH]1 2230a_100000209981_100000728653 [0,1,0,0,0,0|3,0,0]=4 2071 B11R1.25 CCC(C)NCc1ccoc1 207a_100000209981_100011215517 [0,1,0,0,0,0|3,0,0]=4 2072 B11R1.25 CCC(C)NCc1ccoc1 2230a_100015206860_100000758301 [0,1,0,0,0,0|3,0,0]=4 2073 B11R1.25 CCC(C)NCc1ccoc1 270004a_100000209981_100011215517 [0,1,0,0,0,0|3,0,0]=4 2074 B11R1.25 CCC(C)NCc1ccoc1 34a_100015206860_100011215416 [0,1,0,0,0,0|3,0,0]=4 2075 B11R1.25 CCC(C)NCc1ccon1 2230a_100000209981_100000234950 [0,1,0,0,0,0|3,0,0]=4 2076 B11R1.25 CCC(C)NCc1ccsc1 207a_100000209981_100000188534 [0,1,0,0,0,0|3,0,0]=4 2077 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000186416_100000758301 [0,1,0,0,0,0|3,0,0]=4 2078 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000209981_100011261437 [0,1,0,0,0,0|3,0,0]=4 2079 B11R1.25 CCC(C)NCc1ccsc1 270004a_100000209981_100000188534 [0,1,0,0,0,0|3,0,0]=4 2080 B11R1.25 CCC(C)NCc1ccsc1 34a_100000186416_100011215416 [0,1,0,0,0,0|3,0,0]=4 2081 B11R1.25 CCC(C)NCc1cnc[nH]1 207a_100000209981_100000742939 [0,1,0,0,0,0|3,0,0]=4 2082 B11R1.25 CCC(C)NCc1cnco1 270004a_100000209981_100000064291 [0,1,0,0,0,0|2,0,0]=3 2083 B11R1.25 CCC(C)NCc1cncs1 207a_100000209981_100000749870 [0,1,0,0,0,0|2,1,0]=4 2084 B11R1.25 CCC(C)NCc1cncs1 2230a_100000209981_100015185245 [0,1,0,0,0,0|2,1,0]=4 2085 B11R1.25 CCC(C)NCc1cncs1 2230a_100016987365_100000758301 [0,1,0,0,0,0|2,1,0]=4 2086 B11R1.25 CCC(C)NCc1cncs1 270004a_100000209981_100000749870 [0,1,0,0,0,0|2,1,0]=4 2087 B11R1.25 CCC(C)NCc1cocn1 270004a_100000209981_100000050382 [0,1,0,0,0,0|3,0,0]=4 2088 B11R1.25 CCC(C)NCc1cscn1 207a_100000209981_100000743575 [0,1,0,0,0,0|3,0,0]=4 2089 B11R1.25 CCC(C)NCc1cscn1 2230a_100000209981_100000205941 [0,1,0,0,0,0|3,0,0]=4 2090 B11R1.25 CCC(C)NCc1cscn1 2230a_100015185402_100000758301 [0,1,0,0,0,0|3,0,0]=4 2091 B11R1.25 CCC(C)NCc1cscn1 270004a_100000209981_100000743575 [0,1,0,0,0,0|3,0,0]=4 2092 B11R1.25 CCC(C)NCc1ncc[nH]1 207a_100000209981_100000743867 [0,1,0,0,0,0|3,0,0]=4 2093 B11R1.25 CCC(C)NCc1ncc[nH]1 2230a_100000209981_100016991755 [0,1,0,0,0,0|3,0,0]=4 2094 B11R1.25 CCC(C)NCc1ncco1 2230a_100000209981_103436540062 [0,1,0,0,0,0|2,0,0]=3 2095 B11R1.25 CCC(C)NCc1ncco1 2230a_100016994969_100000758301 [0,1,0,0,0,0|2,0,0]=3 2096 B11R1.25 CCC(C)NCc1ncco1 270004a_100000209981_100000064290 [0,1,0,0,0,0|2,0,0]=3 2097 B11R1.25 CCC(C)NCc1nccs1 207a_100000209981_100000750902 [0,1,0,0,0,0|2,1,0]=4 2098 B11R1.25 CCC(C)NCc1nccs1 2230a_100000209981_100015184050 [0,1,0,0,0,0|2,1,0]=4 2099 B11R1.25 CCC(C)NCc1nccs1 2230a_100000740555_100000758301 [0,1,0,0,0,0|2,1,0]=4 2100 B11R1.25 CCC(C)NCc1nccs1 270004a_100000209981_100000750902 [0,1,0,0,0,0|2,1,0]=4 2101 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,1,0,0,0,0|1,0,0]=2 2102 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,1,0,0,0,0|1,1,0]=3 2103 B11R1.25 CCC(C)OCc1ccn[nH]1 7a_100000210228_100000728653 [0,1,0,0,0,0|3,0,0]=4 2104 B11R1.25 CCC(C)OCc1ccno1 34a_100000740478_100011215416 [0,1,0,0,0,0|2,0,0]=3 2105 B11R1.25 CCC(C)OCc1ccoc1 34a_100011215357_100011215416 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.25 CCC(C)OCc1ccon1 7a_100000210228_100000234950 [0,1,0,0,0,0|3,0,0]=4 2107 B11R1.25 CCC(C)OCc1ccsc1 34a_100011215551_100011215416 [0,1,0,0,0,0|3,0,0]=4 2108 B11R1.25 CCC(C)OCc1ccsc1 7a_100000210228_100011261437 [0,1,0,0,0,0|3,0,0]=4 2109 B11R1.25 CCC(C)OCc1cncs1 7a_100000210228_100015185245 [0,1,0,0,0,0|2,1,0]=4 2110 B11R1.25 CCC(C)OCc1cscn1 7a_100000210228_100000205941 [0,1,0,0,0,0|3,0,0]=4 2111 B11R1.25 CCC(C)OCc1ncc[nH]1 7a_100000210228_100000753453 [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,1,0,0,0,0|2,0,0]=3 2113 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,1,0,0,0,0|2,0,0]=3 2114 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,1,0,0,0,0|2,1,0]=4 2115 B11R1.25 CCC(C)OCn1cccn1 34a_100000731028_100011215416 [0,1,0,0,0,0|3,0,0]=4 2116 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000707719_100000758301 [0,1,0,0,0,0|3,0,0]=4 2117 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000758301_100000707719 [0,1,0,0,0,0|3,0,0]=4 2118 B11R1.25 CCC(C)SCc1ccn[nH]1 62a_100000728653_100000758301 [0,1,0,0,0,0|3,0,0]=4 2119 B11R1.25 CCC(C)SCc1ccn[nH]1 62a_100000758301_100000728653 [0,1,0,0,0,0|3,0,0]=4 2120 B11R1.25 CCC(C)SCc1ccon1 62a_100000234950_100000758301 [0,1,0,0,0,0|3,0,0]=4 2121 B11R1.25 CCC(C)SCc1ccon1 62a_100000758301_100000234950 [0,1,0,0,0,0|3,0,0]=4 2122 B11R1.25 CCC(C)SCc1ccsc1 62a_100000758301_100011233845 [0,1,0,0,0,0|3,0,0]=4 2123 B11R1.25 CCC(C)SCc1ccsc1 62a_100011261437_100000758301 [0,1,0,0,0,0|3,0,0]=4 2124 B11R1.25 CCC(C)SCc1cncs1 62a_100000758301_100015185245 [0,1,0,0,0,0|2,1,0]=4 2125 B11R1.25 CCC(C)SCc1cncs1 62a_100015185245_100000758301 [0,1,0,0,0,0|2,1,0]=4 2126 B11R1.25 CCC(C)SCc1cscn1 62a_100000205941_100000758301 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.25 CCC(C)SCc1cscn1 62a_100000758301_100000205941 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100000758301_100016991755 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100016991755_100000758301 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [0,1,0,0,0,0|2,0,0]=3 2131 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [0,1,0,0,0,0|2,0,0]=3 2132 B11R1.25 CCC(C)SCc1nccs1 62a_100000758301_100015184050 [0,1,0,0,0,0|2,1,0]=4 2133 B11R1.25 CCC(C)SCc1nccs1 62a_100015184050_100000758301 [0,1,0,0,0,0|2,1,0]=4 2134 B11R1.25 CCC(O)COc1ccsc1 34a_100000106738_100011218378 [0,1,0,0,0,0|3,0,0]=4 2135 B11R1.25 CCC(O)COc1ccsc1 7a_100000106738_100011218378 [0,1,0,0,0,0|3,0,0]=4 2136 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100000756875_100011218378 [0,1,0,0,0,0|3,0,0]=4 2137 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100011218378_100000756875 [0,1,0,0,0,0|3,0,0]=4 2138 B11R1.25 CCC(O)CSc1cc[nH]n1 62a_100000062575_100011218378 [0,1,0,0,0,0|3,0,0]=4 2139 B11R1.25 CCC(O)CSc1cc[nH]n1 62a_100011218378_100000062575 [0,1,0,0,0,0|3,0,0]=4 2140 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,1,0,0,0,0|1,0,0]=2 2141 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,1,0,0,0,0|1,0,0]=2 2142 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [0,1,0,0,0,0|1,1,0]=3 2143 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [0,1,0,0,0,0|1,1,0]=3 2144 B11R1.25 CCC(O)CSc1ccoc1 62a_100011215275_100011218378 [0,1,0,0,0,0|3,0,0]=4 2145 B11R1.25 CCC(O)CSc1ccoc1 62a_100011218378_100011215275 [0,1,0,0,0,0|3,0,0]=4 2146 B11R1.25 CCC(O)CSc1ccon1 62a_100009818083_100011218378 [0,1,0,0,0,0|3,0,0]=4 2147 B11R1.25 CCC(O)CSc1ccon1 62a_100011218378_100009818083 [0,1,0,0,0,0|3,0,0]=4 2148 B11R1.25 CCC(O)CSc1ccsc1 62a_100000738268_100011218378 [0,1,0,0,0,0|3,0,0]=4 2149 B11R1.25 CCC(O)CSc1ccsc1 62a_100011218378_100000738268 [0,1,0,0,0,0|3,0,0]=4 2150 B11R1.25 CCC(O)CSc1ccsn1 62a_100009818082_100011218378 [0,1,0,0,0,0|3,0,0]=4 2151 B11R1.25 CCC(O)CSc1ccsn1 62a_100011218378_100009818082 [0,1,0,0,0,0|3,0,0]=4 2152 B11R1.25 CCC(O)CSc1cnco1 62a_100011218378_100020591547 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.25 CCC(O)CSc1cnco1 62a_100020591547_100011218378 [0,1,0,0,0,0|2,0,0]=3 2154 B11R1.25 CCC(O)CSc1cncs1 62a_100011218378_100011934649 [0,1,0,0,0,0|2,1,0]=4 2155 B11R1.25 CCC(O)CSc1cncs1 62a_100011934649_100011218378 [0,1,0,0,0,0|2,1,0]=4 2156 B11R1.25 CCC(O)CSc1cscn1 62a_100000751502_100011218378 [0,1,0,0,0,0|3,0,0]=4 2157 B11R1.25 CCC(O)CSc1cscn1 62a_100011218378_100000751502 [0,1,0,0,0,0|3,0,0]=4 2158 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100011218378_100025796157 [0,1,0,0,0,0|3,0,0]=4 2159 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100025796157_100011218378 [0,1,0,0,0,0|3,0,0]=4 2160 B11R1.25 CCC(O)CSc1ncco1 62a_100011218378_100011787736 [0,1,0,0,0,0|2,0,0]=3 2161 B11R1.25 CCC(O)CSc1ncco1 62a_100011787736_100011218378 [0,1,0,0,0,0|2,0,0]=3 2162 B11R1.25 CCC(O)CSc1nccs1 62a_100000211983_100011218378 [0,1,0,0,0,0|2,1,0]=4 2163 B11R1.25 CCC(O)CSc1nccs1 62a_100011218378_100000211983 [0,1,0,0,0,0|2,1,0]=4 2164 B11R1.25 CCN(C)CCc1c[nH]cn1 2230a_100000225621_100020628418 [0,1,0,0,0,0|3,0,0]=4 2165 B11R1.25 CCN(C)CCc1c[nH]cn1 269982a_100000225621_100020628418 [0,1,0,0,0,0|3,0,0]=4 2166 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,1,0,0,0,0|1,1,0]=3 2167 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,1,0,0,0,0|1,1,0]=3 2168 B11R1.25 CCN(C)CCn1cccc1 2230a_100000225621_200009811947 [0,1,0,0,0,0|3,0,0]=4 2169 B11R1.25 CCN(C)CCn1cccc1 269982a_100000225621_200000035178 [0,1,0,0,0,0|3,0,0]=4 2170 B11R1.25 CCN(C)CCn1cccn1 2230a_100000225621_100000685285 [0,1,0,0,0,0|3,0,0]=4 2171 B11R1.25 CCN(C)CCn1cccn1 269982a_100000225621_100000685285 [0,1,0,0,0,0|3,0,0]=4 2172 B11R1.25 CC[C@H](C)COc1ccsc1 34a_100000106738_100009816398 [0,1,0,0,0,0|3,0,0]=4 2173 B11R1.25 CC[C@H](C)COc1ccsc1 7a_100000106738_100009816398 [0,1,0,0,0,0|3,0,0]=4 2174 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100000756875_100009816398 [0,1,0,0,0,0|3,0,0]=4 2175 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100009816398_100000756875 [0,1,0,0,0,0|3,0,0]=4 2176 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100000062575_100009816398 [0,1,0,0,0,0|3,0,0]=4 2177 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100009816398_100000062575 [0,1,0,0,0,0|3,0,0]=4 2178 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,1,0,0,0,0|1,0,0]=2 2179 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,1,0,0,0,0|1,0,0]=2 2180 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [0,1,0,0,0,0|1,1,0]=3 2181 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [0,1,0,0,0,0|1,1,0]=3 2182 B11R1.25 CC[C@H](C)CSc1ccoc1 62a_100009816398_100011215275 [0,1,0,0,0,0|3,0,0]=4 2183 B11R1.25 CC[C@H](C)CSc1ccoc1 62a_100011215275_100009816398 [0,1,0,0,0,0|3,0,0]=4 2184 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009816398_100009818083 [0,1,0,0,0,0|3,0,0]=4 2185 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009818083_100009816398 [0,1,0,0,0,0|3,0,0]=4 2186 B11R1.25 CC[C@H](C)CSc1ccsc1 62a_100000738268_100009816398 [0,1,0,0,0,0|3,0,0]=4 2187 B11R1.25 CC[C@H](C)CSc1ccsc1 62a_100009816398_100000738268 [0,1,0,0,0,0|3,0,0]=4 2188 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009816398_100009818082 [0,1,0,0,0,0|3,0,0]=4 2189 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009818082_100009816398 [0,1,0,0,0,0|3,0,0]=4 2190 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100009816398_100020591547 [0,1,0,0,0,0|2,0,0]=3 2191 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100020591547_100009816398 [0,1,0,0,0,0|2,0,0]=3 2192 B11R1.25 CC[C@H](C)CSc1cncs1 62a_100009816398_100011934649 [0,1,0,0,0,0|2,1,0]=4 2193 B11R1.25 CC[C@H](C)CSc1cncs1 62a_100011934649_100009816398 [0,1,0,0,0,0|2,1,0]=4 2194 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100000751502_100009816398 [0,1,0,0,0,0|3,0,0]=4 2195 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100009816398_100000751502 [0,1,0,0,0,0|3,0,0]=4 2196 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100009816398_100025796157 [0,1,0,0,0,0|3,0,0]=4 2197 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100025796157_100009816398 [0,1,0,0,0,0|3,0,0]=4 2198 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [0,1,0,0,0,0|2,0,0]=3 2199 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [0,1,0,0,0,0|2,0,0]=3 2200 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100000211983_100009816398 [0,1,0,0,0,0|2,1,0]=4 2201 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100009816398_100000211983 [0,1,0,0,0,0|2,1,0]=4 2202 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,0,0,0|2,0,1]=4 2203 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,0,0,0|2,0,1]=4 2204 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,0,0,0|2,0,1]=4 2205 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,0|1,0,1]=3 2206 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,0|1,0,1]=3 2207 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,0|1,0,1]=3 2208 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,0,0,0|1,1,1]=4 2209 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,0,0,0|1,1,1]=4 2210 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,0,0,0|1,1,1]=4 2211 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,0,0,0|1,1,1]=4 2212 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,1,0,0,0,0|2,0,1]=4 2213 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,1,0,0,0,0|2,0,1]=4 2214 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,0,0,0|2,0,1]=4 2215 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,0,0,0|2,0,1]=4 2216 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,0,0,0|2,0,1]=4 2217 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,0,0,0|2,0,1]=4 2218 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,0,0,0|2,0,1]=4 2219 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,0,0|1,0,0]=2 2220 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,0,0|1,0,0]=2 2221 B11R1.25 CNC(C)CCn1cccn1 270004a_106832991635_100000697638 [0,1,0,0,0,0|3,0,0]=4 2222 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,0,0|2,0,1]=4 2223 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,0,0|2,0,1]=4 2224 B11R1.25 COC(C)SCc1ncco1 62a_100009879195_103436540062 [0,1,0,0,0,0|3,0,0]=4 2225 B11R1.25 COC(C)SCc1ncco1 62a_103436540062_100009879195 [0,1,0,0,0,0|3,0,0]=4 2226 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,1,0,0,0,0|2,0,0]=3 2227 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,1,0,0,0,0|2,0,0]=3 2228 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100000059175_100011215356 [0,1,0,0,0,0|2,1,0]=4 2229 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100011215356_100000059175 [0,1,0,0,0,0|2,1,0]=4 2230 B11R1.25 C[C@@H](CO)CSc1cnco1 62a_100000059175_100020591547 [0,1,0,0,0,0|3,0,0]=4 2231 B11R1.25 C[C@@H](CO)CSc1cnco1 62a_100020591547_100000059175 [0,1,0,0,0,0|3,0,0]=4 2232 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100000059175_100011787736 [0,1,0,0,0,0|3,0,0]=4 2233 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100011787736_100000059175 [0,1,0,0,0,0|3,0,0]=4 2234 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,1,0,0,0,0|2,0,0]=3 2235 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,1,0,0,0,0|2,0,0]=3 2236 B11R1.25 C[C@H](CF)NCc1cccs1 207a_100102880703_100000209959 [0,1,0,0,0,0|2,1,0]=4 2237 B11R1.25 C[C@H](CF)NCc1cccs1 270004a_100102880703_100000209959 [0,1,0,0,0,0|2,1,0]=4 2238 B11R1.25 C[C@H](CF)NCc1cnco1 270004a_100102880703_100000064291 [0,1,0,0,0,0|3,0,0]=4 2239 B11R1.25 C[C@H](CF)NCc1ncco1 270004a_100102880703_100000064290 [0,1,0,0,0,0|3,0,0]=4 2240 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,1,0,0,0,0|2,0,0]=3 2241 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,1,0,0,0,0|2,0,0]=3 2242 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,1,0,0,0,0|2,1,0]=4 2243 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,1,0,0,0,0|2,1,0]=4 2244 B11R1.25 C[C@H](CO)NCc1cnco1 270004a_100000737577_100000064291 [0,1,0,0,0,0|3,0,0]=4 2245 B11R1.25 C[C@H](CO)NCc1ncco1 2230a_100000737577_103436540062 [0,1,0,0,0,0|3,0,0]=4 2246 B11R1.25 C[C@H](CO)NCc1ncco1 270004a_100000737577_100000064290 [0,1,0,0,0,0|3,0,0]=4 2247 B11R1.25 C[C@H](CO)SCc1ncco1 62a_100016084084_103436540062 [0,1,0,0,0,0|3,0,0]=4 2248 B11R1.25 C[C@H](CO)SCc1ncco1 62a_103436540062_100016084084 [0,1,0,0,0,0|3,0,0]=4 2249 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,0,0,0|2,0,1]=4 2250 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,0|1,0,1]=3 2251 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,0,0,0|1,1,1]=4 2252 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,0,0|1,1,1]=4 2253 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,0|2,0,1]=4 2254 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,0|2,0,1]=4 2255 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,1,0,0,0,0|2,0,0]=3 2256 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,1,0,0,0,0|2,0,0]=3 2257 B11R1.25 OCC(O)CSc1cccs1 62a_100011215356_100011219619 [0,1,0,0,0,0|2,1,0]=4 2258 B11R1.25 OCC(O)CSc1cccs1 62a_100011219619_100011215356 [0,1,0,0,0,0|2,1,0]=4 2259 B11R1.25 OCC(O)CSc1cnco1 62a_100011219619_100020591547 [0,1,0,0,0,0|3,0,0]=4 2260 B11R1.25 OCC(O)CSc1cnco1 62a_100020591547_100011219619 [0,1,0,0,0,0|3,0,0]=4 2261 B11R1.25 OCC(O)CSc1ncco1 62a_100011219619_100011787736 [0,1,0,0,0,0|3,0,0]=4 2262 B11R1.25 OCC(O)CSc1ncco1 62a_100011787736_100011219619 [0,1,0,0,0,0|3,0,0]=4 2263 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,1,0,0,0,0|2,0,0]=3 2264 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,1,0,0,0,0|2,0,0]=3 2265 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100009815848_100011215356 [0,1,0,0,0,0|2,1,0]=4 2266 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100011215356_100009815848 [0,1,0,0,0,0|2,1,0]=4 2267 B11R1.25 OC[C@H](O)CSc1cnco1 62a_100009815848_100020591547 [0,1,0,0,0,0|3,0,0]=4 2268 B11R1.25 OC[C@H](O)CSc1cnco1 62a_100020591547_100009815848 [0,1,0,0,0,0|3,0,0]=4 2269 B11R1.25 OC[C@H](O)CSc1ncco1 62a_100009815848_100011787736 [0,1,0,0,0,0|3,0,0]=4 2270 B11R1.25 OC[C@H](O)CSc1ncco1 62a_100011787736_100009815848 [0,1,0,0,0,0|3,0,0]=4 2271 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,1,0,0,0,0|2,0,0]=3 2272 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,1,0,0,0,0|2,0,0]=3 2273 B11R1.25 O[C@@H](CF)CSc1cccs1 62a_100011215356_100015614560 [0,1,0,0,0,0|2,1,0]=4 2274 B11R1.25 O[C@@H](CF)CSc1cccs1 62a_100015614560_100011215356 [0,1,0,0,0,0|2,1,0]=4 2275 B11R1.25 O[C@@H](CF)CSc1cnco1 62a_100015614560_100020591547 [0,1,0,0,0,0|3,0,0]=4 2276 B11R1.25 O[C@@H](CF)CSc1cnco1 62a_100020591547_100015614560 [0,1,0,0,0,0|3,0,0]=4 2277 B11R1.25 O[C@@H](CF)CSc1ncco1 62a_100011787736_100015614560 [0,1,0,0,0,0|3,0,0]=4 2278 B11R1.25 O[C@@H](CF)CSc1ncco1 62a_100015614560_100011787736 [0,1,0,0,0,0|3,0,0]=4 2279 B11R1.27 BrCCOCc1cc(cs1)Br 34a_100000211926_100000746031 [0,1,0,0,0,0|2,1,0]=4 2280 B11R1.27 BrCCOCc1ccc(s1)Br 34a_100000211926_100000708592 [0,1,0,0,0,0|2,1,0]=4 2281 B11R1.27 C#CCNCc1ccc(o1)Br 34a_100000708654_100000184674 [0,1,0,0,0,0|1,0,2]=4 2282 B11R1.27 C#CCNCc1ccc(o1)C 34a_100011194323_100000184674 [0,1,0,0,0,0|1,0,2]=4 2283 B11R1.27 C#CCOCc1ccc(o1)Br 34a_100000246276_100000184674 [0,1,0,0,0,0|1,0,2]=4 2284 B11R1.27 C#CCOCc1ccc(o1)Br 7a_100000246276_100000038162 [0,1,0,0,0,0|1,0,2]=4 2285 B11R1.27 C#CCOCc1ccc(o1)C 34a_100011232665_100000184674 [0,1,0,0,0,0|1,0,2]=4 2286 B11R1.27 C#CCOCc1ccc(o1)C 7a_100011232665_100000038162 [0,1,0,0,0,0|1,0,2]=4 2287 B11R1.27 C=CCNCc1cc(co1)Br 270004a_100020586998_100000747035 [0,1,0,0,0,0|1,0,2]=4 2288 B11R1.27 C=CCNCc1ccc(o1)Br 270004a_100020586998_100000185145 [0,1,0,0,0,0|1,0,2]=4 2289 B11R1.27 C=CCNCc1ccc(o1)Br 34a_100000708654_100015514636 [0,1,0,0,0,0|1,0,2]=4 2290 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [0,1,0,0,0,0|1,0,2]=4 2291 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [0,1,0,0,0,0|1,0,2]=4 2292 B11R1.27 C=CCNCc1ccc(o1)Cl 270004a_100020586998_100000188459 [0,1,0,0,0,0|1,0,2]=4 2293 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [0,1,0,0,0,0|1,0,2]=4 2294 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [0,1,0,0,0,0|1,0,2]=4 2295 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [0,1,0,0,0,0|1,0,2]=4 2296 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [0,1,0,0,0,0|1,0,2]=4 2297 B11R1.27 CCCC=Cc1cc(cs1)C 271570a_100016258520_100009876951 [0,1,0,0,0,0|0,1,2]=4 2298 B11R1.27 CCCC=Cc1ccc(s1)Br 271570a_100016258520_100010197418 [0,1,0,0,0,0|0,1,2]=4 2299 B11R1.27 CCCC=Cc1ccc(s1)C 271570a_100016258520_100000761539 [0,1,0,0,0,0|0,1,2]=4 2300 B11R1.27 CCCCCc1cn(nn1)C 274090a_200000210301_100000037682 [0,1,0,0,0,0|3,0,0]=4 2301 B11R1.27 CCCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000037682 [0,1,0,0,0,0|3,0,0]=4 2302 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,1,0,0,0,0|2,0,0]=3 2303 B11R1.27 CCCCCc1noc(n1)C 270196a_200011207956_100000070787 [0,1,0,0,0,0|3,0,0]=4 2304 B11R1.27 CCCCCc1noc(n1)O 270196a_200011207956_100015183105 [0,1,0,0,0,0|3,0,0]=4 2305 B11R1.27 CCCCCn1cc(nn1)C 274090a_100000210326_200000242740 [0,1,0,0,0,0|3,0,0]=4 2306 B11R1.27 CCCCNc1nnc(o1)C 27a_100000102301_100000708914 [0,1,0,0,0,0|3,0,0]=4 2307 B11R1.27 CCCCOc1ccn(n1)C 34a_100012642153_100000210210 [0,1,0,0,0,0|3,0,0]=4 2308 B11R1.27 CCCCSc1c[nH]c(n1)C 62a_100000210211_100009814057 [0,1,0,0,0,0|3,0,0]=4 2309 B11R1.27 CCCCSc1c[nH]c(n1)C 62a_100009814057_100000210210 [0,1,0,0,0,0|3,0,0]=4 2310 B11R1.27 CCCCSc1cc([nH]n1)C 62a_100000210211_100009819999 [0,1,0,0,0,0|3,0,0]=4 2311 B11R1.27 CCCCSc1cc([nH]n1)C 62a_100009819999_100000210210 [0,1,0,0,0,0|3,0,0]=4 2312 B11R1.27 CCCCSc1cc([nH]n1)N 62a_100000210211_100009822546 [0,1,0,0,0,0|3,0,0]=4 2313 B11R1.27 CCCCSc1cc([nH]n1)N 62a_100009822546_100000210210 [0,1,0,0,0,0|3,0,0]=4 2314 B11R1.27 CCCCSc1cc(cs1)C 62a_100000210211_100009876951 [0,1,0,0,0,0|1,1,0]=3 2315 B11R1.27 CCCCSc1cc(cs1)C 62a_100009876951_100000210210 [0,1,0,0,0,0|1,1,0]=3 2316 B11R1.27 CCCCSc1cc(n[nH]1)Br 62a_100000210211_100160470719 [0,1,0,0,0,0|3,0,0]=4 2317 B11R1.27 CCCCSc1cc(n[nH]1)Br 62a_100160470719_100000210210 [0,1,0,0,0,0|3,0,0]=4 2318 B11R1.27 CCCCSc1cc(ns1)C 62a_100000210211_100009815735 [0,1,0,0,0,0|2,1,0]=4 2319 B11R1.27 CCCCSc1cc(ns1)C 62a_100009815735_100000210210 [0,1,0,0,0,0|2,1,0]=4 2320 B11R1.27 CCCCSc1cc(on1)C 62a_100000210211_100000716708 [0,1,0,0,0,0|3,0,0]=4 2321 B11R1.27 CCCCSc1cc(on1)C 62a_100000716708_100000210210 [0,1,0,0,0,0|3,0,0]=4 2322 B11R1.27 CCCCSc1ccc(s1)Br 62a_100000210211_100010197418 [0,1,0,0,0,0|1,1,0]=3 2323 B11R1.27 CCCCSc1ccc(s1)Br 62a_100010197418_100000210210 [0,1,0,0,0,0|1,1,0]=3 2324 B11R1.27 CCCCSc1ccc(s1)C 62a_100000031368_100000210210 [0,1,0,0,0,0|1,1,0]=3 2325 B11R1.27 CCCCSc1ccc(s1)C 62a_100000210211_100000031368 [0,1,0,0,0,0|1,1,0]=3 2326 B11R1.27 CCCCSc1ccn(n1)C 62a_100000210211_100000752436 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.27 CCCCSc1ccn(n1)C 62a_100000752436_100000210210 [0,1,0,0,0,0|3,0,0]=4 2328 B11R1.27 CCCCSc1cn(cn1)C 62a_100000040308_100000210210 [0,1,0,0,0,0|3,0,0]=4 2329 B11R1.27 CCCCSc1cn(cn1)C 62a_100000210211_100000040308 [0,1,0,0,0,0|3,0,0]=4 2330 B11R1.27 CCCCSc1cnc(s1)Br 62a_100000210211_100012357534 [0,1,0,0,0,0|2,1,0]=4 2331 B11R1.27 CCCCSc1cnc(s1)Br 62a_100012357534_100000210210 [0,1,0,0,0,0|2,1,0]=4 2332 B11R1.27 CCCCSc1cnc(s1)C 62a_100000210211_100000764884 [0,1,0,0,0,0|2,1,0]=4 2333 B11R1.27 CCCCSc1cnc(s1)C 62a_100000764884_100000210210 [0,1,0,0,0,0|2,1,0]=4 2334 B11R1.27 CCCCSc1cnc(s1)N 62a_100000210211_100000718969 [0,1,0,0,0,0|2,1,0]=4 2335 B11R1.27 CCCCSc1cnc(s1)N 62a_100000718969_100000210210 [0,1,0,0,0,0|2,1,0]=4 2336 B11R1.27 CCCCSc1csc(c1)C 62a_100000210211_100000759034 [0,1,0,0,0,0|3,0,0]=4 2337 B11R1.27 CCCCSc1csc(c1)C 62a_100000759034_100000210210 [0,1,0,0,0,0|3,0,0]=4 2338 B11R1.27 CCCCSc1csc(n1)C 62a_100000210211_100011934587 [0,1,0,0,0,0|3,0,0]=4 2339 B11R1.27 CCCCSc1csc(n1)C 62a_100011934587_100000210210 [0,1,0,0,0,0|3,0,0]=4 2340 B11R1.27 CCCCSc1csc(n1)N 62a_100000210211_100011998049 [0,1,0,0,0,0|3,0,0]=4 2341 B11R1.27 CCCCSc1csc(n1)N 62a_100011998049_100000210210 [0,1,0,0,0,0|3,0,0]=4 2342 B11R1.27 CCCCSc1nc(c[nH]1)C 62a_100000210211_100161115468 [0,1,0,0,0,0|3,0,0]=4 2343 B11R1.27 CCCCSc1nc(c[nH]1)C 62a_100161115468_100000210210 [0,1,0,0,0,0|3,0,0]=4 2344 B11R1.27 CCCCSc1nc(cs1)Br 62a_100000210211_200016082925 [0,1,0,0,0,0|2,1,0]=4 2345 B11R1.27 CCCCSc1nc(cs1)Br 62a_200016082925_100000210210 [0,1,0,0,0,0|2,1,0]=4 2346 B11R1.27 CCCCSc1nc(cs1)C 62a_100000210211_100011291629 [0,1,0,0,0,0|2,1,0]=4 2347 B11R1.27 CCCCSc1nc(cs1)C 62a_100011291629_100000210210 [0,1,0,0,0,0|2,1,0]=4 2348 B11R1.27 CCCCSc1nc(cs1)N 62a_100000210211_200015188442 [0,1,0,0,0,0|2,1,0]=4 2349 B11R1.27 CCCCSc1nc(cs1)N 62a_200015188442_100000210210 [0,1,0,0,0,0|2,1,0]=4 2350 B11R1.27 CCCCSc1ncc(s1)C 62a_100000210211_100000690809 [0,1,0,0,0,0|2,1,0]=4 2351 B11R1.27 CCCCSc1ncc(s1)C 62a_100000690809_100000210210 [0,1,0,0,0,0|2,1,0]=4 2352 B11R1.27 CCCCSc1nnc(o1)C 62a_100000210211_100000708914 [0,1,0,0,0,0|3,0,0]=4 2353 B11R1.27 CCCNCc1c[nH]c(n1)C 207a_100020643023_100011219055 [0,1,0,0,0,0|3,0,0]=4 2354 B11R1.27 CCCNCc1cc(c[nH]1)Br 270004a_100020643023_100000720742 [0,1,0,0,0,0|2,0,0]=3 2355 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [0,1,0,0,0,0|1,0,0]=2 2356 B11R1.27 CCCNCc1cc(cs1)Br 207a_100020643023_100000211722 [0,1,0,0,0,0|1,1,0]=3 2357 B11R1.27 CCCNCc1cc(cs1)Br 2230a_100000741024_100000210303 [0,1,0,0,0,0|1,1,0]=3 2358 B11R1.27 CCCNCc1cc(cs1)Br 270004a_100020643023_100000211722 [0,1,0,0,0,0|1,1,0]=3 2359 B11R1.27 CCCNCc1cc(cs1)Br 34a_100000741024_100000210303 [0,1,0,0,0,0|1,1,0]=3 2360 B11R1.27 CCCNCc1cc(cs1)C 207a_100020643023_100102525248 [0,1,0,0,0,0|1,1,0]=3 2361 B11R1.27 CCCNCc1cc(cs1)C 2230a_100015204214_100000210303 [0,1,0,0,0,0|1,1,0]=3 2362 B11R1.27 CCCNCc1cc(cs1)C 270004a_100020643023_100102525248 [0,1,0,0,0,0|1,1,0]=3 2363 B11R1.27 CCCNCc1cc(cs1)C 34a_100015204214_100000210303 [0,1,0,0,0,0|1,1,0]=3 2364 B11R1.27 CCCNCc1cc(cs1)Cl 207a_100020643023_100000102487 [0,1,0,0,0,0|1,1,0]=3 2365 B11R1.27 CCCNCc1cc(cs1)Cl 270004a_100020643023_100000102487 [0,1,0,0,0,0|1,1,0]=3 2366 B11R1.27 CCCNCc1cc(cs1)I 207a_100020643023_100010179861 [0,1,0,0,0,0|1,1,0]=3 2367 B11R1.27 CCCNCc1cc(n[nH]1)C 207a_100020643023_100000028150 [0,1,0,0,0,0|3,0,0]=4 2368 B11R1.27 CCCNCc1cc(n[nH]1)C 270004a_100020643023_100000028150 [0,1,0,0,0,0|3,0,0]=4 2369 B11R1.27 CCCNCc1cc(no1)Br 2230a_100015193020_100000210303 [0,1,0,0,0,0|2,0,0]=3 2370 B11R1.27 CCCNCc1cc(no1)Br 270004a_100020643023_100009819588 [0,1,0,0,0,0|2,0,0]=3 2371 B11R1.27 CCCNCc1cc(no1)Br 34a_100015193020_100000210303 [0,1,0,0,0,0|2,0,0]=3 2372 B11R1.27 CCCNCc1cc(no1)C 207a_100020643023_100011794430 [0,1,0,0,0,0|2,0,0]=3 2373 B11R1.27 CCCNCc1cc(no1)C 2230a_100000745748_100000210303 [0,1,0,0,0,0|2,0,0]=3 2374 B11R1.27 CCCNCc1cc(no1)C 270004a_100020643023_100011794430 [0,1,0,0,0,0|2,0,0]=3 2375 B11R1.27 CCCNCc1cc(no1)C 34a_100000745748_100000210303 [0,1,0,0,0,0|2,0,0]=3 2376 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [0,1,0,0,0,0|3,0,0]=4 2377 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [0,1,0,0,0,0|3,0,0]=4 2378 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [0,1,0,0,0,0|3,0,0]=4 2379 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [0,1,0,0,0,0|3,0,0]=4 2380 B11R1.27 CCCNCc1cc(sn1)C 207a_100020643023_200000100279 [0,1,0,0,0,0|3,0,0]=4 2381 B11R1.27 CCCNCc1cc(sn1)C 270004a_100020643023_200000100279 [0,1,0,0,0,0|3,0,0]=4 2382 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [0,1,0,0,0,0|1,0,0]=2 2383 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [0,1,0,0,0,0|1,0,0]=2 2384 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [0,1,0,0,0,0|1,0,0]=2 2385 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,1,0,0,0,0|1,0,0]=2 2386 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,1,0,0,0,0|1,0,0]=2 2387 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,1,0,0,0,0|1,0,0]=2 2388 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [0,1,0,0,0,0|1,0,0]=2 2389 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [0,1,0,0,0,0|1,0,0]=2 2390 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [0,1,0,0,0,0|1,0,0]=2 2391 B11R1.27 CCCNCc1ccc(s1)Br 207a_100020643023_100000179771 [0,1,0,0,0,0|1,1,0]=3 2392 B11R1.27 CCCNCc1ccc(s1)Br 270004a_100020643023_100000179771 [0,1,0,0,0,0|1,1,0]=3 2393 B11R1.27 CCCNCc1ccc(s1)C 207a_100020643023_100000211121 [0,1,0,0,0,0|1,1,0]=3 2394 B11R1.27 CCCNCc1ccc(s1)C 2230a_100000238518_100000210303 [0,1,0,0,0,0|1,1,0]=3 2395 B11R1.27 CCCNCc1ccc(s1)C 270004a_100020643023_100000211121 [0,1,0,0,0,0|1,1,0]=3 2396 B11R1.27 CCCNCc1ccc(s1)Cl 207a_100020643023_100000242774 [0,1,0,0,0,0|1,1,0]=3 2397 B11R1.27 CCCNCc1ccc(s1)Cl 2230a_100000737310_100000210303 [0,1,0,0,0,0|1,1,0]=3 2398 B11R1.27 CCCNCc1ccc(s1)Cl 270004a_100020643023_100000242774 [0,1,0,0,0,0|1,1,0]=3 2399 B11R1.27 CCCNCc1ccn(n1)C 207a_100020643023_100000750880 [0,1,0,0,0,0|3,0,0]=4 2400 B11R1.27 CCCNCc1ccn(n1)C 2230a_100020636201_100000210303 [0,1,0,0,0,0|3,0,0]=4 2401 B11R1.27 CCCNCc1ccn(n1)C 270004a_100020643023_100000750880 [0,1,0,0,0,0|3,0,0]=4 2402 B11R1.27 CCCNCc1ccn(n1)C 34a_100020636201_100000210303 [0,1,0,0,0,0|3,0,0]=4 2403 B11R1.27 CCCNCc1cn(cn1)C 207a_100020643023_100000684808 [0,1,0,0,0,0|3,0,0]=4 2404 B11R1.27 CCCNCc1cn(cn1)C 270004a_100020643023_100000684808 [0,1,0,0,0,0|3,0,0]=4 2405 B11R1.27 CCCNCc1cnc(o1)C 207a_100020643023_100000084308 [0,1,0,0,0,0|2,0,0]=3 2406 B11R1.27 CCCNCc1cnc(o1)C 270004a_100020643023_100000084308 [0,1,0,0,0,0|2,0,0]=3 2407 B11R1.27 CCCNCc1cnc(s1)Br 2230a_100000726991_100000210303 [0,1,0,0,0,0|2,1,0]=4 2408 B11R1.27 CCCNCc1cnc(s1)Br 270004a_100020643023_100009814069 [0,1,0,0,0,0|2,1,0]=4 2409 B11R1.27 CCCNCc1cnc(s1)C 207a_100020643023_100000740557 [0,1,0,0,0,0|2,1,0]=4 2410 B11R1.27 CCCNCc1cnc(s1)C 2230a_200000743601_100000210303 [0,1,0,0,0,0|2,1,0]=4 2411 B11R1.27 CCCNCc1cnc(s1)C 270004a_100020643023_100000740557 [0,1,0,0,0,0|2,1,0]=4 2412 B11R1.27 CCCNCc1cnc(s1)Cl 2230a_100000726635_100000210303 [0,1,0,0,0,0|2,1,0]=4 2413 B11R1.27 CCCNCc1cnc(s1)Cl 270004a_100020643023_100000696999 [0,1,0,0,0,0|2,1,0]=4 2414 B11R1.27 CCCNCc1coc(n1)C 207a_100020643023_100011361629 [0,1,0,0,0,0|3,0,0]=4 2415 B11R1.27 CCCNCc1coc(n1)C 270004a_100020643023_100011361629 [0,1,0,0,0,0|3,0,0]=4 2416 B11R1.27 CCCNCc1csc(c1)Br 207a_100020643023_100000737087 [0,1,0,0,0,0|3,0,0]=4 2417 B11R1.27 CCCNCc1csc(c1)Br 270004a_100020643023_100000737087 [0,1,0,0,0,0|3,0,0]=4 2418 B11R1.27 CCCNCc1csc(c1)C 207a_100020643023_100011998532 [0,1,0,0,0,0|3,0,0]=4 2419 B11R1.27 CCCNCc1csc(c1)C 270004a_100020643023_100011998532 [0,1,0,0,0,0|3,0,0]=4 2420 B11R1.27 CCCNCc1csc(c1)Cl 207a_100020643023_100009844934 [0,1,0,0,0,0|3,0,0]=4 2421 B11R1.27 CCCNCc1csc(c1)Cl 270004a_100020643023_100009844934 [0,1,0,0,0,0|3,0,0]=4 2422 B11R1.27 CCCNCc1csc(n1)Br 270004a_100020643023_100009816748 [0,1,0,0,0,0|3,0,0]=4 2423 B11R1.27 CCCNCc1csc(n1)C 207a_100020643023_100000203724 [0,1,0,0,0,0|3,0,0]=4 2424 B11R1.27 CCCNCc1csc(n1)C 270004a_100020643023_100000203724 [0,1,0,0,0,0|3,0,0]=4 2425 B11R1.27 CCCNCc1csc(n1)C 34a_100000707933_100000210303 [0,1,0,0,0,0|3,0,0]=4 2426 B11R1.27 CCCNCc1csc(n1)Cl 270004a_100020643023_100011935135 [0,1,0,0,0,0|3,0,0]=4 2427 B11R1.27 CCCNCc1nc(c[nH]1)C 207a_100020643023_100000082322 [0,1,0,0,0,0|3,0,0]=4 2428 B11R1.27 CCCNCc1nc(c[nH]1)C 270004a_100020643023_100000082322 [0,1,0,0,0,0|3,0,0]=4 2429 B11R1.27 CCCNCc1nc(cs1)Br 270004a_100020643023_100009816814 [0,1,0,0,0,0|2,1,0]=4 2430 B11R1.27 CCCNCc1nc(cs1)C 207a_100020643023_100000756994 [0,1,0,0,0,0|2,1,0]=4 2431 B11R1.27 CCCNCc1nc(cs1)C 2230a_100015183719_100000210303 [0,1,0,0,0,0|2,1,0]=4 2432 B11R1.27 CCCNCc1nc(cs1)C 270004a_100020643023_100000756994 [0,1,0,0,0,0|2,1,0]=4 2433 B11R1.27 CCCNCc1ncc(o1)C 2230a_100138411809_100000210303 [0,1,0,0,0,0|2,0,0]=3 2434 B11R1.27 CCCNCc1ncc(o1)C 34a_100138411809_100000210303 [0,1,0,0,0,0|2,0,0]=3 2435 B11R1.27 CCCNCc1ncc(s1)Br 270004a_100020643023_100000699580 [0,1,0,0,0,0|2,1,0]=4 2436 B11R1.27 CCCNCc1ncc(s1)C 207a_100020643023_100011361622 [0,1,0,0,0,0|2,1,0]=4 2437 B11R1.27 CCCNCc1ncc(s1)C 270004a_100020643023_100011361622 [0,1,0,0,0,0|2,1,0]=4 2438 B11R1.27 CCCNCc1ncc(s1)Cl 270004a_100020643023_100000699884 [0,1,0,0,0,0|2,1,0]=4 2439 B11R1.27 CCCNCc1nnc(o1)C 2230a_200000236979_100000210303 [0,1,0,0,0,0|3,0,0]=4 2440 B11R1.27 CCCNCc1nnc(o1)C 34a_200000236979_100000210303 [0,1,0,0,0,0|3,0,0]=4 2441 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,1,0,0,0,0|3,0,0]=4 2442 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000210258_100000746031 [0,1,0,0,0,0|1,1,0]=3 2443 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000238369_100000210303 [0,1,0,0,0,0|1,1,0]=3 2444 B11R1.27 CCCOCc1cc(cs1)Br 7a_100000238369_100000210303 [0,1,0,0,0,0|1,1,0]=3 2445 B11R1.27 CCCOCc1cc(cs1)C 34a_200000068372_100000210303 [0,1,0,0,0,0|1,1,0]=3 2446 B11R1.27 CCCOCc1cc(cs1)C 7a_200000068372_100000210303 [0,1,0,0,0,0|1,1,0]=3 2447 B11R1.27 CCCOCc1cc(no1)Br 34a_100009816691_100000210303 [0,1,0,0,0,0|2,0,0]=3 2448 B11R1.27 CCCOCc1cc(no1)C 34a_100000210258_100000707947 [0,1,0,0,0,0|2,0,0]=3 2449 B11R1.27 CCCOCc1cc(no1)C 34a_100000684692_100000210303 [0,1,0,0,0,0|2,0,0]=3 2450 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [0,1,0,0,0,0|3,0,0]=4 2451 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [0,1,0,0,0,0|3,0,0]=4 2452 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [0,1,0,0,0,0|1,0,0]=2 2453 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [0,1,0,0,0,0|1,0,0]=2 2454 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,1,0,0,0,0|1,0,0]=2 2455 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,1,0,0,0,0|1,0,0]=2 2456 B11R1.27 CCCOCc1ccc(s1)Br 34a_100000210258_100000708592 [0,1,0,0,0,0|1,1,0]=3 2457 B11R1.27 CCCOCc1ccc(s1)C 34a_100000238367_100000210303 [0,1,0,0,0,0|1,1,0]=3 2458 B11R1.27 CCCOCc1ccc(s1)Cl 34a_100000210258_100000185097 [0,1,0,0,0,0|1,1,0]=3 2459 B11R1.27 CCCOCc1ccn(n1)C 34a_100000210258_100000726502 [0,1,0,0,0,0|3,0,0]=4 2460 B11R1.27 CCCOCc1ccn(n1)C 34a_100000744484_100000210303 [0,1,0,0,0,0|3,0,0]=4 2461 B11R1.27 CCCOCc1cn(cn1)C 34a_100000210258_100000717665 [0,1,0,0,0,0|3,0,0]=4 2462 B11R1.27 CCCOCc1cn(cn1)C 34a_100000710007_100000210303 [0,1,0,0,0,0|3,0,0]=4 2463 B11R1.27 CCCOCc1cnc(s1)Br 34a_100000210258_100000717027 [0,1,0,0,0,0|2,1,0]=4 2464 B11R1.27 CCCOCc1cnc(s1)Br 7a_100009816753_100000210303 [0,1,0,0,0,0|2,1,0]=4 2465 B11R1.27 CCCOCc1cnc(s1)C 34a_100000210258_100020635045 [0,1,0,0,0,0|2,1,0]=4 2466 B11R1.27 CCCOCc1cnc(s1)C 7a_100000743366_100000210303 [0,1,0,0,0,0|2,1,0]=4 2467 B11R1.27 CCCOCc1cnc(s1)Cl 34a_100000210258_100000058068 [0,1,0,0,0,0|2,1,0]=4 2468 B11R1.27 CCCOCc1cnc(s1)Cl 7a_100000697714_100000210303 [0,1,0,0,0,0|2,1,0]=4 2469 B11R1.27 CCCOCc1cnc(s1)N 7a_100011997359_100000210303 [0,1,0,0,0,0|2,1,0]=4 2470 B11R1.27 CCCOCc1coc(n1)C 34a_100012017233_100000210303 [0,1,0,0,0,0|3,0,0]=4 2471 B11R1.27 CCCOCc1csc(c1)Cl 34a_100009863405_100000210303 [0,1,0,0,0,0|3,0,0]=4 2472 B11R1.27 CCCOCc1csc(c1)Cl 7a_100009863405_100000210303 [0,1,0,0,0,0|3,0,0]=4 2473 B11R1.27 CCCOCc1csc(n1)C 34a_100000210258_100015186478 [0,1,0,0,0,0|3,0,0]=4 2474 B11R1.27 CCCOCc1csc(n1)C 34a_100000735831_100000210303 [0,1,0,0,0,0|3,0,0]=4 2475 B11R1.27 CCCOCc1csc(n1)Cl 34a_100000210258_100000024076 [0,1,0,0,0,0|3,0,0]=4 2476 B11R1.27 CCCOCc1nc(cs1)Br 7a_100012000107_100000210303 [0,1,0,0,0,0|2,1,0]=4 2477 B11R1.27 CCCOCc1nc(no1)C 270196a_100000212224_100000745993 [0,1,0,0,0,0|3,0,0]=4 2478 B11R1.27 CCCOCc1nc(no1)C 34a_100000210258_100000735555 [0,1,0,0,0,0|3,0,0]=4 2479 B11R1.27 CCCOCc1nc(no1)C 34a_100000749583_100000210303 [0,1,0,0,0,0|3,0,0]=4 2480 B11R1.27 CCCOCc1nnc(o1)C 34a_100000749586_100000210303 [0,1,0,0,0,0|3,0,0]=4 2481 B11R1.27 CCCOCn1cc(cn1)Cl 34a_100000732729_100000210303 [0,1,0,0,0,0|3,0,0]=4 2482 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,1,0,0,0,0|3,0,0]=4 2483 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,1,0,0,0,0|3,0,0]=4 2484 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000210303_100000746031 [0,1,0,0,0,0|1,1,0]=3 2485 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000746031_100000210303 [0,1,0,0,0,0|1,1,0]=3 2486 B11R1.27 CCCSCc1cc(no1)Br 62a_100000210303_100000709089 [0,1,0,0,0,0|2,0,0]=3 2487 B11R1.27 CCCSCc1cc(no1)Br 62a_100000709089_100000210303 [0,1,0,0,0,0|2,0,0]=3 2488 B11R1.27 CCCSCc1cc(no1)C 62a_100000210303_100000707947 [0,1,0,0,0,0|2,0,0]=3 2489 B11R1.27 CCCSCc1cc(no1)C 62a_100000707947_100000210303 [0,1,0,0,0,0|2,0,0]=3 2490 B11R1.27 CCCSCc1cc(on1)C 62a_100000199038_100000210303 [0,1,0,0,0,0|3,0,0]=4 2491 B11R1.27 CCCSCc1cc(on1)C 62a_100000210303_100000199038 [0,1,0,0,0,0|3,0,0]=4 2492 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000210303_100000708592 [0,1,0,0,0,0|1,1,0]=3 2493 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000708592_100000210303 [0,1,0,0,0,0|1,1,0]=3 2494 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000185097_100000210303 [0,1,0,0,0,0|1,1,0]=3 2495 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000210303_100000185097 [0,1,0,0,0,0|1,1,0]=3 2496 B11R1.27 CCCSCc1ccn(n1)C 62a_100000210303_100000726502 [0,1,0,0,0,0|3,0,0]=4 2497 B11R1.27 CCCSCc1ccn(n1)C 62a_100000726502_100000210303 [0,1,0,0,0,0|3,0,0]=4 2498 B11R1.27 CCCSCc1cn(cn1)C 62a_100000210303_100000717665 [0,1,0,0,0,0|3,0,0]=4 2499 B11R1.27 CCCSCc1cn(cn1)C 62a_100000717665_100000210303 [0,1,0,0,0,0|3,0,0]=4 2500 B11R1.27 CCCSCc1cnc(s1)Br 62a_100000210303_100000717027 [0,1,0,0,0,0|2,1,0]=4 2501 B11R1.27 CCCSCc1cnc(s1)Br 62a_100000717027_100000210303 [0,1,0,0,0,0|2,1,0]=4 2502 B11R1.27 CCCSCc1cnc(s1)C 62a_100000210303_100020635045 [0,1,0,0,0,0|2,1,0]=4 2503 B11R1.27 CCCSCc1cnc(s1)C 62a_100020635045_100000210303 [0,1,0,0,0,0|2,1,0]=4 2504 B11R1.27 CCCSCc1cnc(s1)Cl 62a_100000058068_100000210303 [0,1,0,0,0,0|2,1,0]=4 2505 B11R1.27 CCCSCc1cnc(s1)Cl 62a_100000210303_100000058068 [0,1,0,0,0,0|2,1,0]=4 2506 B11R1.27 CCCSCc1csc(n1)C 62a_100000210303_100015186478 [0,1,0,0,0,0|3,0,0]=4 2507 B11R1.27 CCCSCc1csc(n1)C 62a_100015186478_100000210303 [0,1,0,0,0,0|3,0,0]=4 2508 B11R1.27 CCCSCc1csc(n1)Cl 62a_100000024076_100000210303 [0,1,0,0,0,0|3,0,0]=4 2509 B11R1.27 CCCSCc1csc(n1)Cl 62a_100000210303_100000024076 [0,1,0,0,0,0|3,0,0]=4 2510 B11R1.27 CCCSCc1nc(no1)C 270196a_100000212224_100000217233 [0,1,0,0,0,0|3,0,0]=4 2511 B11R1.27 CCCSCc1nc(no1)C 62a_100000210303_100000735555 [0,1,0,0,0,0|3,0,0]=4 2512 B11R1.27 CCCSCc1nc(no1)C 62a_100000735555_100000210303 [0,1,0,0,0,0|3,0,0]=4 2513 B11R1.27 CCCSCc1nnc(o1)C 62a_100000181450_100000210303 [0,1,0,0,0,0|3,0,0]=4 2514 B11R1.27 CCCSCc1nnc(o1)C 62a_100000210303_100000181450 [0,1,0,0,0,0|3,0,0]=4 2515 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,1,0,0,0,0|1,0,0]=2 2516 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,1,0,0,0,0|1,0,0]=2 2517 B11R1.27 CCNCCc1ccc(s1)Br 2230a_100000217605_100000210202 [0,1,0,0,0,0|1,1,0]=3 2518 B11R1.27 CCNCCc1csc(n1)C 2230a_100015525214_100000695623 [0,1,0,0,0,0|3,0,0]=4 2519 B11R1.27 CCNCCc1csc(n1)C 2230a_102495365028_100000210202 [0,1,0,0,0,0|3,0,0]=4 2520 B11R1.27 CCNCCc1csc(n1)C 34a_102495365028_100000210202 [0,1,0,0,0,0|3,0,0]=4 2521 B11R1.27 CCNCCc1nc(cs1)C 2230a_100000736835_100000210202 [0,1,0,0,0,0|2,1,0]=4 2522 B11R1.27 CCNCCc1nc(no1)C 34a_100000747544_100000210202 [0,1,0,0,0,0|3,0,0]=4 2523 B11R1.27 CCNCCn1cc(cn1)Br 2230a_100000730845_100000210202 [0,1,0,0,0,0|3,0,0]=4 2524 B11R1.27 CCNCCn1cc(cn1)Br 34a_100000730845_100000210202 [0,1,0,0,0,0|3,0,0]=4 2525 B11R1.27 CCNCCn1cc(cn1)Cl 2230a_100015525214_100011353933 [0,1,0,0,0,0|3,0,0]=4 2526 B11R1.27 CCNCCn1cc(cn1)Cl 34a_200000238484_100000210202 [0,1,0,0,0,0|3,0,0]=4 2527 B11R1.27 CCNCCn1ccc(n1)C 2230a_100015525214_200011934056 [0,1,0,0,0,0|3,0,0]=4 2528 B11R1.27 CCNN=Cc1cc(co1)Br 4a_100000756455_100000747035 [0,1,0,0,0,0|2,0,1]=4 2529 B11R1.27 CCNN=Cc1ccc(o1)Br 4a_100000756455_100000185145 [0,1,0,0,0,0|2,0,1]=4 2530 B11R1.27 CCNN=Cc1ccc(o1)C 4a_100000756455_100000183696 [0,1,0,0,0,0|2,0,1]=4 2531 B11R1.27 CCNN=Cc1ccc(o1)Cl 4a_100000756455_100000188459 [0,1,0,0,0,0|2,0,1]=4 2532 B11R1.27 CCNN=Cc1ccc(o1)I 4a_100000756455_100000186757 [0,1,0,0,0,0|2,0,1]=4 2533 B11R1.27 CCOCCc1cc(no1)Br 34a_100009816916_100000210202 [0,1,0,0,0,0|2,0,0]=3 2534 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,1,0,0,0,0|1,0,0]=2 2535 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,1,0,0,0,0|1,0,0]=2 2536 B11R1.27 CCOCCc1cnc(s1)N 7a_100000124125_100000210202 [0,1,0,0,0,0|2,1,0]=4 2537 B11R1.27 CCOCCc1csc(n1)C 34a_100011934828_100000210202 [0,1,0,0,0,0|3,0,0]=4 2538 B11R1.27 CCOCCc1csc(n1)C 34a_100121572206_100000695623 [0,1,0,0,0,0|3,0,0]=4 2539 B11R1.27 CCOCCc1nc(no1)C 270196a_100000212224_100000749530 [0,1,0,0,0,0|3,0,0]=4 2540 B11R1.27 CCOCCn1cc(cn1)Br 34a_100011236722_100000210202 [0,1,0,0,0,0|3,0,0]=4 2541 B11R1.27 CCOCCn1cc(cn1)C 34a_100011363705_100000210202 [0,1,0,0,0,0|3,0,0]=4 2542 B11R1.27 CCOCCn1cc(cn1)Cl 34a_100011398116_100000210202 [0,1,0,0,0,0|3,0,0]=4 2543 B11R1.27 CCOCCn1cc(cn1)I 34a_100012072722_100000210202 [0,1,0,0,0,0|3,0,0]=4 2544 B11R1.27 CCOCCn1cc(cn1)N 34a_100000743930_100000210202 [0,1,0,0,0,0|3,0,0]=4 2545 B11R1.27 CCOCCn1ccc(n1)Br 34a_200010732121_100000210202 [0,1,0,0,0,0|3,0,0]=4 2546 B11R1.27 CCOCCn1ccc(n1)N 34a_100000752724_100000210202 [0,1,0,0,0,0|3,0,0]=4 2547 B11R1.27 CCOCSc1cc(cs1)C 62a_100000739092_100009876951 [0,1,0,0,0,0|2,1,0]=4 2548 B11R1.27 CCOCSc1cc(cs1)C 62a_100009876951_100000739092 [0,1,0,0,0,0|2,1,0]=4 2549 B11R1.27 CCOCSc1ccc(s1)Br 62a_100000739092_100010197418 [0,1,0,0,0,0|2,1,0]=4 2550 B11R1.27 CCOCSc1ccc(s1)Br 62a_100010197418_100000739092 [0,1,0,0,0,0|2,1,0]=4 2551 B11R1.27 CCOCSc1ccc(s1)C 62a_100000031368_100000739092 [0,1,0,0,0,0|2,1,0]=4 2552 B11R1.27 CCOCSc1ccc(s1)C 62a_100000739092_100000031368 [0,1,0,0,0,0|2,1,0]=4 2553 B11R1.27 CCSCCc1csc(n1)C 62a_100000210202_100000695623 [0,1,0,0,0,0|3,0,0]=4 2554 B11R1.27 CCSCCc1csc(n1)C 62a_100000695623_100000210202 [0,1,0,0,0,0|3,0,0]=4 2555 B11R1.27 CCSCCc1nc(no1)C 270196a_100000212224_100000230768 [0,1,0,0,0,0|3,0,0]=4 2556 B11R1.27 CCSCCn1cc(cn1)Cl 62a_100000210202_100011353933 [0,1,0,0,0,0|3,0,0]=4 2557 B11R1.27 CCSCCn1cc(cn1)Cl 62a_100011353933_100000210202 [0,1,0,0,0,0|3,0,0]=4 2558 B11R1.27 CCSCCn1ccc(n1)C 62a_100000210202_200011934056 [0,1,0,0,0,0|3,0,0]=4 2559 B11R1.27 CCSCCn1ccc(n1)C 62a_200011934056_100000210202 [0,1,0,0,0,0|3,0,0]=4 2560 B11R1.27 CNCCCc1nc(cs1)C 2230a_100000749783_200000210301 [0,1,0,0,0,0|2,1,0]=4 2561 B11R1.27 CNCCCc1nc(no1)C 34a_100000750606_200000210301 [0,1,0,0,0,0|3,0,0]=4 2562 B11R1.27 CNCCCn1cc(cn1)C 2230a_100000748464_200000210301 [0,1,0,0,0,0|3,0,0]=4 2563 B11R1.27 CNCCCn1cc(cn1)C 2230a_106832991635_200015186932 [0,1,0,0,0,0|3,0,0]=4 2564 B11R1.27 CNCCCn1cc(cn1)C 34a_100000748464_200000210301 [0,1,0,0,0,0|3,0,0]=4 2565 B11R1.27 CNCCCn1cc(cn1)C 7a_106832991635_200015186932 [0,1,0,0,0,0|3,0,0]=4 2566 B11R1.27 CNCCCn1cc(cn1)Cl 34a_100011353932_200000210301 [0,1,0,0,0,0|3,0,0]=4 2567 B11R1.27 COCCCc1nc(no1)C 270196a_100000212224_100000741012 [0,1,0,0,0,0|3,0,0]=4 2568 B11R1.27 COCCCn1cc(cn1)Br 34a_100011398341_200000210301 [0,1,0,0,0,0|3,0,0]=4 2569 B11R1.27 COCCSc1cc(cs1)C 62a_100000233755_100009876951 [0,1,0,0,0,0|2,1,0]=4 2570 B11R1.27 COCCSc1cc(cs1)C 62a_100009876951_100000233755 [0,1,0,0,0,0|2,1,0]=4 2571 B11R1.27 COCCSc1ccc(s1)Br 62a_100000233755_100010197418 [0,1,0,0,0,0|2,1,0]=4 2572 B11R1.27 COCCSc1ccc(s1)Br 62a_100010197418_100000233755 [0,1,0,0,0,0|2,1,0]=4 2573 B11R1.27 COCCSc1ccc(s1)C 62a_100000031368_100000233755 [0,1,0,0,0,0|2,1,0]=4 2574 B11R1.27 COCCSc1ccc(s1)C 62a_100000233755_100000031368 [0,1,0,0,0,0|2,1,0]=4 2575 B11R1.27 COCNCc1cc(cs1)Br 2230a_100000741024_100000766300 [0,1,0,0,0,0|2,1,0]=4 2576 B11R1.27 COCNCc1cc(cs1)C 2230a_100015204214_100000766300 [0,1,0,0,0,0|2,1,0]=4 2577 B11R1.27 COCNCc1cc(no1)Br 2230a_100015193020_100000766300 [0,1,0,0,0,0|3,0,0]=4 2578 B11R1.27 COCNCc1cc(no1)C 2230a_100000745748_100000766300 [0,1,0,0,0,0|3,0,0]=4 2579 B11R1.27 COCNCc1ccc(s1)C 2230a_100000238518_100000766300 [0,1,0,0,0,0|2,1,0]=4 2580 B11R1.27 COCNCc1ccc(s1)Cl 2230a_100000737310_100000766300 [0,1,0,0,0,0|2,1,0]=4 2581 B11R1.27 COCNCc1ncc(o1)C 2230a_100138411809_100000766300 [0,1,0,0,0,0|3,0,0]=4 2582 B11R1.27 COCSCc1cc(cs1)Br 62a_100000746031_100000766300 [0,1,0,0,0,0|2,1,0]=4 2583 B11R1.27 COCSCc1cc(cs1)Br 62a_100000766300_100000746031 [0,1,0,0,0,0|2,1,0]=4 2584 B11R1.27 COCSCc1cc(no1)Br 62a_100000709089_100000766300 [0,1,0,0,0,0|3,0,0]=4 2585 B11R1.27 COCSCc1cc(no1)Br 62a_100000766300_100000709089 [0,1,0,0,0,0|3,0,0]=4 2586 B11R1.27 COCSCc1cc(no1)C 62a_100000707947_100000766300 [0,1,0,0,0,0|3,0,0]=4 2587 B11R1.27 COCSCc1cc(no1)C 62a_100000766300_100000707947 [0,1,0,0,0,0|3,0,0]=4 2588 B11R1.27 COCSCc1ccc(s1)Br 62a_100000708592_100000766300 [0,1,0,0,0,0|2,1,0]=4 2589 B11R1.27 COCSCc1ccc(s1)Br 62a_100000766300_100000708592 [0,1,0,0,0,0|2,1,0]=4 2590 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000185097_100000766300 [0,1,0,0,0,0|2,1,0]=4 2591 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000766300_100000185097 [0,1,0,0,0,0|2,1,0]=4 2592 B11R1.27 CSCCCc1nc(no1)C 270196a_100000212224_100000173376 [0,1,0,0,0,0|3,0,0]=4 2593 B11R1.27 CSCCCn1cc(cn1)C 62a_200000210301_200015186932 [0,1,0,0,0,0|3,0,0]=4 2594 B11R1.27 CSCCCn1cc(cn1)C 62a_200015186932_200000210301 [0,1,0,0,0,0|3,0,0]=4 2595 B11R1.27 CSCCSc1cc(cs1)C 62a_100000212216_100009876951 [0,1,0,0,0,0|2,1,0]=4 2596 B11R1.27 CSCCSc1cc(cs1)C 62a_100009876951_100000751147 [0,1,0,0,0,0|2,1,0]=4 2597 B11R1.27 CSCCSc1ccc(s1)Br 62a_100000212216_100010197418 [0,1,0,0,0,0|2,1,0]=4 2598 B11R1.27 CSCCSc1ccc(s1)Br 62a_100010197418_100000751147 [0,1,0,0,0,0|2,1,0]=4 2599 B11R1.27 CSCCSc1ccc(s1)C 62a_100000031368_100000751147 [0,1,0,0,0,0|2,1,0]=4 2600 B11R1.27 CSCCSc1ccc(s1)C 62a_100000212216_100000031368 [0,1,0,0,0,0|2,1,0]=4 2601 B11R1.27 CSCNCc1cc(cs1)Br 2230a_100000741024_100011218213 [0,1,0,0,0,0|2,1,0]=4 2602 B11R1.27 CSCNCc1cc(cs1)Br 34a_100000741024_100011218213 [0,1,0,0,0,0|2,1,0]=4 2603 B11R1.27 CSCNCc1cc(cs1)C 2230a_100015204214_100011218213 [0,1,0,0,0,0|2,1,0]=4 2604 B11R1.27 CSCNCc1cc(cs1)C 34a_100015204214_100011218213 [0,1,0,0,0,0|2,1,0]=4 2605 B11R1.27 CSCNCc1cc(no1)Br 2230a_100015193020_100011218213 [0,1,0,0,0,0|3,0,0]=4 2606 B11R1.27 CSCNCc1cc(no1)Br 34a_100015193020_100011218213 [0,1,0,0,0,0|3,0,0]=4 2607 B11R1.27 CSCNCc1cc(no1)C 2230a_100000745748_100011218213 [0,1,0,0,0,0|3,0,0]=4 2608 B11R1.27 CSCNCc1cc(no1)C 34a_100000745748_100011218213 [0,1,0,0,0,0|3,0,0]=4 2609 B11R1.27 CSCNCc1ccc(o1)Br 34a_100000708654_100011218213 [0,1,0,0,0,0|2,0,0]=3 2610 B11R1.27 CSCNCc1ccc(o1)C 34a_100011194323_100011218213 [0,1,0,0,0,0|2,0,0]=3 2611 B11R1.27 CSCNCc1ccc(s1)C 2230a_100000238518_100011218213 [0,1,0,0,0,0|2,1,0]=4 2612 B11R1.27 CSCNCc1ccc(s1)Cl 2230a_100000737310_100011218213 [0,1,0,0,0,0|2,1,0]=4 2613 B11R1.27 CSCNCc1ncc(o1)C 2230a_100138411809_100011218213 [0,1,0,0,0,0|3,0,0]=4 2614 B11R1.27 CSCNCc1ncc(o1)C 34a_100138411809_100011218213 [0,1,0,0,0,0|3,0,0]=4 2615 B11R1.27 CSCOCc1cc(cs1)Br 34a_100000238369_100011218213 [0,1,0,0,0,0|2,1,0]=4 2616 B11R1.27 CSCOCc1cc(cs1)C 34a_200000068372_100011218213 [0,1,0,0,0,0|2,1,0]=4 2617 B11R1.27 CSCOCc1cc(no1)Br 34a_100009816691_100011218213 [0,1,0,0,0,0|3,0,0]=4 2618 B11R1.27 CSCOCc1cc(no1)C 34a_100000684692_100011218213 [0,1,0,0,0,0|3,0,0]=4 2619 B11R1.27 CSCOCc1ccc(o1)Br 34a_100000246276_100011218213 [0,1,0,0,0,0|2,0,0]=3 2620 B11R1.27 CSCOCc1ccc(o1)C 34a_100011232665_100011218213 [0,1,0,0,0,0|2,0,0]=3 2621 B11R1.27 CSCOCc1ccc(s1)C 34a_100000238367_100011218213 [0,1,0,0,0,0|2,1,0]=4 2622 B11R1.27 CSCSCc1cc(cs1)Br 62a_100000746031_100011218213 [0,1,0,0,0,0|2,1,0]=4 2623 B11R1.27 CSCSCc1cc(cs1)Br 62a_100011218213_100000746031 [0,1,0,0,0,0|2,1,0]=4 2624 B11R1.27 CSCSCc1cc(no1)Br 62a_100000709089_100011218213 [0,1,0,0,0,0|3,0,0]=4 2625 B11R1.27 CSCSCc1cc(no1)Br 62a_100011218213_100000709089 [0,1,0,0,0,0|3,0,0]=4 2626 B11R1.27 CSCSCc1cc(no1)C 62a_100000707947_100011218213 [0,1,0,0,0,0|3,0,0]=4 2627 B11R1.27 CSCSCc1cc(no1)C 62a_100011218213_100000707947 [0,1,0,0,0,0|3,0,0]=4 2628 B11R1.27 CSCSCc1ccc(s1)Br 62a_100000708592_100011218213 [0,1,0,0,0,0|2,1,0]=4 2629 B11R1.27 CSCSCc1ccc(s1)Br 62a_100011218213_100000708592 [0,1,0,0,0,0|2,1,0]=4 2630 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100000185097_100011218213 [0,1,0,0,0,0|2,1,0]=4 2631 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100011218213_100000185097 [0,1,0,0,0,0|2,1,0]=4 2632 B11R1.27 Cc1cc(on1)CNCCF 2230a_100000745748_100011217306 [0,1,0,0,0,0|3,0,0]=4 2633 B11R1.27 Cc1cc(on1)CNCCF 34a_100000724931_100000707947 [0,1,0,0,0,0|3,0,0]=4 2634 B11R1.27 Cc1cc(on1)CNCCF 34a_100000745748_100011217306 [0,1,0,0,0,0|3,0,0]=4 2635 B11R1.27 Cc1cc(on1)CNCCO 207a_100000210304_100011794430 [0,1,0,0,0,0|3,0,0]=4 2636 B11R1.27 Cc1cc(on1)CNCCO 2230a_100000745748_100000211926 [0,1,0,0,0,0|3,0,0]=4 2637 B11R1.27 Cc1cc(on1)CNCCO 2230a_100016997473_100000707947 [0,1,0,0,0,0|3,0,0]=4 2638 B11R1.27 Cc1cc(on1)CNCCO 270004a_100000210304_100011794430 [0,1,0,0,0,0|3,0,0]=4 2639 B11R1.27 Cc1cc(on1)CNCCO 34a_100000745748_100000211926 [0,1,0,0,0,0|3,0,0]=4 2640 B11R1.27 Cc1cc(on1)CNCCO 34a_100016990907_100000707947 [0,1,0,0,0,0|3,0,0]=4 2641 B11R1.27 Cc1cc(on1)COCCBr 34a_100000211926_100000707947 [0,1,0,0,0,0|3,0,0]=4 2642 B11R1.27 Cc1cc(on1)COCCF 34a_100000684692_100011217306 [0,1,0,0,0,0|3,0,0]=4 2643 B11R1.27 Cc1cc(on1)COCCN 34a_100000210304_100000707947 [0,1,0,0,0,0|3,0,0]=4 2644 B11R1.27 Cc1cc(on1)COCCO 34a_100000684692_100000211926 [0,1,0,0,0,0|3,0,0]=4 2645 B11R1.27 Cc1cc(on1)CSCCF 62a_100000707947_100011217306 [0,1,0,0,0,0|3,0,0]=4 2646 B11R1.27 Cc1cc(on1)CSCCF 62a_100011217306_100000707947 [0,1,0,0,0,0|3,0,0]=4 2647 B11R1.27 Cc1cc(on1)CSCCO 62a_100000211926_100000707947 [0,1,0,0,0,0|3,0,0]=4 2648 B11R1.27 Cc1cc(on1)CSCCO 62a_100000707947_100000211926 [0,1,0,0,0,0|3,0,0]=4 2649 B11R1.27 Cc1ccc(o1)CCNCF 34a_100000739271_100015361967 [0,1,0,0,0,0|2,0,0]=3 2650 B11R1.27 Cc1ccc(o1)CCOCF 34a_100012161071_100015361967 [0,1,0,0,0,0|2,0,0]=3 2651 B11R1.27 Cc1ccc(o1)CCOCF 7a_100012161071_100015361967 [0,1,0,0,0,0|2,0,0]=3 2652 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [0,1,0,0,0,0|2,0,1]=4 2653 B11R1.27 Cc1ccc(o1)CNCCF 34a_100011194323_100011217306 [0,1,0,0,0,0|2,0,0]=3 2654 B11R1.27 Cc1ccc(o1)CNCCO 207a_100000210304_100000183696 [0,1,0,0,0,0|2,0,0]=3 2655 B11R1.27 Cc1ccc(o1)CNCCO 270004a_100000210304_100000183696 [0,1,0,0,0,0|2,0,0]=3 2656 B11R1.27 Cc1ccc(o1)CNCCO 34a_100011194323_100000211926 [0,1,0,0,0,0|2,0,0]=3 2657 B11R1.27 Cc1ccc(o1)COCC#N 7a_100011232665_100011215382 [0,1,0,0,0,0|2,0,1]=4 2658 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [0,1,0,0,0,0|2,0,1]=4 2659 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [0,1,0,0,0,0|2,0,1]=4 2660 B11R1.27 Cc1ccc(o1)COCCF 34a_100011232665_100011217306 [0,1,0,0,0,0|2,0,0]=3 2661 B11R1.27 Cc1ccc(o1)COCCF 7a_100011232665_100011217306 [0,1,0,0,0,0|2,0,0]=3 2662 B11R1.27 Cc1ccc(o1)COCCO 34a_100011232665_100000211926 [0,1,0,0,0,0|2,0,0]=3 2663 B11R1.27 Cc1ccc(o1)COCCO 7a_100011232665_100000211926 [0,1,0,0,0,0|2,0,0]=3 2664 B11R1.27 Cc1ccc(s1)CNCCF 2230a_100000238518_100011217306 [0,1,0,0,0,0|2,1,0]=4 2665 B11R1.27 Cc1ccc(s1)CNCCO 207a_100000210304_100000211121 [0,1,0,0,0,0|2,1,0]=4 2666 B11R1.27 Cc1ccc(s1)CNCCO 2230a_100000238518_100000211926 [0,1,0,0,0,0|2,1,0]=4 2667 B11R1.27 Cc1ccc(s1)CNCCO 270004a_100000210304_100000211121 [0,1,0,0,0,0|2,1,0]=4 2668 B11R1.27 Cc1ccc(s1)COCCF 34a_100000238367_100011217306 [0,1,0,0,0,0|2,1,0]=4 2669 B11R1.27 Cc1ccc(s1)COCCO 34a_100000238367_100000211926 [0,1,0,0,0,0|2,1,0]=4 2670 B11R1.27 Cc1ccc(s1)SCCCF 62a_100000031368_100011934791 [0,1,0,0,0,0|2,1,0]=4 2671 B11R1.27 Cc1ccc(s1)SCCCF 62a_100011934791_100000031368 [0,1,0,0,0,0|2,1,0]=4 2672 B11R1.27 Cc1ccc(s1)SCCCO 62a_100000031368_100011215043 [0,1,0,0,0,0|2,1,0]=4 2673 B11R1.27 Cc1ccc(s1)SCCCO 62a_100011215043_100000031368 [0,1,0,0,0,0|2,1,0]=4 2674 B11R1.27 Cc1cnc(o1)CNCCF 2230a_100138411809_100011217306 [0,1,0,0,0,0|3,0,0]=4 2675 B11R1.27 Cc1cnc(o1)CNCCF 34a_100138411809_100011217306 [0,1,0,0,0,0|3,0,0]=4 2676 B11R1.27 Cc1cnc(o1)CNCCO 2230a_100138411809_100000211926 [0,1,0,0,0,0|3,0,0]=4 2677 B11R1.27 Cc1cnc(o1)CNCCO 34a_100138411809_100000211926 [0,1,0,0,0,0|3,0,0]=4 2678 B11R1.27 Cc1cnn(c1)CCCN[13CH3] 2230a_100000748464_200025704644 [0,1,0,0,0,0|3,0,0]=4 2679 B11R1.27 Cc1cnn(c1)CCCN[13CH3] 34a_100000748464_200025704644 [0,1,0,0,0,0|3,0,0]=4 2680 B11R1.27 Cc1cnn(c1)CCCS[13CH3] 62a_200015186932_200025704644 [0,1,0,0,0,0|3,0,0]=4 2681 B11R1.27 Cc1cnn(c1)CCCS[13CH3] 62a_200025704644_200015186932 [0,1,0,0,0,0|3,0,0]=4 2682 B11R1.27 Cc1csc(c1)CNCCF 2230a_100015204214_100011217306 [0,1,0,0,0,0|2,1,0]=4 2683 B11R1.27 Cc1csc(c1)CNCCF 34a_100015204214_100011217306 [0,1,0,0,0,0|2,1,0]=4 2684 B11R1.27 Cc1csc(c1)CNCCO 207a_100000210304_100102525248 [0,1,0,0,0,0|2,1,0]=4 2685 B11R1.27 Cc1csc(c1)CNCCO 2230a_100015204214_100000211926 [0,1,0,0,0,0|2,1,0]=4 2686 B11R1.27 Cc1csc(c1)CNCCO 270004a_100000210304_100102525248 [0,1,0,0,0,0|2,1,0]=4 2687 B11R1.27 Cc1csc(c1)CNCCO 34a_100015204214_100000211926 [0,1,0,0,0,0|2,1,0]=4 2688 B11R1.27 Cc1csc(c1)COCCF 34a_200000068372_100011217306 [0,1,0,0,0,0|2,1,0]=4 2689 B11R1.27 Cc1csc(c1)COCCF 7a_200000068372_100011217306 [0,1,0,0,0,0|2,1,0]=4 2690 B11R1.27 Cc1csc(c1)COCCO 34a_200000068372_100000211926 [0,1,0,0,0,0|2,1,0]=4 2691 B11R1.27 Cc1csc(c1)COCCO 7a_200000068372_100000211926 [0,1,0,0,0,0|2,1,0]=4 2692 B11R1.27 Cc1csc(c1)SCCCF 62a_100009876951_100011934791 [0,1,0,0,0,0|2,1,0]=4 2693 B11R1.27 Cc1csc(c1)SCCCF 62a_100011934791_100009876951 [0,1,0,0,0,0|2,1,0]=4 2694 B11R1.27 Cc1csc(c1)SCCCO 62a_100009876951_100011215043 [0,1,0,0,0,0|2,1,0]=4 2695 B11R1.27 Cc1csc(c1)SCCCO 62a_100011215043_100009876951 [0,1,0,0,0,0|2,1,0]=4 2696 B11R1.27 Cc1csc(n1)CCCN[13CH3] 2230a_100000749783_200025704644 [0,1,0,0,0,0|2,1,0]=4 2697 B11R1.27 Cc1ncc(o1)CNCCO 207a_100000210304_100000084308 [0,1,0,0,0,0|3,0,0]=4 2698 B11R1.27 Cc1ncc(o1)CNCCO 270004a_100000210304_100000084308 [0,1,0,0,0,0|3,0,0]=4 2699 B11R1.27 Cc1noc(n1)CCCCO 270196a_100000212224_100000695505 [0,1,0,0,0,0|3,0,0]=4 2700 B11R1.27 Cc1noc(n1)CCCN[13CH3] 34a_100000750606_200025704644 [0,1,0,0,0,0|3,0,0]=4 2701 B11R1.27 Clc1ccc(s1)COCCBr 34a_100000211926_100000185097 [0,1,0,0,0,0|2,1,0]=4 2702 B11R1.27 FCCCSc1ccc(s1)Br 62a_100010197418_100011934791 [0,1,0,0,0,0|2,1,0]=4 2703 B11R1.27 FCCCSc1ccc(s1)Br 62a_100011934791_100010197418 [0,1,0,0,0,0|2,1,0]=4 2704 B11R1.27 FCCNCc1cc(cs1)Br 2230a_100000741024_100011217306 [0,1,0,0,0,0|2,1,0]=4 2705 B11R1.27 FCCNCc1cc(cs1)Br 34a_100000724931_100000746031 [0,1,0,0,0,0|2,1,0]=4 2706 B11R1.27 FCCNCc1cc(cs1)Br 34a_100000741024_100011217306 [0,1,0,0,0,0|2,1,0]=4 2707 B11R1.27 FCCNCc1cc(no1)Br 2230a_100015193020_100011217306 [0,1,0,0,0,0|3,0,0]=4 2708 B11R1.27 FCCNCc1cc(no1)Br 34a_100015193020_100011217306 [0,1,0,0,0,0|3,0,0]=4 2709 B11R1.27 FCCNCc1ccc(o1)Br 34a_100000708654_100011217306 [0,1,0,0,0,0|2,0,0]=3 2710 B11R1.27 FCCNCc1ccc(s1)Br 34a_100000724931_100000708592 [0,1,0,0,0,0|2,1,0]=4 2711 B11R1.27 FCCNCc1ccc(s1)Cl 2230a_100000737310_100011217306 [0,1,0,0,0,0|2,1,0]=4 2712 B11R1.27 FCCNCc1ccc(s1)Cl 34a_100000724931_100000185097 [0,1,0,0,0,0|2,1,0]=4 2713 B11R1.27 FCCOCc1cc(cs1)Br 34a_100000238369_100011217306 [0,1,0,0,0,0|2,1,0]=4 2714 B11R1.27 FCCOCc1cc(cs1)Br 7a_100000238369_100011217306 [0,1,0,0,0,0|2,1,0]=4 2715 B11R1.27 FCCOCc1cc(no1)Br 34a_100009816691_100011217306 [0,1,0,0,0,0|3,0,0]=4 2716 B11R1.27 FCCOCc1ccc(o1)Br 34a_100000246276_100011217306 [0,1,0,0,0,0|2,0,0]=3 2717 B11R1.27 FCCOCc1ccc(o1)Br 7a_100000246276_100011217306 [0,1,0,0,0,0|2,0,0]=3 2718 B11R1.27 FCCSCc1cc(cs1)Br 62a_100000746031_100011217306 [0,1,0,0,0,0|2,1,0]=4 2719 B11R1.27 FCCSCc1cc(cs1)Br 62a_100011217306_100000746031 [0,1,0,0,0,0|2,1,0]=4 2720 B11R1.27 FCCSCc1cc(no1)Br 62a_100000709089_100011217306 [0,1,0,0,0,0|3,0,0]=4 2721 B11R1.27 FCCSCc1cc(no1)Br 62a_100011217306_100000709089 [0,1,0,0,0,0|3,0,0]=4 2722 B11R1.27 FCCSCc1ccc(s1)Br 62a_100000708592_100011217306 [0,1,0,0,0,0|2,1,0]=4 2723 B11R1.27 FCCSCc1ccc(s1)Br 62a_100011217306_100000708592 [0,1,0,0,0,0|2,1,0]=4 2724 B11R1.27 FCCSCc1ccc(s1)Cl 62a_100000185097_100011217306 [0,1,0,0,0,0|2,1,0]=4 2725 B11R1.27 FCCSCc1ccc(s1)Cl 62a_100011217306_100000185097 [0,1,0,0,0,0|2,1,0]=4 2726 B11R1.27 FCOCCc1cc(no1)Br 34a_100009816916_100015361967 [0,1,0,0,0,0|3,0,0]=4 2727 B11R1.27 N#CCOCc1ccc(o1)Br 7a_100000246276_100011215382 [0,1,0,0,0,0|2,0,1]=4 2728 B11R1.27 NCCOCc1cc(cs1)Br 34a_100000210304_100000746031 [0,1,0,0,0,0|2,1,0]=4 2729 B11R1.27 NCCOCc1ccc(s1)Br 34a_100000210304_100000708592 [0,1,0,0,0,0|2,1,0]=4 2730 B11R1.27 NCCOCc1ccc(s1)Cl 34a_100000210304_100000185097 [0,1,0,0,0,0|2,1,0]=4 2731 B11R1.27 NCCSCc1ccc(s1)O 271570a_203496583355_100000198568 [0,1,0,0,0,0|2,1,0]=4 2732 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [0,1,0,0,0,0|2,0,1]=4 2733 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [0,1,0,0,0,0|2,0,1]=4 2734 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [0,1,0,0,0,0|2,0,1]=4 2735 B11R1.27 OCCCSc1ccc(s1)Br 62a_100010197418_100011215043 [0,1,0,0,0,0|2,1,0]=4 2736 B11R1.27 OCCCSc1ccc(s1)Br 62a_100011215043_100010197418 [0,1,0,0,0,0|2,1,0]=4 2737 B11R1.27 OCCNCc1cc(c[nH]1)Br 270004a_100000210304_100000720742 [0,1,0,0,0,0|3,0,0]=4 2738 B11R1.27 OCCNCc1cc(co1)Br 270004a_100000210304_100000747035 [0,1,0,0,0,0|2,0,0]=3 2739 B11R1.27 OCCNCc1cc(cs1)Br 207a_100000210304_100000211722 [0,1,0,0,0,0|2,1,0]=4 2740 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100000741024_100000211926 [0,1,0,0,0,0|2,1,0]=4 2741 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100016997473_100000746031 [0,1,0,0,0,0|2,1,0]=4 2742 B11R1.27 OCCNCc1cc(cs1)Br 270004a_100000210304_100000211722 [0,1,0,0,0,0|2,1,0]=4 2743 B11R1.27 OCCNCc1cc(cs1)Br 34a_100000741024_100000211926 [0,1,0,0,0,0|2,1,0]=4 2744 B11R1.27 OCCNCc1cc(cs1)Br 34a_100016990907_100000746031 [0,1,0,0,0,0|2,1,0]=4 2745 B11R1.27 OCCNCc1cc(cs1)Cl 207a_100000210304_100000102487 [0,1,0,0,0,0|2,1,0]=4 2746 B11R1.27 OCCNCc1cc(cs1)Cl 270004a_100000210304_100000102487 [0,1,0,0,0,0|2,1,0]=4 2747 B11R1.27 OCCNCc1cc(cs1)I 207a_100000210304_100010179861 [0,1,0,0,0,0|2,1,0]=4 2748 B11R1.27 OCCNCc1cc(no1)Br 2230a_100015193020_100000211926 [0,1,0,0,0,0|3,0,0]=4 2749 B11R1.27 OCCNCc1cc(no1)Br 270004a_100000210304_100009819588 [0,1,0,0,0,0|3,0,0]=4 2750 B11R1.27 OCCNCc1cc(no1)Br 34a_100015193020_100000211926 [0,1,0,0,0,0|3,0,0]=4 2751 B11R1.27 OCCNCc1ccc(o1)Br 207a_100000210304_100000185145 [0,1,0,0,0,0|2,0,0]=3 2752 B11R1.27 OCCNCc1ccc(o1)Br 270004a_100000210304_100000185145 [0,1,0,0,0,0|2,0,0]=3 2753 B11R1.27 OCCNCc1ccc(o1)Br 34a_100000708654_100000211926 [0,1,0,0,0,0|2,0,0]=3 2754 B11R1.27 OCCNCc1ccc(o1)Cl 207a_100000210304_100000188459 [0,1,0,0,0,0|2,0,0]=3 2755 B11R1.27 OCCNCc1ccc(o1)Cl 270004a_100000210304_100000188459 [0,1,0,0,0,0|2,0,0]=3 2756 B11R1.27 OCCNCc1ccc(o1)I 207a_100000210304_100000186757 [0,1,0,0,0,0|2,0,0]=3 2757 B11R1.27 OCCNCc1ccc(s1)Br 207a_100000210304_100000179771 [0,1,0,0,0,0|2,1,0]=4 2758 B11R1.27 OCCNCc1ccc(s1)Br 2230a_100016997473_100000708592 [0,1,0,0,0,0|2,1,0]=4 2759 B11R1.27 OCCNCc1ccc(s1)Br 270004a_100000210304_100000179771 [0,1,0,0,0,0|2,1,0]=4 2760 B11R1.27 OCCNCc1ccc(s1)Br 34a_100016990907_100000708592 [0,1,0,0,0,0|2,1,0]=4 2761 B11R1.27 OCCNCc1ccc(s1)Cl 207a_100000210304_100000242774 [0,1,0,0,0,0|2,1,0]=4 2762 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100000737310_100000211926 [0,1,0,0,0,0|2,1,0]=4 2763 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100016997473_100000185097 [0,1,0,0,0,0|2,1,0]=4 2764 B11R1.27 OCCNCc1ccc(s1)Cl 270004a_100000210304_100000242774 [0,1,0,0,0,0|2,1,0]=4 2765 B11R1.27 OCCNCc1ccc(s1)Cl 34a_100016990907_100000185097 [0,1,0,0,0,0|2,1,0]=4 2766 B11R1.27 OCCOCc1cc(cs1)Br 34a_100000238369_100000211926 [0,1,0,0,0,0|2,1,0]=4 2767 B11R1.27 OCCOCc1cc(cs1)Br 7a_100000238369_100000211926 [0,1,0,0,0,0|2,1,0]=4 2768 B11R1.27 OCCOCc1cc(no1)Br 34a_100009816691_100000211926 [0,1,0,0,0,0|3,0,0]=4 2769 B11R1.27 OCCOCc1ccc(o1)Br 34a_100000246276_100000211926 [0,1,0,0,0,0|2,0,0]=3 2770 B11R1.27 OCCOCc1ccc(o1)Br 7a_100000246276_100000211926 [0,1,0,0,0,0|2,0,0]=3 2771 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000211926_100000746031 [0,1,0,0,0,0|2,1,0]=4 2772 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000746031_100000211926 [0,1,0,0,0,0|2,1,0]=4 2773 B11R1.27 OCCSCc1cc(no1)Br 62a_100000211926_100000709089 [0,1,0,0,0,0|3,0,0]=4 2774 B11R1.27 OCCSCc1cc(no1)Br 62a_100000709089_100000211926 [0,1,0,0,0,0|3,0,0]=4 2775 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000211926_100000708592 [0,1,0,0,0,0|2,1,0]=4 2776 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000708592_100000211926 [0,1,0,0,0,0|2,1,0]=4 2777 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000185097_100000211926 [0,1,0,0,0,0|2,1,0]=4 2778 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000211926_100000185097 [0,1,0,0,0,0|2,1,0]=4 2779 B11R1.27 [13CH3]NCCCn1cc(cn1)Cl 34a_100011353932_200025704644 [0,1,0,0,0,0|3,0,0]=4 2780 B11R1.27 [13CH3]OCCCn1cc(cn1)Br 34a_100011398341_200025704644 [0,1,0,0,0,0|3,0,0]=4 2781 B11R1.29 C#CCN[C@H](C)c1ccco1 2230a_100160469435_100000038162 [0,1,0,0,0,0|1,0,2]=4 2782 B11R1.29 C#CCO[C@@H](C)c1ccco1 34a_100000755270_100000184674 [0,1,0,0,0,0|1,0,2]=4 2783 B11R1.29 C#CCO[C@@H](C)c1ccco1 7a_100000755270_100000038162 [0,1,0,0,0,0|1,0,2]=4 2784 B11R1.29 C=CCN[C@H](C)c1ccco1 2230a_100160469435_100000210623 [0,1,0,0,0,0|1,0,2]=4 2785 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [0,1,0,0,0,0|1,0,2]=4 2786 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [0,1,0,0,0,0|1,0,2]=4 2787 B11R1.29 CC(CCO[13CH3])n1cccn1 34a_100000090012_200025704644 [0,1,0,0,0,0|3,0,0]=4 2788 B11R1.29 CC(CCO[13CH3])n1cccn1 7a_100000090012_200025704644 [0,1,0,0,0,0|3,0,0]=4 2789 B11R1.29 CC(NCCF)c1ccc[nH]1 269862a_100000724931_100000183661 [0,1,0,0,0,0|3,0,0]=4 2790 B11R1.29 CC(NCCF)c1cccs1 2230a_100000703493_100011217306 [0,1,0,0,0,0|2,1,0]=4 2791 B11R1.29 CC(NCCF)c1cccs1 269862a_100000724931_100000185736 [0,1,0,0,0,0|2,1,0]=4 2792 B11R1.29 CC(NCCO)c1ccc[nH]1 269862a_100000210304_100000183661 [0,1,0,0,0,0|3,0,0]=4 2793 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [0,1,0,0,0,0|2,1,0]=4 2794 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [0,1,0,0,0,0|2,1,0]=4 2795 B11R1.29 CCCCC(C)N1CC=CC1 269982a_100015195280_200011215066 [0,1,0,0,0,0|2,0,1]=4 2796 B11R1.29 CCCNC(C)c1cc[nH]c1 269862a_100020643023_100000753940 [0,1,0,0,0,0|3,0,0]=4 2797 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,1,0,0,0,0|2,0,0]=3 2798 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,1,0,0,0,0|1,1,0]=3 2799 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,1,0,0,0,0|1,1,0]=3 2800 B11R1.29 CCCNC(C)c1ccn[nH]1 269862a_100020643023_100000747476 [0,1,0,0,0,0|3,0,0]=4 2801 B11R1.29 CCCNC(C)c1ccoc1 2230a_100000690049_100000210303 [0,1,0,0,0,0|3,0,0]=4 2802 B11R1.29 CCCNC(C)c1ccsc1 2230a_100000748604_100000210303 [0,1,0,0,0,0|3,0,0]=4 2803 B11R1.29 CCCNC(C)c1ccsc1 269862a_100020643023_100000747891 [0,1,0,0,0,0|3,0,0]=4 2804 B11R1.29 CCCNC(C)c1cscn1 269862a_100020643023_100000693406 [0,1,0,0,0,0|3,0,0]=4 2805 B11R1.29 CCCNC(C)c1ncc[nH]1 269862a_100020643023_100000718901 [0,1,0,0,0,0|3,0,0]=4 2806 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [0,1,0,0,0,0|2,1,0]=4 2807 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,1,0,0,0,0|1,0,0]=2 2808 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,1,0,0,0,0|3,0,0]=4 2809 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,1,0,0,0,0|3,0,0]=4 2810 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,1,0,0,0,0|2,1,0]=4 2811 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,1,0,0,0,0|1,0,0]=2 2812 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,1,0,0,0,0|1,0,0]=2 2813 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,1,0,0,0,0|1,1,0]=3 2814 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,1,0,0,0,0|1,1,1]=4 2815 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,1,0,0,0,0|1,0,0]=2 2816 B11R1.29 CCNCC(O)c1ccsc1 2230a_100000758718_100000210202 [0,1,0,0,0,0|3,0,0]=4 2817 B11R1.29 CCNCC(O)c1ccsc1 34a_100000758718_100000210202 [0,1,0,0,0,0|3,0,0]=4 2818 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,1,0,0,0,0|2,0,1]=4 2819 B11R1.29 CCOCC(C)n1cccn1 34a_100011935049_100000210202 [0,1,0,0,0,0|3,0,0]=4 2820 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,1,0,0,0,0|1,1,0]=3 2821 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,1,0,0,0,0|2,0,1]=4 2822 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,1,0,0,0,0|2,0,1]=4 2823 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,1,0,0,0,0|1,0,1]=3 2824 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,1,0,0,0,0|1,0,1]=3 2825 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,1,0,0,0,0|1,1,1]=4 2826 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,1,0,0,0,0|1,1,1]=4 2827 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,1,0,0,0,0|1,1,1]=4 2828 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,1,0,0,0,0|1,1,1]=4 2829 B11R1.29 COCCC(C)n1cccn1 34a_100000090012_200000210301 [0,1,0,0,0,0|3,0,0]=4 2830 B11R1.29 COCCC(C)n1cccn1 7a_100000090012_200000210301 [0,1,0,0,0,0|3,0,0]=4 2831 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [0,1,0,0,0,0|2,1,0]=4 2832 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,1,0,0,0,0|2,0,0]=3 2833 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,1,0,0,0,0|1,1,1]=4 2834 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,1,0,0,0,0|1,1,1]=4 2835 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [0,1,0,0,0,0|2,1,0]=4 2836 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,1,0,0,0,0|2,0,0]=3 2837 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,1,0,0,0,0|2,0,0]=3 2838 B11R1.29 C[C@@H](NCC#N)c1ccco1 2230a_100160469435_100011215382 [0,1,0,0,0,0|2,0,1]=4 2839 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [0,1,0,0,0,0|2,0,1]=4 2840 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,1,0,0,0,0|2,0,0]=3 2841 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,1,0,0,0,0|2,0,0]=3 2842 B11R1.29 C[C@@H](OCCF)c1cccs1 7a_100000750433_100011217306 [0,1,0,0,0,0|2,1,0]=4 2843 B11R1.29 C[C@@H](OCCO)c1cccs1 7a_100000750433_100000211926 [0,1,0,0,0,0|2,1,0]=4 2844 B11R1.29 C[C@H](OCC#N)c1ccco1 7a_100000755270_100011215382 [0,1,0,0,0,0|2,0,1]=4 2845 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [0,1,0,0,0,0|2,0,1]=4 2846 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [0,1,0,0,0,0|2,0,1]=4 2847 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [0,1,0,0,0,0|2,0,0]=3 2848 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [0,1,0,0,0,0|2,0,0]=3 2849 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [0,1,0,0,0,0|2,0,0]=3 2850 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [0,1,0,0,0,0|2,0,0]=3 2851 B11R1.29 NC(COCF)c1cccs1 34a_100102422791_100015361967 [0,1,0,0,0,0|2,1,0]=4 2852 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,1,0,0,0,0|2,0,1]=4 2853 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,1,0,0,0,0|2,0,1]=4 2854 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,1,0,0,0,0|1,1,1]=4 2855 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,1,0,0,0,0|1,1,1]=4 2856 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,1,0,0,0,0|0,0,3]=4 2857 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000185268_100000038162 [0,1,0,0,0,0|1,0,2]=4 2858 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000746299_200000210301 [0,1,0,0,0,0|1,0,2]=4 2859 B11R1.30 C#CCN(C)Cc1ccco1 270004a_100000225692_100000186105 [0,1,0,0,0,0|1,0,2]=4 2860 B11R1.30 C#CCN(C)Cc1ccco1 34a_100000746299_200000210301 [0,1,0,0,0,0|1,0,2]=4 2861 B11R1.30 C#CCN([13CH3])Cc1ccco1 2230a_100000746299_200025704644 [0,1,0,0,0,0|1,0,2]=4 2862 B11R1.30 C#CCN([13CH3])Cc1ccco1 34a_100000746299_200025704644 [0,1,0,0,0,0|1,0,2]=4 2863 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,1,0,0,0,0|0,0,3]=4 2864 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [0,1,0,0,0,0|1,0,2]=4 2865 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [0,1,0,0,0,0|1,0,2]=4 2866 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [0,1,0,0,0,0|1,0,2]=4 2867 B11R1.30 CC(CC#N)Sc1ccco1 62a_100009813641_100009814098 [0,1,0,0,0,0|2,0,1]=4 2868 B11R1.30 CC(CC#N)Sc1ccco1 62a_100009814098_100009813641 [0,1,0,0,0,0|2,0,1]=4 2869 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [0,1,0,0,0,0|2,0,0]=3 2870 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [0,1,0,0,0,0|2,0,0]=3 2871 B11R1.30 CC(CCO)Sc1cccs1 62a_100009893172_100011215356 [0,1,0,0,0,0|2,1,0]=4 2872 B11R1.30 CC(CCO)Sc1cccs1 62a_100011215356_100009893172 [0,1,0,0,0,0|2,1,0]=4 2873 B11R1.30 CC(CCO)Sc1cnco1 62a_100009893172_100020591547 [0,1,0,0,0,0|3,0,0]=4 2874 B11R1.30 CC(CCO)Sc1cnco1 62a_100020591547_100009893172 [0,1,0,0,0,0|3,0,0]=4 2875 B11R1.30 CC(CCO)Sc1ncco1 62a_100009893172_100011787736 [0,1,0,0,0,0|3,0,0]=4 2876 B11R1.30 CC(CCO)Sc1ncco1 62a_100011787736_100009893172 [0,1,0,0,0,0|3,0,0]=4 2877 B11R1.30 CC(CO[13CH3])Cn1cccn1 34a_100011934653_200025704644 [0,1,0,0,0,0|3,0,0]=4 2878 B11R1.30 CC(Cc1ccco1)OCF 34a_100011803939_100015361967 [0,1,0,0,0,0|2,0,0]=3 2879 B11R1.30 CC(Cc1ccco1)OCF 7a_100011803939_100015361967 [0,1,0,0,0,0|2,0,0]=3 2880 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,1,0,0,0,0|2,0,1]=4 2881 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,1,0,0,0,0|2,0,1]=4 2882 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,1,0,0,0,0|1,0,1]=3 2883 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,1,0,0,0,0|0,0,1]=2 2884 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,1,0,0,0,0|0,1,1]=3 2885 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000211992_100000728653 [0,1,0,0,0,0|2,0,1]=4 2886 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210303 [0,1,0,0,0,0|2,0,1]=4 2887 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,1,0,0,0,0|2,0,1]=4 2888 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,1,0,0,0,0|2,0,1]=4 2889 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,1,0,0,0,0|2,0,1]=4 2890 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,1,0,0,0,0|2,0,1]=4 2891 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,1,0,0,0,0|1,1,1]=4 2892 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,1,0,0,0,0|2,0,1]=4 2893 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,1,0,0,0,0|2,0,1]=4 2894 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,1,0,0,0,0|1,0,1]=3 2895 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,1,0,0,0,0|1,1,1]=4 2896 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,1,0,0,0,0|2,0,1]=4 2897 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,1,0,0,0,0|2,0,1]=4 2898 B11R1.30 CCCC(C)CN1CC=CC1 269982a_100015195280_100011216630 [0,1,0,0,0,0|2,0,1]=4 2899 B11R1.30 CCCC(C)Oc1ccsc1 34a_100000106738_100000766640 [0,1,0,0,0,0|3,0,0]=4 2900 B11R1.30 CCCC(C)Oc1ccsc1 7a_100000106738_100000766640 [0,1,0,0,0,0|3,0,0]=4 2901 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000756875_100000766640 [0,1,0,0,0,0|3,0,0]=4 2902 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000766640_100000756875 [0,1,0,0,0,0|3,0,0]=4 2903 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000062575_100000766640 [0,1,0,0,0,0|3,0,0]=4 2904 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000766640_100000062575 [0,1,0,0,0,0|3,0,0]=4 2905 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [0,1,0,0,0,0|1,0,0]=2 2906 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [0,1,0,0,0,0|1,0,0]=2 2907 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [0,1,0,0,0,0|1,1,0]=3 2908 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [0,1,0,0,0,0|1,1,0]=3 2909 B11R1.30 CCCC(C)Sc1ccoc1 62a_100000766640_100011215275 [0,1,0,0,0,0|3,0,0]=4 2910 B11R1.30 CCCC(C)Sc1ccoc1 62a_100011215275_100000766640 [0,1,0,0,0,0|3,0,0]=4 2911 B11R1.30 CCCC(C)Sc1ccon1 62a_100000766640_100009818083 [0,1,0,0,0,0|3,0,0]=4 2912 B11R1.30 CCCC(C)Sc1ccon1 62a_100009818083_100000766640 [0,1,0,0,0,0|3,0,0]=4 2913 B11R1.30 CCCC(C)Sc1ccsc1 62a_100000738268_100000766640 [0,1,0,0,0,0|3,0,0]=4 2914 B11R1.30 CCCC(C)Sc1ccsc1 62a_100000766640_100000738268 [0,1,0,0,0,0|3,0,0]=4 2915 B11R1.30 CCCC(C)Sc1ccsn1 62a_100000766640_100009818082 [0,1,0,0,0,0|3,0,0]=4 2916 B11R1.30 CCCC(C)Sc1ccsn1 62a_100009818082_100000766640 [0,1,0,0,0,0|3,0,0]=4 2917 B11R1.30 CCCC(C)Sc1cnco1 62a_100000766640_100020591547 [0,1,0,0,0,0|2,0,0]=3 2918 B11R1.30 CCCC(C)Sc1cnco1 62a_100020591547_100000766640 [0,1,0,0,0,0|2,0,0]=3 2919 B11R1.30 CCCC(C)Sc1cncs1 62a_100000766640_100011934649 [0,1,0,0,0,0|2,1,0]=4 2920 B11R1.30 CCCC(C)Sc1cncs1 62a_100011934649_100000766640 [0,1,0,0,0,0|2,1,0]=4 2921 B11R1.30 CCCC(C)Sc1cscn1 62a_100000751502_100000766640 [0,1,0,0,0,0|3,0,0]=4 2922 B11R1.30 CCCC(C)Sc1cscn1 62a_100000766640_100000751502 [0,1,0,0,0,0|3,0,0]=4 2923 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100000766640_100025796157 [0,1,0,0,0,0|3,0,0]=4 2924 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100025796157_100000766640 [0,1,0,0,0,0|3,0,0]=4 2925 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [0,1,0,0,0,0|2,0,0]=3 2926 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [0,1,0,0,0,0|2,0,0]=3 2927 B11R1.30 CCCC(C)Sc1nccs1 62a_100000211983_100000766640 [0,1,0,0,0,0|2,1,0]=4 2928 B11R1.30 CCCC(C)Sc1nccs1 62a_100000766640_100000211983 [0,1,0,0,0,0|2,1,0]=4 2929 B11R1.30 CCCN(C)Cc1c[nH]cn1 2230a_100000747261_100000707719 [0,1,0,0,0,0|3,0,0]=4 2930 B11R1.30 CCCN(C)Cc1c[nH]cn1 269982a_100000747261_100000707719 [0,1,0,0,0,0|3,0,0]=4 2931 B11R1.30 CCCN(C)Cc1cc[nH]n1 270004a_100000747261_100000738523 [0,1,0,0,0,0|3,0,0]=4 2932 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,1,0,0,0,0|1,0,0]=2 2933 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,1,0,0,0,0|1,0,0]=2 2934 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,1,0,0,0,0|1,0,0]=2 2935 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,1,0,0,0,0|1,0,0]=2 2936 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,1,0,0,0,0|1,0,0]=2 2937 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,1,0,0,0,0|1,1,0]=3 2938 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,1,0,0,0,0|1,1,0]=3 2939 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,1,0,0,0,0|1,1,0]=3 2940 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,1,0,0,0,0|1,1,0]=3 2941 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,1,0,0,0,0|1,1,0]=3 2942 B11R1.30 CCCN(C)Cc1ccn[nH]1 2230a_100000747261_100000728653 [0,1,0,0,0,0|3,0,0]=4 2943 B11R1.30 CCCN(C)Cc1ccn[nH]1 269982a_100000747261_100000728653 [0,1,0,0,0,0|3,0,0]=4 2944 B11R1.30 CCCN(C)Cc1ccoc1 270004a_100000747261_100011215517 [0,1,0,0,0,0|3,0,0]=4 2945 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000747261_100000234950 [0,1,0,0,0,0|3,0,0]=4 2946 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000757864_100000210303 [0,1,0,0,0,0|3,0,0]=4 2947 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000747261_100000234950 [0,1,0,0,0,0|3,0,0]=4 2948 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000757864_100000210303 [0,1,0,0,0,0|3,0,0]=4 2949 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100000747261_100011261437 [0,1,0,0,0,0|3,0,0]=4 2950 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100020654213_100000210303 [0,1,0,0,0,0|3,0,0]=4 2951 B11R1.30 CCCN(C)Cc1ccsc1 2230a_200015183331_200000210301 [0,1,0,0,0,0|3,0,0]=4 2952 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100000747261_100011233845 [0,1,0,0,0,0|3,0,0]=4 2953 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100020654213_100000210303 [0,1,0,0,0,0|3,0,0]=4 2954 B11R1.30 CCCN(C)Cc1ccsc1 269982a_200015183331_200000210301 [0,1,0,0,0,0|3,0,0]=4 2955 B11R1.30 CCCN(C)Cc1ccsc1 270004a_100000747261_100000188534 [0,1,0,0,0,0|3,0,0]=4 2956 B11R1.30 CCCN(C)Cc1cnco1 270004a_100000747261_100000064291 [0,1,0,0,0,0|2,0,0]=3 2957 B11R1.30 CCCN(C)Cc1cncs1 2230a_100000747261_100015185245 [0,1,0,0,0,0|2,1,0]=4 2958 B11R1.30 CCCN(C)Cc1cncs1 269982a_100000747261_100015185245 [0,1,0,0,0,0|2,1,0]=4 2959 B11R1.30 CCCN(C)Cc1cncs1 270004a_100000747261_100000749870 [0,1,0,0,0,0|2,1,0]=4 2960 B11R1.30 CCCN(C)Cc1cocn1 270004a_100000747261_100000050382 [0,1,0,0,0,0|3,0,0]=4 2961 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000225794_100000210303 [0,1,0,0,0,0|3,0,0]=4 2962 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000747261_100000205941 [0,1,0,0,0,0|3,0,0]=4 2963 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000225794_100000210303 [0,1,0,0,0,0|3,0,0]=4 2964 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000747261_100000205941 [0,1,0,0,0,0|3,0,0]=4 2965 B11R1.30 CCCN(C)Cc1cscn1 270004a_100000747261_100000743575 [0,1,0,0,0,0|3,0,0]=4 2966 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100000747261_100016991755 [0,1,0,0,0,0|3,0,0]=4 2967 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210303 [0,1,0,0,0,0|3,0,0]=4 2968 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100000747261_100016991755 [0,1,0,0,0,0|3,0,0]=4 2969 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210303 [0,1,0,0,0,0|3,0,0]=4 2970 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,1,0,0,0,0|2,0,0]=3 2971 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,1,0,0,0,0|2,0,0]=3 2972 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,1,0,0,0,0|2,0,0]=3 2973 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000747261_100015184050 [0,1,0,0,0,0|2,1,0]=4 2974 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000765864_100000210303 [0,1,0,0,0,0|2,1,0]=4 2975 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000747261_100015184050 [0,1,0,0,0,0|2,1,0]=4 2976 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000765864_100000210303 [0,1,0,0,0,0|2,1,0]=4 2977 B11R1.30 CCCN(C)Cc1nccs1 270004a_100000747261_100000750902 [0,1,0,0,0,0|2,1,0]=4 2978 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,1,0,0,0,0|1,0,0]=2 2979 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,1,0,0,0,0|1,0,0]=2 2980 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,1,0,0,0,0|1,1,0]=3 2981 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,1,0,0,0,0|1,1,0]=3 2982 B11R1.30 CCCN([13CH3])Cc1ccsc1 2230a_200015183331_200025704644 [0,1,0,0,0,0|3,0,0]=4 2983 B11R1.30 CCCN([13CH3])Cc1ccsc1 269982a_200015183331_200025704644 [0,1,0,0,0,0|3,0,0]=4 2984 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,1,0,0,0,0|2,0,1]=4 2985 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,1,0,0,0,0|2,0,1]=4 2986 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,1,0,0,0,0|2,0,1]=4 2987 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,1,0,0,0,0|1,0,1]=3 2988 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,1,0,0,0,0|1,0,1]=3 2989 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,1,0,0,0,0|1,1,1]=4 2990 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,1,0,0,0,0|1,1,1]=4 2991 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,1,0,0,0,0|1,0,0]=2 2992 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,1,0,0,0,0|1,1,0]=3 2993 B11R1.30 CCNC(C)Cc1ccsc1 2230a_100000743546_100000210202 [0,1,0,0,0,0|3,0,0]=4 2994 B11R1.30 CCNC(C)Cc1ccsc1 34a_100000743546_100000210202 [0,1,0,0,0,0|3,0,0]=4 2995 B11R1.30 CCNC(C)Cn1cccn1 2230a_100000738251_100000210202 [0,1,0,0,0,0|3,0,0]=4 2996 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,1,0,0,0,0|1,0,0]=2 2997 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,1,0,0,0,0|1,0,0]=2 2998 B11R1.30 CN(CC#N)Cc1ccco1 2230a_100000185268_100011215382 [0,1,0,0,0,0|2,0,1]=4 2999 B11R1.30 CN(CC#N)Cc1ccco1 269982a_100000185268_100011214920 [0,1,0,0,0,0|2,0,1]=4 3000 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,1,0,0,0,0|2,0,1]=4 3001 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,1,0,0,0,0|2,0,1]=4 3002 B11R1.30 CN(CCF)Cc1ccco1 2230a_100000185268_100011217306 [0,1,0,0,0,0|2,0,0]=3 3003 B11R1.30 CN(CCF)Cc1ccco1 269982a_100000185268_100011217306 [0,1,0,0,0,0|2,0,0]=3 3004 B11R1.30 CN(CCF)Cc1cccs1 2230a_100000184426_100011217306 [0,1,0,0,0,0|2,1,0]=4 3005 B11R1.30 CN(CCF)Cc1cccs1 269982a_100000184426_100011217306 [0,1,0,0,0,0|2,1,0]=4 3006 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000185268_100000211926 [0,1,0,0,0,0|2,0,0]=3 3007 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000200452_200000210301 [0,1,0,0,0,0|2,0,0]=3 3008 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000185268_100000211926 [0,1,0,0,0,0|2,0,0]=3 3009 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000200452_200000210301 [0,1,0,0,0,0|2,0,0]=3 3010 B11R1.30 CN(CCO)Cc1ccco1 270004a_100000210263_100000186105 [0,1,0,0,0,0|2,0,0]=3 3011 B11R1.30 CN(CCO)Cc1cccs1 2230a_100000184426_100000211926 [0,1,0,0,0,0|2,1,0]=4 3012 B11R1.30 CN(CCO)Cc1cccs1 2230a_200000200436_200000210301 [0,1,0,0,0,0|2,1,0]=4 3013 B11R1.30 CN(CCO)Cc1cccs1 269982a_100000184426_100000211926 [0,1,0,0,0,0|2,1,0]=4 3014 B11R1.30 CN(CCO)Cc1cccs1 269982a_200000200436_200000210301 [0,1,0,0,0,0|2,1,0]=4 3015 B11R1.30 CN(CCO)Cc1cccs1 270004a_100000210263_100000209959 [0,1,0,0,0,0|2,1,0]=4 3016 B11R1.30 CN(CCO)Cc1cnco1 270004a_100000210263_100000064291 [0,1,0,0,0,0|3,0,0]=4 3017 B11R1.30 CN(CCO)Cc1ncco1 2230a_100000210263_103436540062 [0,1,0,0,0,0|3,0,0]=4 3018 B11R1.30 CN(CCO)Cc1ncco1 269982a_100000210263_103436540062 [0,1,0,0,0,0|3,0,0]=4 3019 B11R1.30 CN(CCO)Cc1ncco1 270004a_100000210263_100000064290 [0,1,0,0,0,0|3,0,0]=4 3020 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,1,0,0,0,0|2,0,1]=4 3021 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,1,0,0,0,0|2,0,1]=4 3022 B11R1.30 COCC(C)Cn1cccn1 34a_100011934653_200000210301 [0,1,0,0,0,0|3,0,0]=4 3023 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [0,1,0,0,0,0|2,0,0]=3 3024 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [0,1,0,0,0,0|2,0,0]=3 3025 B11R1.30 COCC(C)Sc1cccs1 62a_100000765312_100011215356 [0,1,0,0,0,0|2,1,0]=4 3026 B11R1.30 COCC(C)Sc1cccs1 62a_100011215356_100000765312 [0,1,0,0,0,0|2,1,0]=4 3027 B11R1.30 COCC(C)Sc1cnco1 62a_100000765312_100020591547 [0,1,0,0,0,0|3,0,0]=4 3028 B11R1.30 COCC(C)Sc1cnco1 62a_100020591547_100000765312 [0,1,0,0,0,0|3,0,0]=4 3029 B11R1.30 COCC(C)Sc1ncco1 62a_100000765312_100011787736 [0,1,0,0,0,0|3,0,0]=4 3030 B11R1.30 COCC(C)Sc1ncco1 62a_100011787736_100000765312 [0,1,0,0,0,0|3,0,0]=4 3031 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [0,1,0,0,0,0|2,0,0]=3 3032 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [0,1,0,0,0,0|2,0,0]=3 3033 B11R1.30 COCN(C)Cc1cccs1 2230a_100000184426_100000766300 [0,1,0,0,0,0|2,1,0]=4 3034 B11R1.30 COCN(C)Cc1cccs1 269982a_100000184426_100000766300 [0,1,0,0,0,0|2,1,0]=4 3035 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,1,0,0,0,0|2,0,1]=4 3036 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,1,0,0,0,0|2,0,0]=3 3037 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,1,0,0,0,0|2,0,0]=3 3038 B11R1.30 CSCN(C)Cc1cccs1 2230a_100000184426_100011218213 [0,1,0,0,0,0|2,1,0]=4 3039 B11R1.30 CSCN(C)Cc1cccs1 269982a_100000184426_100011218213 [0,1,0,0,0,0|2,1,0]=4 3040 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,1,0,0,0,0|1,0,2]=4 3041 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,1,0,0,0,0|2,0,1]=4 3042 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,1,0,0,0,0|1,0,1]=3 3043 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,1,0,0,0,0|1,1,1]=4 3044 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,1,0,0,0,0|2,0,1]=4 3045 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,1,0,0,0,0|1,0,1]=3 3046 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,1,0,0,0,0|1,1,1]=4 3047 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,1,0,0,0,0|2,0,1]=4 3048 B11R1.30 [13CH3]N(CCO)Cc1ccco1 2230a_100000200452_200025704644 [0,1,0,0,0,0|2,0,0]=3 3049 B11R1.30 [13CH3]N(CCO)Cc1ccco1 269982a_100000200452_200025704644 [0,1,0,0,0,0|2,0,0]=3 3050 B11R1.30 [13CH3]N(CCO)Cc1cccs1 2230a_200000200436_200025704644 [0,1,0,0,0,0|2,1,0]=4 3051 B11R1.30 [13CH3]N(CCO)Cc1cccs1 269982a_200000200436_200025704644 [0,1,0,0,0,0|2,1,0]=4 3052 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,1,0,0,0,0|1,0,1]=3 3053 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,1,0,0,0,0|1,0,1]=3 3054 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,1,0,0,0,0|1,1,1]=4 3055 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,1,0,0,0,0|1,1,1]=4 3056 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [0,1,0,0,0,0|2,0,1]=4 3057 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [0,1,0,0,0,0|2,0,1]=4 3058 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [0,1,0,0,0,0|2,0,1]=4 3059 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [0,1,0,0,0,0|2,0,1]=4 3060 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,1,0,0,0,0|1,0,1]=3 3061 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,1,0,0,0,0|1,0,1]=3 3062 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,1,0,0,0,0|1,1,1]=4 3063 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,1,0,0,0,0|2,0,1]=4 3064 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,1,0,0,0,0|1,0,1]=3 3065 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,1,0,0,0,0|1,1,1]=4 3066 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,1,0,0,0,0|2,0,1]=4 3067 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,1,0,0,0,0|2,0,1]=4 3068 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,1,0,0,0,0|2,0,1]=4 3069 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,1,0,0,0,0|2,0,1]=4 3070 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,1,0,0,0,0|2,0,1]=4 3071 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,1,0,0,0,0|1,0,2]=4 3072 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,1,0,0,0,0|1,0,2]=4 3073 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,1,0,0,0,0|1,0,2]=4 3074 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,1,0,0,0,0|1,0,2]=4 3075 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,1,0,0,0,0|1,0,2]=4 3076 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,1,0,0,0,0|0,1,1]=3 3077 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,1,0,0,0,0|0,1,1]=3 3078 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,1,0,0,0,0|2,0,1]=4 3079 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,1,0,0,0,0|2,0,1]=4 3080 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,1,0,0,0,0|2,0,1]=4 3081 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,1,0,0,0,0|2,0,1]=4 3082 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,1,0,0,0,0|1,0,1]=3 3083 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,1,0,0,0,0|1,0,1]=3 3084 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,1,0,0,0,0|1,1,1]=4 3085 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,1,0,0,0,0|1,1,1]=4 3086 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,1,0,0,0,0|2,0,1]=4 3087 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,1,0,0,0,0|2,0,1]=4 3088 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,1,0,0,0,0|2,0,1]=4 3089 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,1,0,0,0,0|2,0,1]=4 3090 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,1,0,0,0,0|2,0,1]=4 3091 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,1,0,0,0,0|1,0,1]=3 3092 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,1,0,0,0,0|1,0,1]=3 3093 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,1,0,0,0,0|1,0,1]=3 3094 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,1,0,0,0,0|1,0,1]=3 3095 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,1,0,0,0,0|1,1,1]=4 3096 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,1,0,0,0,0|1,1,1]=4 3097 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,1,0,0,0,0|1,1,1]=4 3098 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,1,0,0,0,0|1,1,1]=4 3099 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,1,0,0,0,0|2,0,1]=4 3100 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,1,0,0,0,0|2,0,1]=4 3101 B11R1.172 CC(Br)COCc1c[nH]cn1 34a_100012180447_100000707719 [0,1,0,0,0,0|3,0,0]=4 3102 B11R1.172 CC(Br)COCc1ccn[nH]1 34a_100012180447_100000728653 [0,1,0,0,0,0|3,0,0]=4 3103 B11R1.172 CC(Br)COCc1ccon1 34a_100012180447_100000234950 [0,1,0,0,0,0|3,0,0]=4 3104 B11R1.172 CC(Br)COCc1ccsc1 34a_100012180447_100011261437 [0,1,0,0,0,0|3,0,0]=4 3105 B11R1.172 CC(Br)COCc1cncs1 34a_100012180447_100015185245 [0,1,0,0,0,0|2,1,0]=4 3106 B11R1.172 CC(Br)COCc1cscn1 34a_100012180447_100000205941 [0,1,0,0,0,0|3,0,0]=4 3107 B11R1.172 CC(Br)COCc1ncc[nH]1 34a_100012180447_100016991755 [0,1,0,0,0,0|3,0,0]=4 3108 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,1,0,0,0,0|2,0,0]=3 3109 B11R1.172 CC(Br)COCc1nccs1 34a_100012180447_100015184050 [0,1,0,0,0,0|2,1,0]=4 3110 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,1,0,0,0,0|0,0,2]=3 3111 B11R1.172 CC(C)CC=Cc1cccs1 271570a_100016259101_100011215356 [0,1,0,0,0,0|0,1,2]=4 3112 B11R1.172 CC(C)CC=Cc1cnco1 271570a_100016259101_100020591547 [0,1,0,0,0,0|1,0,2]=4 3113 B11R1.172 CC(C)CC=Cc1ncco1 271570a_100016259101_100011787736 [0,1,0,0,0,0|1,0,2]=4 3114 B11R1.172 CC(C)CCCN1CC=CC1 269982a_100015195280_100011214892 [0,1,0,0,0,0|2,0,1]=4 3115 B11R1.172 CC(C)CCOc1ccsc1 34a_100000106738_100000210312 [0,1,0,0,0,0|3,0,0]=4 3116 B11R1.172 CC(C)CCOc1ccsc1 7a_100000106738_100000210626 [0,1,0,0,0,0|3,0,0]=4 3117 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000210312_100000756875 [0,1,0,0,0,0|3,0,0]=4 3118 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000756875_100000210312 [0,1,0,0,0,0|3,0,0]=4 3119 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000062575_100000210312 [0,1,0,0,0,0|3,0,0]=4 3120 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000210312_100000062575 [0,1,0,0,0,0|3,0,0]=4 3121 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,1,0,0,0,0|1,0,0]=2 3122 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,1,0,0,0,0|1,0,0]=2 3123 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,1,0,0,0,0|1,1,0]=3 3124 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,1,0,0,0,0|1,1,0]=3 3125 B11R1.172 CC(C)CCSc1ccoc1 62a_100000210312_100011215275 [0,1,0,0,0,0|3,0,0]=4 3126 B11R1.172 CC(C)CCSc1ccoc1 62a_100011215275_100000210312 [0,1,0,0,0,0|3,0,0]=4 3127 B11R1.172 CC(C)CCSc1ccon1 62a_100000210312_100009818083 [0,1,0,0,0,0|3,0,0]=4 3128 B11R1.172 CC(C)CCSc1ccon1 62a_100009818083_100000210312 [0,1,0,0,0,0|3,0,0]=4 3129 B11R1.172 CC(C)CCSc1ccsc1 62a_100000210312_100000738268 [0,1,0,0,0,0|3,0,0]=4 3130 B11R1.172 CC(C)CCSc1ccsc1 62a_100000738268_100000210312 [0,1,0,0,0,0|3,0,0]=4 3131 B11R1.172 CC(C)CCSc1ccsn1 62a_100000210312_100009818082 [0,1,0,0,0,0|3,0,0]=4 3132 B11R1.172 CC(C)CCSc1ccsn1 62a_100009818082_100000210312 [0,1,0,0,0,0|3,0,0]=4 3133 B11R1.172 CC(C)CCSc1cnco1 62a_100000210312_100020591547 [0,1,0,0,0,0|2,0,0]=3 3134 B11R1.172 CC(C)CCSc1cnco1 62a_100020591547_100000210312 [0,1,0,0,0,0|2,0,0]=3 3135 B11R1.172 CC(C)CCSc1cncs1 62a_100000210312_100011934649 [0,1,0,0,0,0|2,1,0]=4 3136 B11R1.172 CC(C)CCSc1cncs1 62a_100011934649_100000210312 [0,1,0,0,0,0|2,1,0]=4 3137 B11R1.172 CC(C)CCSc1cscn1 62a_100000210312_100000751502 [0,1,0,0,0,0|3,0,0]=4 3138 B11R1.172 CC(C)CCSc1cscn1 62a_100000751502_100000210312 [0,1,0,0,0,0|3,0,0]=4 3139 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100000210312_100025796157 [0,1,0,0,0,0|3,0,0]=4 3140 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100025796157_100000210312 [0,1,0,0,0,0|3,0,0]=4 3141 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [0,1,0,0,0,0|2,0,0]=3 3142 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [0,1,0,0,0,0|2,0,0]=3 3143 B11R1.172 CC(C)CCSc1nccs1 62a_100000210312_100000211983 [0,1,0,0,0,0|2,1,0]=4 3144 B11R1.172 CC(C)CCSc1nccs1 62a_100000211983_100000210312 [0,1,0,0,0,0|2,1,0]=4 3145 B11R1.172 CC(C)CNCc1c[nH]cn1 2230a_100000210953_100000707719 [0,1,0,0,0,0|3,0,0]=4 3146 B11R1.172 CC(C)CNCc1c[nH]cn1 34a_100000210953_100000707719 [0,1,0,0,0,0|3,0,0]=4 3147 B11R1.172 CC(C)CNCc1cc[nH]n1 207a_100000210953_100000738523 [0,1,0,0,0,0|3,0,0]=4 3148 B11R1.172 CC(C)CNCc1cc[nH]n1 270004a_100000210953_100000738523 [0,1,0,0,0,0|3,0,0]=4 3149 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,1,0,0,0,0|1,0,0]=2 3150 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,1,0,0,0,0|1,0,0]=2 3151 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,1,0,0,0,0|1,0,0]=2 3152 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,1,0,0,0,0|1,0,0]=2 3153 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,1,0,0,0,0|1,0,0]=2 3154 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,1,0,0,0,0|1,1,0]=3 3155 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,1,0,0,0,0|1,1,0]=3 3156 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,1,0,0,0,0|1,1,0]=3 3157 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,1,0,0,0,0|1,1,0]=3 3158 B11R1.172 CC(C)CNCc1ccn[nH]1 2230a_100000210953_100000728653 [0,1,0,0,0,0|3,0,0]=4 3159 B11R1.172 CC(C)CNCc1ccn[nH]1 34a_100000210953_100000728653 [0,1,0,0,0,0|3,0,0]=4 3160 B11R1.172 CC(C)CNCc1ccoc1 207a_100000210953_100011215517 [0,1,0,0,0,0|3,0,0]=4 3161 B11R1.172 CC(C)CNCc1ccoc1 2230a_100015206860_100000210760 [0,1,0,0,0,0|3,0,0]=4 3162 B11R1.172 CC(C)CNCc1ccoc1 270004a_100000210953_100011215517 [0,1,0,0,0,0|3,0,0]=4 3163 B11R1.172 CC(C)CNCc1ccoc1 270004a_100015206860_100000210432 [0,1,0,0,0,0|3,0,0]=4 3164 B11R1.172 CC(C)CNCc1ccoc1 34a_100015206860_100000210624 [0,1,0,0,0,0|3,0,0]=4 3165 B11R1.172 CC(C)CNCc1ccon1 2230a_100000210953_100000234950 [0,1,0,0,0,0|3,0,0]=4 3166 B11R1.172 CC(C)CNCc1ccon1 270004a_100000688301_100000210432 [0,1,0,0,0,0|3,0,0]=4 3167 B11R1.172 CC(C)CNCc1ccon1 34a_100000210953_100000234950 [0,1,0,0,0,0|3,0,0]=4 3168 B11R1.172 CC(C)CNCc1ccsc1 207a_100000210953_100000188534 [0,1,0,0,0,0|3,0,0]=4 3169 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000186416_100000210760 [0,1,0,0,0,0|3,0,0]=4 3170 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000210953_100011261437 [0,1,0,0,0,0|3,0,0]=4 3171 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000186416_100000210432 [0,1,0,0,0,0|3,0,0]=4 3172 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000210953_100000188534 [0,1,0,0,0,0|3,0,0]=4 3173 B11R1.172 CC(C)CNCc1ccsc1 34a_100000186416_100000210624 [0,1,0,0,0,0|3,0,0]=4 3174 B11R1.172 CC(C)CNCc1ccsc1 34a_100000210953_100011261437 [0,1,0,0,0,0|3,0,0]=4 3175 B11R1.172 CC(C)CNCc1cnc[nH]1 207a_100000210953_100000742939 [0,1,0,0,0,0|3,0,0]=4 3176 B11R1.172 CC(C)CNCc1cnco1 270004a_100000210953_100000064291 [0,1,0,0,0,0|2,0,0]=3 3177 B11R1.172 CC(C)CNCc1cnco1 270004a_100020634212_100000210432 [0,1,0,0,0,0|2,0,0]=3 3178 B11R1.172 CC(C)CNCc1cncs1 207a_100000210953_100000749870 [0,1,0,0,0,0|2,1,0]=4 3179 B11R1.172 CC(C)CNCc1cncs1 2230a_100000210953_100015185245 [0,1,0,0,0,0|2,1,0]=4 3180 B11R1.172 CC(C)CNCc1cncs1 2230a_100016987365_100000210760 [0,1,0,0,0,0|2,1,0]=4 3181 B11R1.172 CC(C)CNCc1cncs1 270004a_100000210953_100000749870 [0,1,0,0,0,0|2,1,0]=4 3182 B11R1.172 CC(C)CNCc1cncs1 270004a_100016987365_100000210432 [0,1,0,0,0,0|2,1,0]=4 3183 B11R1.172 CC(C)CNCc1cncs1 34a_100000210953_100015185245 [0,1,0,0,0,0|2,1,0]=4 3184 B11R1.172 CC(C)CNCc1cocn1 270004a_100000210953_100000050382 [0,1,0,0,0,0|3,0,0]=4 3185 B11R1.172 CC(C)CNCc1cocn1 270004a_100015188801_100000210432 [0,1,0,0,0,0|3,0,0]=4 3186 B11R1.172 CC(C)CNCc1cscn1 207a_100000210953_100000743575 [0,1,0,0,0,0|3,0,0]=4 3187 B11R1.172 CC(C)CNCc1cscn1 2230a_100000210953_100000205941 [0,1,0,0,0,0|3,0,0]=4 3188 B11R1.172 CC(C)CNCc1cscn1 2230a_100015185402_100000210760 [0,1,0,0,0,0|3,0,0]=4 3189 B11R1.172 CC(C)CNCc1cscn1 270004a_100000210953_100000743575 [0,1,0,0,0,0|3,0,0]=4 3190 B11R1.172 CC(C)CNCc1cscn1 34a_100000210953_100000205941 [0,1,0,0,0,0|3,0,0]=4 3191 B11R1.172 CC(C)CNCc1ncc[nH]1 207a_100000210953_100000743867 [0,1,0,0,0,0|3,0,0]=4 3192 B11R1.172 CC(C)CNCc1ncc[nH]1 2230a_100000210953_100016991755 [0,1,0,0,0,0|3,0,0]=4 3193 B11R1.172 CC(C)CNCc1ncc[nH]1 270004a_100000754540_100000210432 [0,1,0,0,0,0|3,0,0]=4 3194 B11R1.172 CC(C)CNCc1ncc[nH]1 34a_100000210953_100016991755 [0,1,0,0,0,0|3,0,0]=4 3195 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,1,0,0,0,0|2,0,0]=3 3196 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,1,0,0,0,0|2,0,0]=3 3197 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,1,0,0,0,0|2,0,0]=3 3198 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,1,0,0,0,0|2,0,0]=3 3199 B11R1.172 CC(C)CNCc1nccs1 207a_100000210953_100000750902 [0,1,0,0,0,0|2,1,0]=4 3200 B11R1.172 CC(C)CNCc1nccs1 2230a_100000210953_100015184050 [0,1,0,0,0,0|2,1,0]=4 3201 B11R1.172 CC(C)CNCc1nccs1 2230a_100000740555_100000210760 [0,1,0,0,0,0|2,1,0]=4 3202 B11R1.172 CC(C)CNCc1nccs1 270004a_100000210953_100000750902 [0,1,0,0,0,0|2,1,0]=4 3203 B11R1.172 CC(C)CNCc1nccs1 270004a_100000740555_100000210432 [0,1,0,0,0,0|2,1,0]=4 3204 B11R1.172 CC(C)CNCc1nccs1 34a_100000210953_100015184050 [0,1,0,0,0,0|2,1,0]=4 3205 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,1,0,0,0,0|3,0,0]=4 3206 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,1,0,0,0,0|1,0,0]=2 3207 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,1,0,0,0,0|1,1,0]=3 3208 B11R1.172 CC(C)COCc1ccn[nH]1 34a_100000210257_100000728653 [0,1,0,0,0,0|3,0,0]=4 3209 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,1,0,0,0,0|2,0,0]=3 3210 B11R1.172 CC(C)COCc1ccoc1 34a_100011215357_100000210624 [0,1,0,0,0,0|3,0,0]=4 3211 B11R1.172 CC(C)COCc1ccon1 34a_100000210257_100000234950 [0,1,0,0,0,0|3,0,0]=4 3212 B11R1.172 CC(C)COCc1ccsc1 34a_100000210257_100011261437 [0,1,0,0,0,0|3,0,0]=4 3213 B11R1.172 CC(C)COCc1ccsc1 34a_100011215551_100000210624 [0,1,0,0,0,0|3,0,0]=4 3214 B11R1.172 CC(C)COCc1cncs1 34a_100000210257_100015185245 [0,1,0,0,0,0|2,1,0]=4 3215 B11R1.172 CC(C)COCc1cscn1 34a_100000210257_100000205941 [0,1,0,0,0,0|3,0,0]=4 3216 B11R1.172 CC(C)COCc1ncc[nH]1 34a_100000210257_100016991755 [0,1,0,0,0,0|3,0,0]=4 3217 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,1,0,0,0,0|2,0,0]=3 3218 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,1,0,0,0,0|2,0,0]=3 3219 B11R1.172 CC(C)COCc1nccs1 34a_100000210257_100015184050 [0,1,0,0,0,0|2,1,0]=4 3220 B11R1.172 CC(C)COCn1cccn1 34a_100000731028_100000210624 [0,1,0,0,0,0|3,0,0]=4 3221 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,1,0,0,0,0|3,0,0]=4 3222 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,1,0,0,0,0|3,0,0]=4 3223 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000210624_100000728653 [0,1,0,0,0,0|3,0,0]=4 3224 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000728653_100000210760 [0,1,0,0,0,0|3,0,0]=4 3225 B11R1.172 CC(C)CSCc1ccon1 62a_100000210624_100000234950 [0,1,0,0,0,0|3,0,0]=4 3226 B11R1.172 CC(C)CSCc1ccon1 62a_100000234950_100000210760 [0,1,0,0,0,0|3,0,0]=4 3227 B11R1.172 CC(C)CSCc1ccsc1 62a_100000210624_100011233845 [0,1,0,0,0,0|3,0,0]=4 3228 B11R1.172 CC(C)CSCc1ccsc1 62a_100011261437_100000210760 [0,1,0,0,0,0|3,0,0]=4 3229 B11R1.172 CC(C)CSCc1cncs1 62a_100000210624_100015185245 [0,1,0,0,0,0|2,1,0]=4 3230 B11R1.172 CC(C)CSCc1cncs1 62a_100015185245_100000210760 [0,1,0,0,0,0|2,1,0]=4 3231 B11R1.172 CC(C)CSCc1cscn1 62a_100000205941_100000210760 [0,1,0,0,0,0|3,0,0]=4 3232 B11R1.172 CC(C)CSCc1cscn1 62a_100000210624_100000205941 [0,1,0,0,0,0|3,0,0]=4 3233 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100000210624_100016991755 [0,1,0,0,0,0|3,0,0]=4 3234 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100016991755_100000210760 [0,1,0,0,0,0|3,0,0]=4 3235 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,1,0,0,0,0|2,0,0]=3 3236 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,1,0,0,0,0|2,0,0]=3 3237 B11R1.172 CC(C)CSCc1nccs1 62a_100000210624_100015184050 [0,1,0,0,0,0|2,1,0]=4 3238 B11R1.172 CC(C)CSCc1nccs1 62a_100015184050_100000210760 [0,1,0,0,0,0|2,1,0]=4 3239 B11R1.172 CC(C)NCCc1c[nH]cn1 2230a_100138425928_100020628418 [0,1,0,0,0,0|3,0,0]=4 3240 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,1,0,0,0,0|1,0,0]=2 3241 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,1,0,0,0,0|1,0,0]=2 3242 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,1,0,0,0,0|1,1,0]=3 3243 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,1,0,0,0,0|1,1,0]=3 3244 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,1,0,0,0,0|1,1,0]=3 3245 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,1,0,0,0,0|1,1,0]=3 3246 B11R1.172 CC(C)NCCc1ccsc1 2230a_100000692642_100000210206 [0,1,0,0,0,0|3,0,0]=4 3247 B11R1.172 CC(C)NCCc1ccsc1 34a_100000692642_100000210206 [0,1,0,0,0,0|3,0,0]=4 3248 B11R1.172 CC(C)NCCc1cncs1 2230a_100016991637_100000210206 [0,1,0,0,0,0|2,1,0]=4 3249 B11R1.172 CC(C)NCCc1nccs1 2230a_100015186391_100000210206 [0,1,0,0,0,0|2,1,0]=4 3250 B11R1.172 CC(C)NCCn1cccc1 2230a_100138425928_200009811947 [0,1,0,0,0,0|3,0,0]=4 3251 B11R1.172 CC(C)NCCn1cccc1 34a_100011368172_100000210206 [0,1,0,0,0,0|3,0,0]=4 3252 B11R1.172 CC(C)NCCn1cccn1 2230a_100011200920_100000210206 [0,1,0,0,0,0|3,0,0]=4 3253 B11R1.172 CC(C)NCCn1cccn1 2230a_100138425928_100000685285 [0,1,0,0,0,0|3,0,0]=4 3254 B11R1.172 CC(C)NCCn1cccn1 34a_100138425928_100015204718 [0,1,0,0,0,0|3,0,0]=4 3255 B11R1.172 CC(C)NN=Cc1ccco1 4a_100000741168_100000186105 [0,1,0,0,0,0|2,0,1]=4 3256 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,1,0,0,0,0|1,1,0]=3 3257 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,1,0,0,0,0|1,1,0]=3 3258 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,1,0,0,0,0|1,1,0]=3 3259 B11R1.172 CC(C)OCCc1ccsc1 34a_100000748821_100000210206 [0,1,0,0,0,0|3,0,0]=4 3260 B11R1.172 CC(C)OCCc1ncc[nH]1 34a_103549771195_100000210206 [0,1,0,0,0,0|3,0,0]=4 3261 B11R1.172 CC(C)OCCn1cccc1 34a_100000179382_100000210206 [0,1,0,0,0,0|3,0,0]=4 3262 B11R1.172 CC(C)OCCn1cccn1 34a_100000212225_100015204718 [0,1,0,0,0,0|3,0,0]=4 3263 B11R1.172 CC(C)OCCn1cccn1 34a_100000743371_100000210206 [0,1,0,0,0,0|3,0,0]=4 3264 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,1,0,0,0,0|2,0,0]=3 3265 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,1,0,0,0,0|2,0,0]=3 3266 B11R1.172 CC(C)OCSc1cccs1 62a_100000709892_100011215356 [0,1,0,0,0,0|2,1,0]=4 3267 B11R1.172 CC(C)OCSc1cccs1 62a_100011215356_100000709892 [0,1,0,0,0,0|2,1,0]=4 3268 B11R1.172 CC(C)OCSc1cnco1 62a_100000709892_100020591547 [0,1,0,0,0,0|3,0,0]=4 3269 B11R1.172 CC(C)OCSc1cnco1 62a_100020591547_100000709892 [0,1,0,0,0,0|3,0,0]=4 3270 B11R1.172 CC(C)OCSc1ncco1 62a_100000709892_100011787736 [0,1,0,0,0,0|3,0,0]=4 3271 B11R1.172 CC(C)OCSc1ncco1 62a_100011787736_100000709892 [0,1,0,0,0,0|3,0,0]=4 3272 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100000210206_100020628418 [0,1,0,0,0,0|3,0,0]=4 3273 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100020628418_100000210206 [0,1,0,0,0,0|3,0,0]=4 3274 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,1,0,0,0,0|1,1,0]=3 3275 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,1,0,0,0,0|1,1,0]=3 3276 B11R1.172 CC(C)SCCn1cccc1 62a_100000210206_200000035178 [0,1,0,0,0,0|3,0,0]=4 3277 B11R1.172 CC(C)SCCn1cccc1 62a_200009811947_100000210206 [0,1,0,0,0,0|3,0,0]=4 3278 B11R1.172 CC(C)SCCn1cccn1 62a_100000210206_100000685285 [0,1,0,0,0,0|3,0,0]=4 3279 B11R1.172 CC(C)SCCn1cccn1 62a_100015204718_100000210206 [0,1,0,0,0,0|3,0,0]=4 3280 B11R1.172 CC(F)COCc1c[nH]cn1 34a_100015925927_100000707719 [0,1,0,0,0,0|3,0,0]=4 3281 B11R1.172 CC(F)COCc1ccn[nH]1 34a_100015925927_100000728653 [0,1,0,0,0,0|3,0,0]=4 3282 B11R1.172 CC(F)COCc1ccon1 34a_100015925927_100000234950 [0,1,0,0,0,0|3,0,0]=4 3283 B11R1.172 CC(F)COCc1ccsc1 34a_100015925927_100011261437 [0,1,0,0,0,0|3,0,0]=4 3284 B11R1.172 CC(F)COCc1cncs1 34a_100015925927_100015185245 [0,1,0,0,0,0|2,1,0]=4 3285 B11R1.172 CC(F)COCc1cscn1 34a_100015925927_100000205941 [0,1,0,0,0,0|3,0,0]=4 3286 B11R1.172 CC(F)COCc1ncc[nH]1 34a_100015925927_100016991755 [0,1,0,0,0,0|3,0,0]=4 3287 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,1,0,0,0,0|2,0,0]=3 3288 B11R1.172 CC(F)COCc1nccs1 34a_100015925927_100015184050 [0,1,0,0,0,0|2,1,0]=4 3289 B11R1.172 CC(O)CCCN1CC=CC1 269982a_100015195280_200000718107 [0,1,0,0,0,0|2,0,1]=4 3290 B11R1.172 CC(O)CCOc1ccsc1 34a_100000106738_100012276601 [0,1,0,0,0,0|3,0,0]=4 3291 B11R1.172 CC(O)CCOc1ccsc1 7a_100000106738_100012276601 [0,1,0,0,0,0|3,0,0]=4 3292 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100000756875_100012276601 [0,1,0,0,0,0|3,0,0]=4 3293 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100012276601_100000756875 [0,1,0,0,0,0|3,0,0]=4 3294 B11R1.172 CC(O)CCSc1cc[nH]n1 62a_100000062575_100012276601 [0,1,0,0,0,0|3,0,0]=4 3295 B11R1.172 CC(O)CCSc1cc[nH]n1 62a_100012276601_100000062575 [0,1,0,0,0,0|3,0,0]=4 3296 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,1,0,0,0,0|1,0,0]=2 3297 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,1,0,0,0,0|1,0,0]=2 3298 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,1,0,0,0,0|1,1,0]=3 3299 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,1,0,0,0,0|1,1,0]=3 3300 B11R1.172 CC(O)CCSc1ccoc1 62a_100011215275_100012276601 [0,1,0,0,0,0|3,0,0]=4 3301 B11R1.172 CC(O)CCSc1ccoc1 62a_100012276601_100011215275 [0,1,0,0,0,0|3,0,0]=4 3302 B11R1.172 CC(O)CCSc1ccon1 62a_100009818083_100012276601 [0,1,0,0,0,0|3,0,0]=4 3303 B11R1.172 CC(O)CCSc1ccon1 62a_100012276601_100009818083 [0,1,0,0,0,0|3,0,0]=4 3304 B11R1.172 CC(O)CCSc1ccsc1 62a_100000738268_100012276601 [0,1,0,0,0,0|3,0,0]=4 3305 B11R1.172 CC(O)CCSc1ccsc1 62a_100012276601_100000738268 [0,1,0,0,0,0|3,0,0]=4 3306 B11R1.172 CC(O)CCSc1ccsn1 62a_100009818082_100012276601 [0,1,0,0,0,0|3,0,0]=4 3307 B11R1.172 CC(O)CCSc1ccsn1 62a_100012276601_100009818082 [0,1,0,0,0,0|3,0,0]=4 3308 B11R1.172 CC(O)CCSc1cnco1 62a_100012276601_100020591547 [0,1,0,0,0,0|2,0,0]=3 3309 B11R1.172 CC(O)CCSc1cnco1 62a_100020591547_100012276601 [0,1,0,0,0,0|2,0,0]=3 3310 B11R1.172 CC(O)CCSc1cncs1 62a_100011934649_100012276601 [0,1,0,0,0,0|2,1,0]=4 3311 B11R1.172 CC(O)CCSc1cncs1 62a_100012276601_100011934649 [0,1,0,0,0,0|2,1,0]=4 3312 B11R1.172 CC(O)CCSc1cscn1 62a_100000751502_100012276601 [0,1,0,0,0,0|3,0,0]=4 3313 B11R1.172 CC(O)CCSc1cscn1 62a_100012276601_100000751502 [0,1,0,0,0,0|3,0,0]=4 3314 B11R1.172 CC(O)CCSc1ncc[nH]1 62a_100012276601_100025796157 [0,1,0,0,0,0|3,0,0]=4 3315 B11R1.172 CC(O)CCSc1ncc[nH]1 62a_100025796157_100012276601 [0,1,0,0,0,0|3,0,0]=4 3316 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [0,1,0,0,0,0|2,0,0]=3 3317 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [0,1,0,0,0,0|2,0,0]=3 3318 B11R1.172 CC(O)CCSc1nccs1 62a_100000211983_100012276601 [0,1,0,0,0,0|2,1,0]=4 3319 B11R1.172 CC(O)CCSc1nccs1 62a_100012276601_100000211983 [0,1,0,0,0,0|2,1,0]=4 3320 B11R1.172 CC(O)CNCc1c[nH]cn1 2230a_100000210904_100000707719 [0,1,0,0,0,0|3,0,0]=4 3321 B11R1.172 CC(O)CNCc1c[nH]cn1 34a_100000210904_100000707719 [0,1,0,0,0,0|3,0,0]=4 3322 B11R1.172 CC(O)CNCc1cc[nH]n1 207a_100000210904_100000738523 [0,1,0,0,0,0|3,0,0]=4 3323 B11R1.172 CC(O)CNCc1cc[nH]n1 270004a_100000210904_100000738523 [0,1,0,0,0,0|3,0,0]=4 3324 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,1,0,0,0,0|1,0,0]=2 3325 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,1,0,0,0,0|1,0,0]=2 3326 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,1,0,0,0,0|1,0,0]=2 3327 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,1,0,0,0,0|1,0,0]=2 3328 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,1,0,0,0,0|1,1,0]=3 3329 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,1,0,0,0,0|1,1,0]=3 3330 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,1,0,0,0,0|1,1,0]=3 3331 B11R1.172 CC(O)CNCc1ccn[nH]1 2230a_100000210904_100000728653 [0,1,0,0,0,0|3,0,0]=4 3332 B11R1.172 CC(O)CNCc1ccn[nH]1 34a_100000210904_100000728653 [0,1,0,0,0,0|3,0,0]=4 3333 B11R1.172 CC(O)CNCc1ccoc1 207a_100000210904_100011215517 [0,1,0,0,0,0|3,0,0]=4 3334 B11R1.172 CC(O)CNCc1ccoc1 2230a_100015206860_100011218427 [0,1,0,0,0,0|3,0,0]=4 3335 B11R1.172 CC(O)CNCc1ccoc1 270004a_100000210904_100011215517 [0,1,0,0,0,0|3,0,0]=4 3336 B11R1.172 CC(O)CNCc1ccoc1 34a_100015206860_100011218427 [0,1,0,0,0,0|3,0,0]=4 3337 B11R1.172 CC(O)CNCc1ccon1 2230a_100000210904_100000234950 [0,1,0,0,0,0|3,0,0]=4 3338 B11R1.172 CC(O)CNCc1ccon1 34a_100000210904_100000234950 [0,1,0,0,0,0|3,0,0]=4 3339 B11R1.172 CC(O)CNCc1ccsc1 207a_100000210904_100000188534 [0,1,0,0,0,0|3,0,0]=4 3340 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000186416_100011218427 [0,1,0,0,0,0|3,0,0]=4 3341 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000210904_100011261437 [0,1,0,0,0,0|3,0,0]=4 3342 B11R1.172 CC(O)CNCc1ccsc1 270004a_100000210904_100000188534 [0,1,0,0,0,0|3,0,0]=4 3343 B11R1.172 CC(O)CNCc1ccsc1 34a_100000186416_100011218427 [0,1,0,0,0,0|3,0,0]=4 3344 B11R1.172 CC(O)CNCc1ccsc1 34a_100000210904_100011261437 [0,1,0,0,0,0|3,0,0]=4 3345 B11R1.172 CC(O)CNCc1cnc[nH]1 207a_100000210904_100000742939 [0,1,0,0,0,0|3,0,0]=4 3346 B11R1.172 CC(O)CNCc1cnco1 270004a_100000210904_100000064291 [0,1,0,0,0,0|2,0,0]=3 3347 B11R1.172 CC(O)CNCc1cncs1 207a_100000210904_100000749870 [0,1,0,0,0,0|2,1,0]=4 3348 B11R1.172 CC(O)CNCc1cncs1 2230a_100000210904_100015185245 [0,1,0,0,0,0|2,1,0]=4 3349 B11R1.172 CC(O)CNCc1cncs1 2230a_100016987365_100011218427 [0,1,0,0,0,0|2,1,0]=4 3350 B11R1.172 CC(O)CNCc1cncs1 270004a_100000210904_100000749870 [0,1,0,0,0,0|2,1,0]=4 3351 B11R1.172 CC(O)CNCc1cncs1 34a_100000210904_100015185245 [0,1,0,0,0,0|2,1,0]=4 3352 B11R1.172 CC(O)CNCc1cocn1 270004a_100000210904_100000050382 [0,1,0,0,0,0|3,0,0]=4 3353 B11R1.172 CC(O)CNCc1cscn1 207a_100000210904_100000743575 [0,1,0,0,0,0|3,0,0]=4 3354 B11R1.172 CC(O)CNCc1cscn1 2230a_100000210904_100000205941 [0,1,0,0,0,0|3,0,0]=4 3355 B11R1.172 CC(O)CNCc1cscn1 2230a_100015185402_100011218427 [0,1,0,0,0,0|3,0,0]=4 3356 B11R1.172 CC(O)CNCc1cscn1 270004a_100000210904_100000743575 [0,1,0,0,0,0|3,0,0]=4 3357 B11R1.172 CC(O)CNCc1cscn1 34a_100000210904_100000205941 [0,1,0,0,0,0|3,0,0]=4 3358 B11R1.172 CC(O)CNCc1ncc[nH]1 207a_100000210904_100000743867 [0,1,0,0,0,0|3,0,0]=4 3359 B11R1.172 CC(O)CNCc1ncc[nH]1 2230a_100000210904_100016991755 [0,1,0,0,0,0|3,0,0]=4 3360 B11R1.172 CC(O)CNCc1ncc[nH]1 34a_100000210904_100016991755 [0,1,0,0,0,0|3,0,0]=4 3361 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,1,0,0,0,0|2,0,0]=3 3362 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,1,0,0,0,0|2,0,0]=3 3363 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,1,0,0,0,0|2,0,0]=3 3364 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,1,0,0,0,0|2,0,0]=3 3365 B11R1.172 CC(O)CNCc1nccs1 207a_100000210904_100000750902 [0,1,0,0,0,0|2,1,0]=4 3366 B11R1.172 CC(O)CNCc1nccs1 2230a_100000210904_100015184050 [0,1,0,0,0,0|2,1,0]=4 3367 B11R1.172 CC(O)CNCc1nccs1 2230a_100000740555_100011218427 [0,1,0,0,0,0|2,1,0]=4 3368 B11R1.172 CC(O)CNCc1nccs1 270004a_100000210904_100000750902 [0,1,0,0,0,0|2,1,0]=4 3369 B11R1.172 CC(O)CNCc1nccs1 34a_100000210904_100015184050 [0,1,0,0,0,0|2,1,0]=4 3370 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,1,0,0,0,0|1,0,0]=2 3371 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,1,0,0,0,0|1,1,0]=3 3372 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,1,0,0,0,0|2,0,0]=3 3373 B11R1.172 CC(O)COCc1ccoc1 34a_100011215357_100011218427 [0,1,0,0,0,0|3,0,0]=4 3374 B11R1.172 CC(O)COCc1ccsc1 34a_100011215551_100011218427 [0,1,0,0,0,0|3,0,0]=4 3375 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,1,0,0,0,0|2,0,0]=3 3376 B11R1.172 CC(O)COCn1cccn1 34a_100000731028_100011218427 [0,1,0,0,0,0|3,0,0]=4 3377 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,1,0,0,0,0|3,0,0]=4 3378 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,1,0,0,0,0|3,0,0]=4 3379 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100000728653_100011218427 [0,1,0,0,0,0|3,0,0]=4 3380 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100011218427_100000728653 [0,1,0,0,0,0|3,0,0]=4 3381 B11R1.172 CC(O)CSCc1ccon1 62a_100000234950_100011218427 [0,1,0,0,0,0|3,0,0]=4 3382 B11R1.172 CC(O)CSCc1ccon1 62a_100011218427_100000234950 [0,1,0,0,0,0|3,0,0]=4 3383 B11R1.172 CC(O)CSCc1ccsc1 62a_100011218427_100011233845 [0,1,0,0,0,0|3,0,0]=4 3384 B11R1.172 CC(O)CSCc1ccsc1 62a_100011261437_100011218427 [0,1,0,0,0,0|3,0,0]=4 3385 B11R1.172 CC(O)CSCc1cncs1 62a_100011218427_100015185245 [0,1,0,0,0,0|2,1,0]=4 3386 B11R1.172 CC(O)CSCc1cncs1 62a_100015185245_100011218427 [0,1,0,0,0,0|2,1,0]=4 3387 B11R1.172 CC(O)CSCc1cscn1 62a_100000205941_100011218427 [0,1,0,0,0,0|3,0,0]=4 3388 B11R1.172 CC(O)CSCc1cscn1 62a_100011218427_100000205941 [0,1,0,0,0,0|3,0,0]=4 3389 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100011218427_100016991755 [0,1,0,0,0,0|3,0,0]=4 3390 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100016991755_100011218427 [0,1,0,0,0,0|3,0,0]=4 3391 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,1,0,0,0,0|2,0,0]=3 3392 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,1,0,0,0,0|2,0,0]=3 3393 B11R1.172 CC(O)CSCc1nccs1 62a_100011218427_100015184050 [0,1,0,0,0,0|2,1,0]=4 3394 B11R1.172 CC(O)CSCc1nccs1 62a_100015184050_100011218427 [0,1,0,0,0,0|2,1,0]=4 3395 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,1,0,0,0,0|1,0,2]=4 3396 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,1,0,0,0,0|1,1,0]=3 3397 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,1,0,0,0,0|1,1,0]=3 3398 B11R1.172 CN(C)CCCn1cccc1 2230a_100102631434_200009814367 [0,1,0,0,0,0|3,0,0]=4 3399 B11R1.172 CN(C)CCCn1cccc1 269982a_100102631434_200009814367 [0,1,0,0,0,0|3,0,0]=4 3400 B11R1.172 CN(C)CCCn1cccn1 2230a_100102631434_100000739983 [0,1,0,0,0,0|3,0,0]=4 3401 B11R1.172 CN(C)CCCn1cccn1 269982a_100102631434_100000739983 [0,1,0,0,0,0|3,0,0]=4 3402 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,1,0,0,0,0|2,0,0]=3 3403 B11R1.172 CN(C)CCSc1cccs1 62a_100011215356_100000755713 [0,1,0,0,0,0|2,1,0]=4 3404 B11R1.172 CN(C)CCSc1cnco1 62a_100020591547_100000755713 [0,1,0,0,0,0|3,0,0]=4 3405 B11R1.172 CN(C)CCSc1ncco1 62a_100011787736_100000755713 [0,1,0,0,0,0|3,0,0]=4 3406 B11R1.172 C[C@@H](Cl)COCc1c[nH]cn1 34a_100016084084_100000707719 [0,1,0,0,0,0|3,0,0]=4 3407 B11R1.172 C[C@@H](Cl)COCc1ccn[nH]1 34a_100016084084_100000728653 [0,1,0,0,0,0|3,0,0]=4 3408 B11R1.172 C[C@@H](Cl)COCc1ccon1 34a_100016084084_100000234950 [0,1,0,0,0,0|3,0,0]=4 3409 B11R1.172 C[C@@H](Cl)COCc1ccsc1 34a_100016084084_100011261437 [0,1,0,0,0,0|3,0,0]=4 3410 B11R1.172 C[C@@H](Cl)COCc1cncs1 34a_100016084084_100015185245 [0,1,0,0,0,0|2,1,0]=4 3411 B11R1.172 C[C@@H](Cl)COCc1cscn1 34a_100016084084_100000205941 [0,1,0,0,0,0|3,0,0]=4 3412 B11R1.172 C[C@@H](Cl)COCc1ncc[nH]1 34a_100016084084_100016991755 [0,1,0,0,0,0|3,0,0]=4 3413 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,1,0,0,0,0|2,0,0]=3 3414 B11R1.172 C[C@@H](Cl)COCc1nccs1 34a_100016084084_100015184050 [0,1,0,0,0,0|2,1,0]=4 3415 B11R1.172 C[C@@H](N)COCc1c[nH]cn1 34a_100000737577_100000707719 [0,1,0,0,0,0|3,0,0]=4 3416 B11R1.172 C[C@@H](N)COCc1ccn[nH]1 34a_100000737577_100000728653 [0,1,0,0,0,0|3,0,0]=4 3417 B11R1.172 C[C@@H](N)COCc1ccon1 34a_100000737577_100000234950 [0,1,0,0,0,0|3,0,0]=4 3418 B11R1.172 C[C@@H](N)COCc1ccsc1 34a_100000737577_100011261437 [0,1,0,0,0,0|3,0,0]=4 3419 B11R1.172 C[C@@H](N)COCc1cncs1 34a_100000737577_100015185245 [0,1,0,0,0,0|2,1,0]=4 3420 B11R1.172 C[C@@H](N)COCc1cscn1 34a_100000737577_100000205941 [0,1,0,0,0,0|3,0,0]=4 3421 B11R1.172 C[C@@H](N)COCc1ncc[nH]1 34a_100000737577_100016991755 [0,1,0,0,0,0|3,0,0]=4 3422 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,1,0,0,0,0|2,0,0]=3 3423 B11R1.172 C[C@@H](N)COCc1nccs1 34a_100000737577_100015184050 [0,1,0,0,0,0|2,1,0]=4 3424 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,1,0,0,0,0|1,0,0]=2 3425 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,1,0,0,0,0|1,0,0]=2 3426 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,1,0,0,0,0|1,1,0]=3 3427 B11R1.172 C[C@@H](O)CNCc1ccoc1 2230a_100015206860_100009817552 [0,1,0,0,0,0|3,0,0]=4 3428 B11R1.172 C[C@@H](O)CNCc1ccoc1 34a_100015206860_100009817552 [0,1,0,0,0,0|3,0,0]=4 3429 B11R1.172 C[C@@H](O)CNCc1ccsc1 2230a_100000186416_100009817552 [0,1,0,0,0,0|3,0,0]=4 3430 B11R1.172 C[C@@H](O)CNCc1ccsc1 34a_100000186416_100009817552 [0,1,0,0,0,0|3,0,0]=4 3431 B11R1.172 C[C@@H](O)CNCc1cncs1 2230a_100016987365_100009817552 [0,1,0,0,0,0|2,1,0]=4 3432 B11R1.172 C[C@@H](O)CNCc1cscn1 2230a_100015185402_100009817552 [0,1,0,0,0,0|3,0,0]=4 3433 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,1,0,0,0,0|2,0,0]=3 3434 B11R1.172 C[C@@H](O)CNCc1nccs1 2230a_100000740555_100009817552 [0,1,0,0,0,0|2,1,0]=4 3435 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,1,0,0,0,0|1,0,0]=2 3436 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,1,0,0,0,0|1,1,0]=3 3437 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,1,0,0,0,0|2,0,0]=3 3438 B11R1.172 C[C@@H](O)COCc1ccoc1 34a_100011215357_100009817552 [0,1,0,0,0,0|3,0,0]=4 3439 B11R1.172 C[C@@H](O)COCc1ccsc1 34a_100011215551_100009817552 [0,1,0,0,0,0|3,0,0]=4 3440 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,1,0,0,0,0|2,0,0]=3 3441 B11R1.172 C[C@@H](O)COCn1cccn1 34a_100000731028_100009817552 [0,1,0,0,0,0|3,0,0]=4 3442 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,1,0,0,0,0|3,0,0]=4 3443 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,1,0,0,0,0|3,0,0]=4 3444 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100000728653_100009817552 [0,1,0,0,0,0|3,0,0]=4 3445 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100009817552_100000728653 [0,1,0,0,0,0|3,0,0]=4 3446 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100000234950_100009817552 [0,1,0,0,0,0|3,0,0]=4 3447 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100009817552_100000234950 [0,1,0,0,0,0|3,0,0]=4 3448 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100009817552_100011233845 [0,1,0,0,0,0|3,0,0]=4 3449 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100011261437_100009817552 [0,1,0,0,0,0|3,0,0]=4 3450 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100009817552_100015185245 [0,1,0,0,0,0|2,1,0]=4 3451 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100015185245_100009817552 [0,1,0,0,0,0|2,1,0]=4 3452 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100000205941_100009817552 [0,1,0,0,0,0|3,0,0]=4 3453 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100009817552_100000205941 [0,1,0,0,0,0|3,0,0]=4 3454 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100009817552_100016991755 [0,1,0,0,0,0|3,0,0]=4 3455 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100016991755_100009817552 [0,1,0,0,0,0|3,0,0]=4 3456 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,1,0,0,0,0|2,0,0]=3 3457 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,1,0,0,0,0|2,0,0]=3 3458 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100009817552_100015184050 [0,1,0,0,0,0|2,1,0]=4 3459 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100015184050_100009817552 [0,1,0,0,0,0|2,1,0]=4 3460 B11R1.172 FC(F)CNCc1ccco1 207a_100000765723_100000186105 [0,1,0,0,0,0|2,0,0]=3 3461 B11R1.172 FC(F)CNCc1ccco1 2230a_100000185738_100011934356 [0,1,0,0,0,0|2,0,0]=3 3462 B11R1.172 FC(F)CNCc1ccco1 270004a_100000765723_100000186105 [0,1,0,0,0,0|2,0,0]=3 3463 B11R1.172 FC(F)CNCc1ccco1 34a_100000185738_100011934356 [0,1,0,0,0,0|2,0,0]=3 3464 B11R1.172 FC(F)CNCc1cccs1 207a_100000765723_100000209959 [0,1,0,0,0,0|2,1,0]=4 3465 B11R1.172 FC(F)CNCc1cccs1 2230a_100000211653_100011934356 [0,1,0,0,0,0|2,1,0]=4 3466 B11R1.172 FC(F)CNCc1cccs1 270004a_100000765723_100000209959 [0,1,0,0,0,0|2,1,0]=4 3467 B11R1.172 FC(F)CNCc1cnco1 270004a_100000765723_100000064291 [0,1,0,0,0,0|3,0,0]=4 3468 B11R1.172 FC(F)CNCc1ncco1 2230a_100016994969_100011934356 [0,1,0,0,0,0|3,0,0]=4 3469 B11R1.172 FC(F)CNCc1ncco1 270004a_100000765723_100000064290 [0,1,0,0,0,0|3,0,0]=4 3470 B11R1.172 FC(F)CNCc1ncco1 34a_100000765723_103436540062 [0,1,0,0,0,0|3,0,0]=4 3471 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,1,0,0,0,0|2,0,0]=3 3472 B11R1.172 FC(F)COCc1cccs1 34a_100000211240_100011934356 [0,1,0,0,0,0|2,1,0]=4 3473 B11R1.172 FC(F)COCc1ccno1 34a_100000740478_100011934356 [0,1,0,0,0,0|3,0,0]=4 3474 B11R1.172 FC(F)COCc1ncco1 34a_100000062594_100011934356 [0,1,0,0,0,0|3,0,0]=4 3475 B11R1.172 FC(F)COCc1ncco1 34a_100000743014_103436540062 [0,1,0,0,0,0|3,0,0]=4 3476 B11R1.172 FC(F)CSCc1ncco1 62a_100011934356_103436540062 [0,1,0,0,0,0|3,0,0]=4 3477 B11R1.172 FC(F)CSCc1ncco1 62a_103436540062_100011934356 [0,1,0,0,0,0|3,0,0]=4 3478 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,1,0,0,0,0|2,0,1]=4 3479 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,1,0,0,0,0|2,0,1]=4 3480 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,1,0,0,0,0|2,0,1]=4 3481 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,1,0,0,0,0|2,0,1]=4 3482 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,1,0,0,0,0|2,0,1]=4 3483 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,1,0,0,0,0|2,0,1]=4 3484 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,1,0,0,0,0|2,0,1]=4 3485 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,1,0,0,0,0|3,0,0]=4 3486 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,1,0,0,0,0|3,0,0]=4 3487 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,1,0,0,0,0|0,1,1]=3 3488 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,1,0,0,0,0|2,0,1]=4 3489 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,1,0,0,0,0|2,0,1]=4 3490 B11R1.180 C#CCOCc1occc1C 34a_100011273948_100000184674 [0,1,0,0,0,0|1,0,2]=4 3491 B11R1.180 C#CCOCc1occc1C 7a_100011273948_100000038162 [0,1,0,0,0,0|1,0,2]=4 3492 B11R1.180 C=CCNCc1occc1Br 270004a_100020586998_100000756499 [0,1,0,0,0,0|1,0,2]=4 3493 B11R1.180 C=CCNCc1occc1C 270004a_100020586998_100000763527 [0,1,0,0,0,0|1,0,2]=4 3494 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [0,1,0,0,0,0|1,0,2]=4 3495 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [0,1,0,0,0,0|1,0,2]=4 3496 B11R1.180 CCCC=Cc1sccc1Br 271570a_100016258520_100012361411 [0,1,0,0,0,0|0,1,2]=4 3497 B11R1.180 CCCC=Cc1sccc1C 271570a_100016258520_100000742657 [0,1,0,0,0,0|0,1,2]=4 3498 B11R1.180 CCCCOc1ccnn1C 34a_100020632926_100000210210 [0,1,0,0,0,0|3,0,0]=4 3499 B11R1.180 CCCCSc1[nH]cnc1Cl 62a_100000210211_100010200774 [0,1,0,0,0,0|3,0,0]=4 3500 B11R1.180 CCCCSc1[nH]cnc1Cl 62a_100010200774_100000210210 [0,1,0,0,0,0|3,0,0]=4 3501 B11R1.180 CCCCSc1ccnn1C 62a_100000210211_100000688441 [0,1,0,0,0,0|3,0,0]=4 3502 B11R1.180 CCCCSc1ccnn1C 62a_100000688441_100000210210 [0,1,0,0,0,0|3,0,0]=4 3503 B11R1.180 CCCCSc1ccsc1C 62a_100000210211_100000684487 [0,1,0,0,0,0|3,0,0]=4 3504 B11R1.180 CCCCSc1ccsc1C 62a_100000684487_100000210210 [0,1,0,0,0,0|3,0,0]=4 3505 B11R1.180 CCCCSc1cncn1C 62a_100000210211_100009814087 [0,1,0,0,0,0|3,0,0]=4 3506 B11R1.180 CCCCSc1cncn1C 62a_100009814087_100000210210 [0,1,0,0,0,0|3,0,0]=4 3507 B11R1.180 CCCCSc1cscc1Br 62a_100000210211_100010143727 [0,1,0,0,0,0|3,0,0]=4 3508 B11R1.180 CCCCSc1cscc1Br 62a_100010143727_100000210210 [0,1,0,0,0,0|3,0,0]=4 3509 B11R1.180 CCCCSc1cscc1C 62a_100000210211_100000759966 [0,1,0,0,0,0|3,0,0]=4 3510 B11R1.180 CCCCSc1cscc1C 62a_100000759966_100000210210 [0,1,0,0,0,0|3,0,0]=4 3511 B11R1.180 CCCCSc1n[nH]cc1Br 62a_100000210211_100015839836 [0,1,0,0,0,0|3,0,0]=4 3512 B11R1.180 CCCCSc1n[nH]cc1Br 62a_100015839836_100000210210 [0,1,0,0,0,0|3,0,0]=4 3513 B11R1.180 CCCCSc1n[nH]cc1C 62a_100000210211_100009871783 [0,1,0,0,0,0|3,0,0]=4 3514 B11R1.180 CCCCSc1n[nH]cc1C 62a_100009871783_100000210210 [0,1,0,0,0,0|3,0,0]=4 3515 B11R1.180 CCCCSc1n[nH]cc1N 62a_100000210211_100010894806 [0,1,0,0,0,0|3,0,0]=4 3516 B11R1.180 CCCCSc1n[nH]cc1N 62a_100010894806_100000210210 [0,1,0,0,0,0|3,0,0]=4 3517 B11R1.180 CCCCSc1nc[nH]c1C 62a_100000210211_100010186451 [0,1,0,0,0,0|3,0,0]=4 3518 B11R1.180 CCCCSc1nc[nH]c1C 62a_100010186451_100000210210 [0,1,0,0,0,0|3,0,0]=4 3519 B11R1.180 CCCCSc1nccn1C 62a_100000210211_100000707724 [0,1,0,0,0,0|3,0,0]=4 3520 B11R1.180 CCCCSc1nccn1C 62a_100000707724_100000210210 [0,1,0,0,0,0|3,0,0]=4 3521 B11R1.180 CCCCSc1ncsc1C 62a_100000210211_100000732656 [0,1,0,0,0,0|3,0,0]=4 3522 B11R1.180 CCCCSc1ncsc1C 62a_100000732656_100000210210 [0,1,0,0,0,0|3,0,0]=4 3523 B11R1.180 CCCCSc1sccc1Br 62a_100000210211_100012361411 [0,1,0,0,0,0|1,1,0]=3 3524 B11R1.180 CCCCSc1sccc1Br 62a_100012361411_100000210210 [0,1,0,0,0,0|1,1,0]=3 3525 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [0,1,0,0,0,0|1,1,0]=3 3526 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [0,1,0,0,0,0|1,1,0]=3 3527 B11R1.180 CCCCSc1scnc1C 62a_100000210211_100009817116 [0,1,0,0,0,0|2,1,0]=4 3528 B11R1.180 CCCCSc1scnc1C 62a_100009817116_100000210210 [0,1,0,0,0,0|2,1,0]=4 3529 B11R1.180 CCCNCc1[nH]ncc1Br 207a_100020643023_100000732679 [0,1,0,0,0,0|3,0,0]=4 3530 B11R1.180 CCCNCc1[nH]ncc1Br 270004a_100020643023_100000732679 [0,1,0,0,0,0|3,0,0]=4 3531 B11R1.180 CCCNCc1[nH]ncc1C 207a_100020643023_100000708485 [0,1,0,0,0,0|3,0,0]=4 3532 B11R1.180 CCCNCc1[nH]ncc1C 270004a_100020643023_100000708485 [0,1,0,0,0,0|3,0,0]=4 3533 B11R1.180 CCCNCc1cccn1C 270004a_100020643023_100000211633 [0,1,0,0,0,0|2,0,0]=3 3534 B11R1.180 CCCNCc1cccn1C 34a_100011219357_100000210303 [0,1,0,0,0,0|2,0,0]=3 3535 B11R1.180 CCCNCc1ccnn1C 207a_100020643023_100000737161 [0,1,0,0,0,0|3,0,0]=4 3536 B11R1.180 CCCNCc1ccnn1C 270004a_100020643023_100000737161 [0,1,0,0,0,0|3,0,0]=4 3537 B11R1.180 CCCNCc1ccnn1C 34a_100025706696_100000210303 [0,1,0,0,0,0|3,0,0]=4 3538 B11R1.180 CCCNCc1ccsc1Br 207a_100020643023_100009816921 [0,1,0,0,0,0|3,0,0]=4 3539 B11R1.180 CCCNCc1ccsc1Br 2230a_100000727803_100000210303 [0,1,0,0,0,0|3,0,0]=4 3540 B11R1.180 CCCNCc1ccsc1Br 270004a_100020643023_100009816921 [0,1,0,0,0,0|3,0,0]=4 3541 B11R1.180 CCCNCc1ccsc1Br 34a_100000727803_100000210303 [0,1,0,0,0,0|3,0,0]=4 3542 B11R1.180 CCCNCc1ccsc1Cl 207a_100020643023_100000089901 [0,1,0,0,0,0|3,0,0]=4 3543 B11R1.180 CCCNCc1ccsc1Cl 270004a_100020643023_100000089901 [0,1,0,0,0,0|3,0,0]=4 3544 B11R1.180 CCCNCc1cncn1C 207a_100020643023_100000750899 [0,1,0,0,0,0|3,0,0]=4 3545 B11R1.180 CCCNCc1cncn1C 270004a_100020643023_100000750899 [0,1,0,0,0,0|3,0,0]=4 3546 B11R1.180 CCCNCc1cscc1Br 207a_100020643023_100000685484 [0,1,0,0,0,0|3,0,0]=4 3547 B11R1.180 CCCNCc1cscc1Br 270004a_100020643023_100000685484 [0,1,0,0,0,0|3,0,0]=4 3548 B11R1.180 CCCNCc1n[nH]cc1Cl 207a_100020643023_100000040271 [0,1,0,0,0,0|3,0,0]=4 3549 B11R1.180 CCCNCc1n[nH]cc1Cl 270004a_100020643023_100000040271 [0,1,0,0,0,0|3,0,0]=4 3550 B11R1.180 CCCNCc1nc[nH]c1C 207a_100020643023_100000032982 [0,1,0,0,0,0|3,0,0]=4 3551 B11R1.180 CCCNCc1nccn1C 207a_100020643023_100000748660 [0,1,0,0,0,0|3,0,0]=4 3552 B11R1.180 CCCNCc1nccn1C 2230a_100015186572_100000210303 [0,1,0,0,0,0|3,0,0]=4 3553 B11R1.180 CCCNCc1nccn1C 270004a_100020643023_100000748660 [0,1,0,0,0,0|3,0,0]=4 3554 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [0,1,0,0,0,0|1,0,0]=2 3555 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [0,1,0,0,0,0|1,0,0]=2 3556 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [0,1,0,0,0,0|1,0,0]=2 3557 B11R1.180 CCCNCc1sccc1Br 207a_100020643023_100000766043 [0,1,0,0,0,0|1,1,0]=3 3558 B11R1.180 CCCNCc1sccc1Br 270004a_100020643023_100000766043 [0,1,0,0,0,0|1,1,0]=3 3559 B11R1.180 CCCNCc1sccc1C 207a_100020643023_100000210881 [0,1,0,0,0,0|1,1,0]=3 3560 B11R1.180 CCCNCc1sccc1C 2230a_100000238519_100000210303 [0,1,0,0,0,0|1,1,0]=3 3561 B11R1.180 CCCNCc1sccc1C 270004a_100020643023_100000210881 [0,1,0,0,0,0|1,1,0]=3 3562 B11R1.180 CCCNCc1sccc1C 34a_100000238519_100000210303 [0,1,0,0,0,0|1,1,0]=3 3563 B11R1.180 CCCNCc1sccc1Cl 207a_100020643023_100000722334 [0,1,0,0,0,0|1,1,0]=3 3564 B11R1.180 CCCNCc1sccc1Cl 2230a_100011934584_100000210303 [0,1,0,0,0,0|1,1,0]=3 3565 B11R1.180 CCCNCc1sccc1Cl 270004a_100020643023_100000722334 [0,1,0,0,0,0|1,1,0]=3 3566 B11R1.180 CCCNCc1sccc1Cl 34a_100011934584_100000210303 [0,1,0,0,0,0|1,1,0]=3 3567 B11R1.180 CCCNCc1scnc1C 207a_100020643023_100000764165 [0,1,0,0,0,0|2,1,0]=4 3568 B11R1.180 CCCNCc1scnc1C 2230a_100000752186_100000210303 [0,1,0,0,0,0|2,1,0]=4 3569 B11R1.180 CCCOCc1ccnn1C 34a_100000210258_100000691648 [0,1,0,0,0,0|3,0,0]=4 3570 B11R1.180 CCCOCc1ccnn1C 34a_100000684702_100000210303 [0,1,0,0,0,0|3,0,0]=4 3571 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [0,1,0,0,0,0|3,0,0]=4 3572 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [0,1,0,0,0,0|3,0,0]=4 3573 B11R1.180 CCCOCc1ccsc1Br 34a_100000210258_100009814289 [0,1,0,0,0,0|3,0,0]=4 3574 B11R1.180 CCCOCc1ccsc1Br 34a_100009816922_100000210303 [0,1,0,0,0,0|3,0,0]=4 3575 B11R1.180 CCCOCc1ccsc1Br 7a_100009816922_100000210303 [0,1,0,0,0,0|3,0,0]=4 3576 B11R1.180 CCCOCc1ccsc1Cl 34a_100000210258_100010167017 [0,1,0,0,0,0|3,0,0]=4 3577 B11R1.180 CCCOCc1cscc1Br 34a_100000724555_100000210303 [0,1,0,0,0,0|3,0,0]=4 3578 B11R1.180 CCCOCc1nccn1C 34a_100000210258_100000700302 [0,1,0,0,0,0|3,0,0]=4 3579 B11R1.180 CCCOCc1nccn1C 7a_100000691215_100000210303 [0,1,0,0,0,0|3,0,0]=4 3580 B11R1.180 CCCOCc1ncoc1C 34a_100000210258_200000693990 [0,1,0,0,0,0|3,0,0]=4 3581 B11R1.180 CCCOCc1ncoc1C 34a_100012017639_100000210303 [0,1,0,0,0,0|3,0,0]=4 3582 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [0,1,0,0,0,0|1,0,0]=2 3583 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [0,1,0,0,0,0|1,0,0]=2 3584 B11R1.180 CCCOCc1ocnc1C 34a_100000717716_100000210303 [0,1,0,0,0,0|2,0,0]=3 3585 B11R1.180 CCCOCc1ocnc1C 7a_100000717716_100000210303 [0,1,0,0,0,0|2,0,0]=3 3586 B11R1.180 CCCOCc1oncc1C 34a_200011065769_100000210303 [0,1,0,0,0,0|2,0,0]=3 3587 B11R1.180 CCCOCc1sccc1Br 34a_100000702026_100000210303 [0,1,0,0,0,0|1,1,0]=3 3588 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [0,1,0,0,0,0|1,1,0]=3 3589 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [0,1,0,0,0,0|1,1,0]=3 3590 B11R1.180 CCCOCc1sccc1Cl 34a_100000722387_100000210303 [0,1,0,0,0,0|1,1,0]=3 3591 B11R1.180 CCCOCc1sccc1Cl 7a_100000722387_100000210303 [0,1,0,0,0,0|1,1,0]=3 3592 B11R1.180 CCCOCc1scnc1Br 7a_100012000948_100000210303 [0,1,0,0,0,0|2,1,0]=4 3593 B11R1.180 CCCOCc1scnc1C 34a_100000750112_100000210303 [0,1,0,0,0,0|2,1,0]=4 3594 B11R1.180 CCCOCc1scnc1C 7a_100000750112_100000210303 [0,1,0,0,0,0|2,1,0]=4 3595 B11R1.180 CCCSCc1ccnn1C 62a_100000210303_100000691648 [0,1,0,0,0,0|3,0,0]=4 3596 B11R1.180 CCCSCc1ccnn1C 62a_100000691648_100000210303 [0,1,0,0,0,0|3,0,0]=4 3597 B11R1.180 CCCSCc1ccsc1Br 62a_100000210303_100009814289 [0,1,0,0,0,0|3,0,0]=4 3598 B11R1.180 CCCSCc1ccsc1Br 62a_100009814289_100000210303 [0,1,0,0,0,0|3,0,0]=4 3599 B11R1.180 CCCSCc1ccsc1Cl 62a_100000210303_100010167017 [0,1,0,0,0,0|3,0,0]=4 3600 B11R1.180 CCCSCc1ccsc1Cl 62a_100010167017_100000210303 [0,1,0,0,0,0|3,0,0]=4 3601 B11R1.180 CCCSCc1nc[nH]c1C 62a_100000210303_100000751220 [0,1,0,0,0,0|3,0,0]=4 3602 B11R1.180 CCCSCc1nc[nH]c1C 62a_100000751220_100000210303 [0,1,0,0,0,0|3,0,0]=4 3603 B11R1.180 CCCSCc1nccn1C 62a_100000210303_100000700302 [0,1,0,0,0,0|3,0,0]=4 3604 B11R1.180 CCCSCc1nccn1C 62a_100000700302_100000210303 [0,1,0,0,0,0|3,0,0]=4 3605 B11R1.180 CCCSCc1ncoc1C 62a_100000210303_200000693990 [0,1,0,0,0,0|3,0,0]=4 3606 B11R1.180 CCCSCc1ncoc1C 62a_200000693990_100000210303 [0,1,0,0,0,0|3,0,0]=4 3607 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,1,0,0,0,0|2,0,0]=3 3608 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,1,0,0,0,0|2,0,0]=3 3609 B11R1.180 CCNCCc1scnc1C 2230a_100000238517_100000210202 [0,1,0,0,0,0|2,1,0]=4 3610 B11R1.180 CCNCCc1scnc1C 2230a_100015525214_100000057103 [0,1,0,0,0,0|2,1,0]=4 3611 B11R1.180 CCNCCc1scnc1C 34a_100000238517_100000210202 [0,1,0,0,0,0|2,1,0]=4 3612 B11R1.180 CCNCCn1nccc1C 2230a_100015525214_100011934269 [0,1,0,0,0,0|3,0,0]=4 3613 B11R1.180 CCNN=Cc1occc1Br 4a_100000756455_100000756499 [0,1,0,0,0,0|2,0,1]=4 3614 B11R1.180 CCNN=Cc1occc1C 4a_100000756455_100000763527 [0,1,0,0,0,0|2,0,1]=4 3615 B11R1.180 CCOCCc1scnc1C 34a_100000211055_100000210202 [0,1,0,0,0,0|2,1,0]=4 3616 B11R1.180 CCOCCc1scnc1C 34a_100121572206_100000057103 [0,1,0,0,0,0|2,1,0]=4 3617 B11R1.180 CCOCCc1scnc1C 7a_100000211055_100000210202 [0,1,0,0,0,0|2,1,0]=4 3618 B11R1.180 CCOCCn1nccc1N 34a_100000701086_100000210202 [0,1,0,0,0,0|3,0,0]=4 3619 B11R1.180 CCOCSc1sccc1Br 62a_100000739092_100012361411 [0,1,0,0,0,0|2,1,0]=4 3620 B11R1.180 CCOCSc1sccc1Br 62a_100012361411_100000739092 [0,1,0,0,0,0|2,1,0]=4 3621 B11R1.180 CCOCSc1sccc1C 62a_100000739092_100010247149 [0,1,0,0,0,0|2,1,0]=4 3622 B11R1.180 CCOCSc1sccc1C 62a_100010247149_100000739092 [0,1,0,0,0,0|2,1,0]=4 3623 B11R1.180 CCSCCc1scnc1C 62a_100000057103_100000210202 [0,1,0,0,0,0|2,1,0]=4 3624 B11R1.180 CCSCCc1scnc1C 62a_100000210202_100000057103 [0,1,0,0,0,0|2,1,0]=4 3625 B11R1.180 CCSCCn1nccc1C 62a_100000210202_100011934269 [0,1,0,0,0,0|3,0,0]=4 3626 B11R1.180 CCSCCn1nccc1C 62a_100011934269_100000210202 [0,1,0,0,0,0|3,0,0]=4 3627 B11R1.180 COCCSc1sccc1Br 62a_100000233755_100012361411 [0,1,0,0,0,0|2,1,0]=4 3628 B11R1.180 COCCSc1sccc1Br 62a_100012361411_100000233755 [0,1,0,0,0,0|2,1,0]=4 3629 B11R1.180 COCCSc1sccc1C 62a_100000233755_100010247149 [0,1,0,0,0,0|2,1,0]=4 3630 B11R1.180 COCCSc1sccc1C 62a_100010247149_100000233755 [0,1,0,0,0,0|2,1,0]=4 3631 B11R1.180 COCNCc1sccc1C 2230a_100000238519_100000766300 [0,1,0,0,0,0|2,1,0]=4 3632 B11R1.180 COCNCc1sccc1Cl 2230a_100011934584_100000766300 [0,1,0,0,0,0|2,1,0]=4 3633 B11R1.180 CSCCSc1sccc1Br 62a_100000212216_100012361411 [0,1,0,0,0,0|2,1,0]=4 3634 B11R1.180 CSCCSc1sccc1Br 62a_100012361411_100000751147 [0,1,0,0,0,0|2,1,0]=4 3635 B11R1.180 CSCCSc1sccc1C 62a_100000212216_100010247149 [0,1,0,0,0,0|2,1,0]=4 3636 B11R1.180 CSCCSc1sccc1C 62a_100010247149_100000751147 [0,1,0,0,0,0|2,1,0]=4 3637 B11R1.180 CSCNCc1cccn1C 34a_100011219357_100011218213 [0,1,0,0,0,0|3,0,0]=4 3638 B11R1.180 CSCNCc1sccc1C 2230a_100000238519_100011218213 [0,1,0,0,0,0|2,1,0]=4 3639 B11R1.180 CSCNCc1sccc1C 34a_100000238519_100011218213 [0,1,0,0,0,0|2,1,0]=4 3640 B11R1.180 CSCNCc1sccc1Cl 2230a_100011934584_100011218213 [0,1,0,0,0,0|2,1,0]=4 3641 B11R1.180 CSCNCc1sccc1Cl 34a_100011934584_100011218213 [0,1,0,0,0,0|2,1,0]=4 3642 B11R1.180 CSCOCc1occc1C 34a_100011273948_100011218213 [0,1,0,0,0,0|2,0,0]=3 3643 B11R1.180 CSCOCc1ocnc1C 34a_100000717716_100011218213 [0,1,0,0,0,0|3,0,0]=4 3644 B11R1.180 CSCOCc1oncc1C 34a_200011065769_100011218213 [0,1,0,0,0,0|3,0,0]=4 3645 B11R1.180 CSCOCc1sccc1Br 34a_100000702026_100011218213 [0,1,0,0,0,0|2,1,0]=4 3646 B11R1.180 CSCOCc1sccc1C 34a_100000238368_100011218213 [0,1,0,0,0,0|2,1,0]=4 3647 B11R1.180 CSCOCc1sccc1Cl 34a_100000722387_100011218213 [0,1,0,0,0,0|2,1,0]=4 3648 B11R1.180 Cc1ccoc1CNCCO 207a_100000210304_100000763527 [0,1,0,0,0,0|2,0,0]=3 3649 B11R1.180 Cc1ccoc1CNCCO 270004a_100000210304_100000763527 [0,1,0,0,0,0|2,0,0]=3 3650 B11R1.180 Cc1ccoc1COCC#N 7a_100011273948_100011215382 [0,1,0,0,0,0|2,0,1]=4 3651 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [0,1,0,0,0,0|2,0,1]=4 3652 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [0,1,0,0,0,0|2,0,1]=4 3653 B11R1.180 Cc1ccoc1COCCF 34a_100011273948_100011217306 [0,1,0,0,0,0|2,0,0]=3 3654 B11R1.180 Cc1ccoc1COCCF 7a_100011273948_100011217306 [0,1,0,0,0,0|2,0,0]=3 3655 B11R1.180 Cc1ccoc1COCCO 34a_100011273948_100000211926 [0,1,0,0,0,0|2,0,0]=3 3656 B11R1.180 Cc1ccoc1COCCO 7a_100011273948_100000211926 [0,1,0,0,0,0|2,0,0]=3 3657 B11R1.180 Cc1ccsc1CNCCF 2230a_100000238519_100011217306 [0,1,0,0,0,0|2,1,0]=4 3658 B11R1.180 Cc1ccsc1CNCCF 34a_100000238519_100011217306 [0,1,0,0,0,0|2,1,0]=4 3659 B11R1.180 Cc1ccsc1CNCCO 207a_100000210304_100000210881 [0,1,0,0,0,0|2,1,0]=4 3660 B11R1.180 Cc1ccsc1CNCCO 2230a_100000238519_100000211926 [0,1,0,0,0,0|2,1,0]=4 3661 B11R1.180 Cc1ccsc1CNCCO 270004a_100000210304_100000210881 [0,1,0,0,0,0|2,1,0]=4 3662 B11R1.180 Cc1ccsc1CNCCO 34a_100000238519_100000211926 [0,1,0,0,0,0|2,1,0]=4 3663 B11R1.180 Cc1ccsc1COCCF 34a_100000238368_100011217306 [0,1,0,0,0,0|2,1,0]=4 3664 B11R1.180 Cc1ccsc1COCCF 7a_100000238368_100011217306 [0,1,0,0,0,0|2,1,0]=4 3665 B11R1.180 Cc1ccsc1COCCO 34a_100000238368_100000211926 [0,1,0,0,0,0|2,1,0]=4 3666 B11R1.180 Cc1ccsc1COCCO 7a_100000238368_100000211926 [0,1,0,0,0,0|2,1,0]=4 3667 B11R1.180 Cc1ccsc1SCCCF 62a_100010247149_100011934791 [0,1,0,0,0,0|2,1,0]=4 3668 B11R1.180 Cc1ccsc1SCCCF 62a_100011934791_100010247149 [0,1,0,0,0,0|2,1,0]=4 3669 B11R1.180 Cc1ccsc1SCCCO 62a_100010247149_100011215043 [0,1,0,0,0,0|2,1,0]=4 3670 B11R1.180 Cc1ccsc1SCCCO 62a_100011215043_100010247149 [0,1,0,0,0,0|2,1,0]=4 3671 B11R1.180 Cc1cnoc1COCCF 34a_200011065769_100011217306 [0,1,0,0,0,0|3,0,0]=4 3672 B11R1.180 Cc1cnoc1COCCO 34a_200011065769_100000211926 [0,1,0,0,0,0|3,0,0]=4 3673 B11R1.180 Cc1ncoc1COCCF 34a_100000717716_100011217306 [0,1,0,0,0,0|3,0,0]=4 3674 B11R1.180 Cc1ncoc1COCCF 7a_100000717716_100011217306 [0,1,0,0,0,0|3,0,0]=4 3675 B11R1.180 Cc1ncoc1COCCO 34a_100000717716_100000211926 [0,1,0,0,0,0|3,0,0]=4 3676 B11R1.180 Cc1ncoc1COCCO 7a_100000717716_100000211926 [0,1,0,0,0,0|3,0,0]=4 3677 B11R1.180 Cn1cccc1CCNCF 34a_100011251756_100015361967 [0,1,0,0,0,0|3,0,0]=4 3678 B11R1.180 Cn1cccc1CNCCF 34a_100011219357_100011217306 [0,1,0,0,0,0|3,0,0]=4 3679 B11R1.180 Cn1cccc1CNCCO 270004a_100000210304_100000211633 [0,1,0,0,0,0|3,0,0]=4 3680 B11R1.180 Cn1cccc1CNCCO 34a_100011219357_100000211926 [0,1,0,0,0,0|3,0,0]=4 3681 B11R1.180 FCCCSc1sccc1Br 62a_100011934791_100012361411 [0,1,0,0,0,0|2,1,0]=4 3682 B11R1.180 FCCCSc1sccc1Br 62a_100012361411_100011934791 [0,1,0,0,0,0|2,1,0]=4 3683 B11R1.180 FCCNCc1sccc1Cl 2230a_100011934584_100011217306 [0,1,0,0,0,0|2,1,0]=4 3684 B11R1.180 FCCNCc1sccc1Cl 34a_100011934584_100011217306 [0,1,0,0,0,0|2,1,0]=4 3685 B11R1.180 FCCOCc1sccc1Br 34a_100000702026_100011217306 [0,1,0,0,0,0|2,1,0]=4 3686 B11R1.180 FCCOCc1sccc1Cl 34a_100000722387_100011217306 [0,1,0,0,0,0|2,1,0]=4 3687 B11R1.180 FCCOCc1sccc1Cl 7a_100000722387_100011217306 [0,1,0,0,0,0|2,1,0]=4 3688 B11R1.180 OCCCSc1sccc1Br 62a_100011215043_100012361411 [0,1,0,0,0,0|2,1,0]=4 3689 B11R1.180 OCCCSc1sccc1Br 62a_100012361411_100011215043 [0,1,0,0,0,0|2,1,0]=4 3690 B11R1.180 OCCNCc1occc1Br 270004a_100000210304_100000756499 [0,1,0,0,0,0|2,0,0]=3 3691 B11R1.180 OCCNCc1sccc1Br 207a_100000210304_100000766043 [0,1,0,0,0,0|2,1,0]=4 3692 B11R1.180 OCCNCc1sccc1Br 270004a_100000210304_100000766043 [0,1,0,0,0,0|2,1,0]=4 3693 B11R1.180 OCCNCc1sccc1Cl 207a_100000210304_100000722334 [0,1,0,0,0,0|2,1,0]=4 3694 B11R1.180 OCCNCc1sccc1Cl 2230a_100011934584_100000211926 [0,1,0,0,0,0|2,1,0]=4 3695 B11R1.180 OCCNCc1sccc1Cl 270004a_100000210304_100000722334 [0,1,0,0,0,0|2,1,0]=4 3696 B11R1.180 OCCNCc1sccc1Cl 34a_100011934584_100000211926 [0,1,0,0,0,0|2,1,0]=4 3697 B11R1.180 OCCOCc1sccc1Br 34a_100000702026_100000211926 [0,1,0,0,0,0|2,1,0]=4 3698 B11R1.180 OCCOCc1sccc1Cl 34a_100000722387_100000211926 [0,1,0,0,0,0|2,1,0]=4 3699 B11R1.180 OCCOCc1sccc1Cl 7a_100000722387_100000211926 [0,1,0,0,0,0|2,1,0]=4 3700 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,0,1,0,0,0|0,0,2]=3 3701 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,0,1,0,0,0|0,0,2]=3 3702 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,0,1,0,0,0|1,0,2]=4 3703 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,0,1,0,0,0|1,0,2]=4 3704 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,0,1,0,0,0|1,0,2]=4 3705 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,0,1,0,0,0|1,0,2]=4 3706 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,0,1,0,0,0|1,0,2]=4 3707 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,0,1,0,0,0|1,0,2]=4 3708 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,0,1,0,0,0|1,0,2]=4 3709 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,0,1,0,0,0|1,0,2]=4 3710 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,0,1,0,0,0|1,0,2]=4 3711 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,0,1,0,0,0|1,0,2]=4 3712 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,0,1,0,0,0|1,0,2]=4 3713 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,0,1,0,0,0|1,0,2]=4 3714 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 3715 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 3716 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 3717 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,0,1,0,0,0|1,0,2]=4 3718 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [0,0,1,0,0,0|2,0,1]=4 3719 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [0,0,1,0,0,0|2,0,1]=4 3720 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [0,0,1,0,0,0|2,0,1]=4 3721 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [0,0,1,0,0,0|2,0,1]=4 3722 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,0,1,0,0,0|3,0,0]=4 3723 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,0,1,0,0,0|3,0,0]=4 3724 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,0,1,0,0,0|3,0,0]=4 3725 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,0,1,0,0,0|3,0,0]=4 3726 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,0,1,0,0,0|2,0,0]=3 3727 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,0,1,0,0,0|3,0,0]=4 3728 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,0,1,0,0,0|2,0,0]=3 3729 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,0,1,0,0,0|2,0,0]=3 3730 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,0,1,0,0,0|3,0,0]=4 3731 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,0,1,0,0,0|3,0,0]=4 3732 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,0,1,0,0,0|3,0,0]=4 3733 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,0,1,0,0,0|3,0,0]=4 3734 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,0,1,0,0,0|3,0,0]=4 3735 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,0,1,0,0,0|3,0,0]=4 3736 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,0,1,0,0,0|3,0,0]=4 3737 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,0,1,0,0,0|3,0,0]=4 3738 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,0,1,0,0,0|0,0,2]=3 3739 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,0,1,0,0,0|1,0,2]=4 3740 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,0,1,0,0,0|1,0,2]=4 3741 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,0,1,0,0,0|1,0,2]=4 3742 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,0,1,0,0,0|1,0,2]=4 3743 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,0,1,0,0,0|1,0,2]=4 3744 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,0,1,0,0,0|1,0,2]=4 3745 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,0,1,0,0,0|1,0,2]=4 3746 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,0,1,0,0,0|1,0,2]=4 3747 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,0,1,0,0,0|1,0,1]=3 3748 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,0,1,0,0,0|1,0,1]=3 3749 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,0,1,0,0,0|1,0,1]=3 3750 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,0,1,0,0,0|2,0,1]=4 3751 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,0,1,0,0,0|2,0,1]=4 3752 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,0,1,0,0,0|2,0,1]=4 3753 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,0,1,0,0,0|2,0,1]=4 3754 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,0,1,0,0,0|2,0,1]=4 3755 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,0,1,0,0,0|2,0,1]=4 3756 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,0,1,0,0,0|2,0,1]=4 3757 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,0,1,0,0,0|2,0,1]=4 3758 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,0,1,0,0,0|2,0,1]=4 3759 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,0,1,0,0,0|2,0,1]=4 3760 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,0,1,0,0,0|2,0,1]=4 3761 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,0,1,0,0,0|2,0,1]=4 3762 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,0,1,0,0,0|2,0,1]=4 3763 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,0,1,0,0,0|2,0,1]=4 3764 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,0,1,0,0,0|2,0,1]=4 3765 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,0,1,0,0,0|2,0,1]=4 3766 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,0,1,0,0,0|2,0,1]=4 3767 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,0,1,0,0,0|2,0,1]=4 3768 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,0,1,0,0,0|2,0,1]=4 3769 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,0,1,0,0,0|2,0,1]=4 3770 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,0,1,0,0,0|2,0,1]=4 3771 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,0,1,0,0,0|2,0,0]=3 3772 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,0,1,0,0,0|3,0,0]=4 3773 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,0,1,0,0,0|3,0,0]=4 3774 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [0,0,1,0,0,0|3,0,0]=4 3775 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,0,1,0,0,0|2,0,1]=4 3776 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,0,1,0,0,0|2,0,1]=4 3777 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,0,1,0,0,0|2,0,1]=4 3778 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,0,1,0,0,0|2,0,1]=4 3779 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,0,1,0,0,0|2,0,1]=4 3780 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,1,0,0,0|2,0,1]=4 3781 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,1,0,0,0|2,0,1]=4 3782 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,1,0,0,0|2,0,1]=4 3783 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,1,0,0,0|2,0,1]=4 3784 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,1,0,0,0|2,0,1]=4 3785 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,1,0,0,0|2,0,1]=4 3786 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,1,0,0,0|2,0,1]=4 3787 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,1,0,0,0|1,0,2]=4 3788 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,1,0,0,0|1,0,2]=4 3789 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,0,1,0,0,0|1,0,2]=4 3790 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,0,1,0,0,0|1,0,2]=4 3791 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,1,0,0,0|0,0,2]=3 3792 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,1,0,0,0|0,0,2]=3 3793 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,1,0,0,0|0,0,2]=3 3794 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,0,1,0,0,0|1,0,2]=4 3795 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,0,1,0,0,0|1,0,2]=4 3796 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,0,1,0,0,0|1,0,2]=4 3797 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,0,1,0,0,0|1,0,2]=4 3798 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,0,1,0,0,0|1,0,2]=4 3799 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,0,1,0,0,0|1,0,2]=4 3800 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,0,1,0,0,0|1,0,2]=4 3801 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,0,1,0,0,0|1,0,2]=4 3802 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,0,1,0,0,0|1,0,2]=4 3803 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,0,1,0,0,0|1,0,2]=4 3804 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,0,1,0,0,0|1,0,2]=4 3805 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,0,1,0,0,0|1,0,2]=4 3806 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,0,1,0,0,0|1,0,2]=4 3807 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,0,1,0,0,0|1,0,2]=4 3808 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,0,1,0,0,0|1,0,2]=4 3809 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,0,1,0,0,0|1,0,2]=4 3810 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,0,1,0,0,0|1,0,2]=4 3811 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,0,1,0,0,0|1,0,2]=4 3812 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,0,1,0,0,0|1,0,2]=4 3813 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,0,1,0,0,0|1,0,2]=4 3814 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,0,1,0,0,0|1,0,2]=4 3815 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,0,1,0,0,0|1,0,2]=4 3816 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,0,1,0,0,0|1,0,2]=4 3817 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,0,1,0,0,0|1,0,2]=4 3818 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,1,0,0,0|0,1,2]=4 3819 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,1,0,0,0|0,1,2]=4 3820 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,0,1,0,0,0|2,0,1]=4 3821 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,0,1,0,0,0|2,0,1]=4 3822 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,0,1,0,0,0|2,0,1]=4 3823 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,0,1,0,0,0|2,0,1]=4 3824 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,0,1,0,0,0|2,0,1]=4 3825 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,0,1,0,0,0|2,0,1]=4 3826 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,0,1,0,0,0|2,0,1]=4 3827 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,0,1,0,0,0|2,0,1]=4 3828 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,0,1,0,0,0|2,0,1]=4 3829 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,1,0,0,0|1,0,2]=4 3830 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,1,0,0,0|1,0,2]=4 3831 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [0,0,1,0,0,0|2,0,1]=4 3832 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,0,1,0,0,0|0,0,2]=3 3833 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,0,1,0,0,0|0,0,2]=3 3834 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,0,1,0,0,0|0,0,2]=3 3835 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,0,1,0,0,0|0,0,2]=3 3836 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,0,0,1,0,0|0,0,2]=3 3837 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,0,0,1,0,0|0,1,2]=4 3838 B11R2.2 C1=C(CCC1)c2cnco2 271570a_100000089523_100020591547 [0,0,0,1,0,0|1,0,2]=4 3839 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,0,0,1,0,0|1,0,2]=4 3840 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,0,0,1,0,0|1,0,2]=4 3841 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,0,0,1,0,0|1,0,2]=4 3842 B11R2.2 C1=CCN(C1)C2CCCC2 269982a_100015195280_100000179811 [0,0,0,1,0,0|2,0,1]=4 3843 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [0,0,0,1,0,0|1,1,0]=3 3844 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,0,0,1,0,0|3,0,0]=4 3845 B11R2.237 C1=CCN(C1)CC2CCC2 269982a_100015195280_100000763275 [0,0,0,1,0,0|2,0,1]=4 3846 B11R2.237 c1c[nH]c(n1)CN2CCC2 269982a_100000754969_100016991755 [0,0,0,1,0,0|3,0,0]=4 3847 B11R2.237 c1c[nH]c(n1)SC2CCC2 62a_100025796157_100000749161 [0,0,0,1,0,0|3,0,0]=4 3848 B11R2.237 c1cc([nH]n1)CN2CCC2 269982a_100000754969_100000728653 [0,0,0,1,0,0|3,0,0]=4 3849 B11R2.237 c1cc(co1)SC2CCC2 62a_100011215275_100000749161 [0,0,0,1,0,0|3,0,0]=4 3850 B11R2.237 c1cc(cs1)CN2CCC2 269982a_100000754969_100011233845 [0,0,0,1,0,0|3,0,0]=4 3851 B11R2.237 c1cc(cs1)OC2CCC2 34a_100000106738_100000749161 [0,0,0,1,0,0|3,0,0]=4 3852 B11R2.237 c1cc(cs1)SC2CCC2 62a_100000738268_100000749161 [0,0,0,1,0,0|3,0,0]=4 3853 B11R2.237 c1cc(n[nH]1)SC2CCC2 62a_100000062575_100000749161 [0,0,0,1,0,0|3,0,0]=4 3854 B11R2.237 c1cc(no1)CN2CCC2 269982a_100000754969_100000234950 [0,0,0,1,0,0|3,0,0]=4 3855 B11R2.237 c1cc(no1)SC2CCC2 62a_100009818083_100000749161 [0,0,0,1,0,0|3,0,0]=4 3856 B11R2.237 c1cc(ns1)SC2CCC2 62a_100009818082_100000749161 [0,0,0,1,0,0|3,0,0]=4 3857 B11R2.237 c1coc(c1)SC2CCC2 62a_100009814098_100000749161 [0,0,0,1,0,0|1,0,0]=2 3858 B11R2.237 c1coc(c1)SC2COC2 62a_100009814098_100009818527 [0,0,0,1,0,0|2,0,0]=3 3859 B11R2.237 c1coc(n1)CN2CCC2 269982a_100000754969_103436540062 [0,0,0,1,0,0|2,0,0]=3 3860 B11R2.237 c1coc(n1)SC2CCC2 62a_100011787736_100000749161 [0,0,0,1,0,0|2,0,0]=3 3861 B11R2.237 c1coc(n1)SC2COC2 62a_100011787736_100009818527 [0,0,0,1,0,0|3,0,0]=4 3862 B11R2.237 c1csc(c1)SC2CCC2 62a_100011215356_100000749161 [0,0,0,1,0,0|1,1,0]=3 3863 B11R2.237 c1csc(c1)SC2COC2 62a_100011215356_100009818527 [0,0,0,1,0,0|2,1,0]=4 3864 B11R2.237 c1csc(n1)CN2CCC2 269982a_100000754969_100015184050 [0,0,0,1,0,0|2,1,0]=4 3865 B11R2.237 c1csc(n1)SC2CCC2 62a_100000211983_100000749161 [0,0,0,1,0,0|2,1,0]=4 3866 B11R2.237 c1nc(c[nH]1)CN2CCC2 269982a_100000754969_100000707719 [0,0,0,1,0,0|3,0,0]=4 3867 B11R2.237 c1nc(c[nH]1)SC2CCC2 62a_100000756875_100000749161 [0,0,0,1,0,0|3,0,0]=4 3868 B11R2.237 c1nc(cs1)CN2CCC2 269982a_100000754969_100000205941 [0,0,0,1,0,0|3,0,0]=4 3869 B11R2.237 c1nc(cs1)SC2CCC2 62a_100000751502_100000749161 [0,0,0,1,0,0|3,0,0]=4 3870 B11R2.237 c1ncc(o1)SC2CCC2 62a_100020591547_100000749161 [0,0,0,1,0,0|2,0,0]=3 3871 B11R2.237 c1ncc(o1)SC2COC2 62a_100020591547_100009818527 [0,0,0,1,0,0|3,0,0]=4 3872 B11R2.237 c1ncc(s1)CN2CCC2 269982a_100000754969_100015185245 [0,0,0,1,0,0|2,1,0]=4 3873 B11R2.237 c1ncc(s1)SC2CCC2 62a_100011934649_100000749161 [0,0,0,1,0,0|2,1,0]=4 3874 B11R2.385 C(#CC1CC1)c2ccco2 271570a_200009880635_100009814098 [0,0,0,1,0,0|0,0,2]=3 3875 B11R2.385 C(#CC1CC1)c2cccs2 271570a_200009880635_100011215356 [0,0,0,1,0,0|0,1,2]=4 3876 B11R2.385 C(#CC1CC1)c2cnco2 271570a_200009880635_100020591547 [0,0,0,1,0,0|1,0,2]=4 3877 B11R2.385 C(#CC1CC1)c2ncco2 271570a_200009880635_100011787736 [0,0,0,1,0,0|1,0,2]=4 3878 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [0,0,0,1,0,0|0,0,2]=3 3879 B11R2.385 C(=CC1CC1)c2cccs2 271570a_100102526188_100011215356 [0,0,0,1,0,0|0,1,2]=4 3880 B11R2.385 C(=CC1CC1)c2cnco2 271570a_100102526188_100020591547 [0,0,0,1,0,0|1,0,2]=4 3881 B11R2.385 C(=CC1CC1)c2ncco2 271570a_100102526188_100011787736 [0,0,0,1,0,0|1,0,2]=4 3882 B11R2.385 C1=CCN(C1)CCC2CC2 269982a_100015195280_100000694398 [0,0,0,1,0,0|2,0,1]=4 3883 B11R2.385 c1c[nH]c(n1)CNC2CC2 34a_100000212008_100016991755 [0,0,0,1,0,0|3,0,0]=4 3884 B11R2.385 c1c[nH]c(n1)CSC2CC2 62a_100016991755_100000211595 [0,0,0,1,0,0|3,0,0]=4 3885 B11R2.385 c1c[nH]c(n1)SCC2CC2 62a_100000756562_100025796157 [0,0,0,1,0,0|3,0,0]=4 3886 B11R2.385 c1c[nH]c(n1)SCC2CC2 62a_100025796157_100000742324 [0,0,0,1,0,0|3,0,0]=4 3887 B11R2.385 c1cc([nH]n1)CNC2CC2 34a_100000212008_100000728653 [0,0,0,1,0,0|3,0,0]=4 3888 B11R2.385 c1cc([nH]n1)CSC2CC2 62a_100000728653_100000211595 [0,0,0,1,0,0|3,0,0]=4 3889 B11R2.385 c1cc(co1)CNC2CC2 34a_100015206860_100000211595 [0,0,0,1,0,0|3,0,0]=4 3890 B11R2.385 c1cc(co1)COC2CC2 34a_100011215357_100000211595 [0,0,0,1,0,0|3,0,0]=4 3891 B11R2.385 c1cc(co1)SCC2CC2 62a_100000756562_100011215275 [0,0,0,1,0,0|3,0,0]=4 3892 B11R2.385 c1cc(co1)SCC2CC2 62a_100011215275_100000742324 [0,0,0,1,0,0|3,0,0]=4 3893 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000186416_100000211595 [0,0,0,1,0,0|3,0,0]=4 3894 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000212008_100011261437 [0,0,0,1,0,0|3,0,0]=4 3895 B11R2.385 c1cc(cs1)COC2CC2 34a_100011215551_100000211595 [0,0,0,1,0,0|3,0,0]=4 3896 B11R2.385 c1cc(cs1)CSC2CC2 62a_100011261437_100000211595 [0,0,0,1,0,0|3,0,0]=4 3897 B11R2.385 c1cc(cs1)OCC2CC2 34a_100000106738_100000742324 [0,0,0,1,0,0|3,0,0]=4 3898 B11R2.385 c1cc(cs1)OCC2CC2 7a_100000106738_100000742324 [0,0,0,1,0,0|3,0,0]=4 3899 B11R2.385 c1cc(cs1)SCC2CC2 62a_100000738268_100000742324 [0,0,0,1,0,0|3,0,0]=4 3900 B11R2.385 c1cc(cs1)SCC2CC2 62a_100000756562_100000738268 [0,0,0,1,0,0|3,0,0]=4 3901 B11R2.385 c1cc(n[nH]1)SCC2CC2 62a_100000062575_100000742324 [0,0,0,1,0,0|3,0,0]=4 3902 B11R2.385 c1cc(n[nH]1)SCC2CC2 62a_100000756562_100000062575 [0,0,0,1,0,0|3,0,0]=4 3903 B11R2.385 c1cc(no1)CNC2CC2 34a_100000212008_100000234950 [0,0,0,1,0,0|3,0,0]=4 3904 B11R2.385 c1cc(no1)CSC2CC2 62a_100000234950_100000211595 [0,0,0,1,0,0|3,0,0]=4 3905 B11R2.385 c1cc(no1)SCC2CC2 62a_100000756562_100009818083 [0,0,0,1,0,0|3,0,0]=4 3906 B11R2.385 c1cc(no1)SCC2CC2 62a_100009818083_100000742324 [0,0,0,1,0,0|3,0,0]=4 3907 B11R2.385 c1cc(ns1)SCC2CC2 62a_100000756562_100009818082 [0,0,0,1,0,0|3,0,0]=4 3908 B11R2.385 c1cc(ns1)SCC2CC2 62a_100009818082_100000742324 [0,0,0,1,0,0|3,0,0]=4 3909 B11R2.385 c1cc(on1)COC2CC2 34a_100000740478_100000211595 [0,0,0,1,0,0|2,0,0]=3 3910 B11R2.385 c1cnn(c1)COC2CC2 34a_100000731028_100000211595 [0,0,0,1,0,0|3,0,0]=4 3911 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,0,0,1,0,0|1,0,0]=2 3912 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,0,0,1,0,0|1,0,0]=2 3913 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,0,0,1,0,0|1,0,0]=2 3914 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,0,0,1,0,0|1,0,0]=2 3915 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,0,0,1,0,0|2,0,0]=3 3916 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,0,0,1,0,0|2,0,0]=3 3917 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [0,0,0,1,0,0|2,0,0]=3 3918 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [0,0,0,1,0,0|2,0,0]=3 3919 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,0,0,1,0,0|2,0,0]=3 3920 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,0,0,1,0,0|2,0,0]=3 3921 B11R2.385 c1coc(n1)CNC2CC2 34a_100000212008_103436540062 [0,0,0,1,0,0|2,0,0]=3 3922 B11R2.385 c1coc(n1)COC2CC2 34a_100000062594_100000211595 [0,0,0,1,0,0|2,0,0]=3 3923 B11R2.385 c1coc(n1)CSC2CC2 62a_103436540062_100000211595 [0,0,0,1,0,0|2,0,0]=3 3924 B11R2.385 c1coc(n1)SCC2CC2 62a_100000756562_100011787736 [0,0,0,1,0,0|2,0,0]=3 3925 B11R2.385 c1coc(n1)SCC2CC2 62a_100011787736_100000742324 [0,0,0,1,0,0|2,0,0]=3 3926 B11R2.385 c1coc(n1)SCC2CO2 62a_100011787736_102125554688 [0,0,0,1,0,0|3,0,0]=4 3927 B11R2.385 c1coc(n1)SCC2CO2 62a_102125554688_100011787736 [0,0,0,1,0,0|3,0,0]=4 3928 B11R2.385 c1coc(n1)SCC2CS2 62a_100000031435_100011787736 [0,0,0,1,0,0|3,0,0]=4 3929 B11R2.385 c1coc(n1)SCC2CS2 62a_100011787736_100000031435 [0,0,0,1,0,0|3,0,0]=4 3930 B11R2.385 c1coc(n1)SC[C@@H]2CO2 62a_100000745022_100011787736 [0,0,0,1,0,0|3,0,0]=4 3931 B11R2.385 c1coc(n1)SC[C@@H]2CO2 62a_100011787736_100000745022 [0,0,0,1,0,0|3,0,0]=4 3932 B11R2.385 c1csc(c1)COC2CC2 34a_100000211240_100000211595 [0,0,0,1,0,0|1,1,0]=3 3933 B11R2.385 c1csc(c1)SCC2CC2 62a_100000756562_100011215356 [0,0,0,1,0,0|1,1,0]=3 3934 B11R2.385 c1csc(c1)SCC2CC2 62a_100011215356_100000742324 [0,0,0,1,0,0|1,1,0]=3 3935 B11R2.385 c1csc(c1)SCC2CO2 62a_100011215356_102125554688 [0,0,0,1,0,0|2,1,0]=4 3936 B11R2.385 c1csc(c1)SCC2CO2 62a_102125554688_100011215356 [0,0,0,1,0,0|2,1,0]=4 3937 B11R2.385 c1csc(c1)SCC2CS2 62a_100000031435_100011215356 [0,0,0,1,0,0|2,1,0]=4 3938 B11R2.385 c1csc(c1)SCC2CS2 62a_100011215356_100000031435 [0,0,0,1,0,0|2,1,0]=4 3939 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100000745022_100011215356 [0,0,0,1,0,0|2,1,0]=4 3940 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100011215356_100000745022 [0,0,0,1,0,0|2,1,0]=4 3941 B11R2.385 c1csc(n1)CNC2CC2 34a_100000212008_100015184050 [0,0,0,1,0,0|2,1,0]=4 3942 B11R2.385 c1csc(n1)CSC2CC2 62a_100015184050_100000211595 [0,0,0,1,0,0|2,1,0]=4 3943 B11R2.385 c1csc(n1)SCC2CC2 62a_100000211983_100000742324 [0,0,0,1,0,0|2,1,0]=4 3944 B11R2.385 c1csc(n1)SCC2CC2 62a_100000756562_100000211983 [0,0,0,1,0,0|2,1,0]=4 3945 B11R2.385 c1nc(c[nH]1)CNC2CC2 34a_100000212008_100000707719 [0,0,0,1,0,0|3,0,0]=4 3946 B11R2.385 c1nc(c[nH]1)CSC2CC2 62a_100000707719_100000211595 [0,0,0,1,0,0|3,0,0]=4 3947 B11R2.385 c1nc(c[nH]1)SCC2CC2 62a_100000756562_100000756875 [0,0,0,1,0,0|3,0,0]=4 3948 B11R2.385 c1nc(c[nH]1)SCC2CC2 62a_100000756875_100000742324 [0,0,0,1,0,0|3,0,0]=4 3949 B11R2.385 c1nc(cs1)CNC2CC2 34a_100000212008_100000205941 [0,0,0,1,0,0|3,0,0]=4 3950 B11R2.385 c1nc(cs1)CSC2CC2 62a_100000205941_100000211595 [0,0,0,1,0,0|3,0,0]=4 3951 B11R2.385 c1nc(cs1)SCC2CC2 62a_100000751502_100000742324 [0,0,0,1,0,0|3,0,0]=4 3952 B11R2.385 c1nc(cs1)SCC2CC2 62a_100000756562_100000751502 [0,0,0,1,0,0|3,0,0]=4 3953 B11R2.385 c1ncc(o1)SCC2CC2 62a_100000756562_100020591547 [0,0,0,1,0,0|2,0,0]=3 3954 B11R2.385 c1ncc(o1)SCC2CC2 62a_100020591547_100000742324 [0,0,0,1,0,0|2,0,0]=3 3955 B11R2.385 c1ncc(o1)SCC2CO2 62a_100020591547_102125554688 [0,0,0,1,0,0|3,0,0]=4 3956 B11R2.385 c1ncc(o1)SCC2CO2 62a_102125554688_100020591547 [0,0,0,1,0,0|3,0,0]=4 3957 B11R2.385 c1ncc(o1)SCC2CS2 62a_100000031435_100020591547 [0,0,0,1,0,0|3,0,0]=4 3958 B11R2.385 c1ncc(o1)SCC2CS2 62a_100020591547_100000031435 [0,0,0,1,0,0|3,0,0]=4 3959 B11R2.385 c1ncc(o1)SC[C@@H]2CO2 62a_100000745022_100020591547 [0,0,0,1,0,0|3,0,0]=4 3960 B11R2.385 c1ncc(o1)SC[C@@H]2CO2 62a_100020591547_100000745022 [0,0,0,1,0,0|3,0,0]=4 3961 B11R2.385 c1ncc(s1)CNC2CC2 34a_100000212008_100015185245 [0,0,0,1,0,0|2,1,0]=4 3962 B11R2.385 c1ncc(s1)CSC2CC2 62a_100015185245_100000211595 [0,0,0,1,0,0|2,1,0]=4 3963 B11R2.385 c1ncc(s1)SCC2CC2 62a_100000756562_100011934649 [0,0,0,1,0,0|2,1,0]=4 3964 B11R2.385 c1ncc(s1)SCC2CC2 62a_100011934649_100000742324 [0,0,0,1,0,0|2,1,0]=4 3965 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,0,0,0,0,1|3,0,0]=4 3966 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,0,0,0,0,1|3,0,0]=4 3967 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,0,0,0,0,1|3,0,0]=4 3968 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,0,0,0,0,1|3,0,0]=4 3969 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,0,0,0,0,1|3,0,0]=4 3970 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,0,0,0,0,1|3,0,0]=4 3971 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,0,0,0,0,1|1,0,2]=4 3972 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,0,0,0,0,1|1,0,2]=4 3973 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,0,0,0,0,1|1,0,2]=4 3974 B11R1.28 CCCC=Cc1cccnn1 271570a_100016258520_100016991348 [0,0,0,0,0,1|1,0,2]=4 3975 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,0,0,0,0,1|1,0,2]=4 3976 B11R1.28 CCCC=Cc1ccncn1 271570a_100016258520_100000703185 [0,0,0,0,0,1|1,0,2]=4 3977 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [0,0,0,0,0,1|1,0,2]=4 3978 B11R1.28 CCCC=Cc1ncccn1 271570a_100016258520_100000211032 [0,0,0,0,0,1|1,0,2]=4 3979 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,0,0,0,0,1|2,0,1]=4 3980 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,0,0,0,0,1|2,0,1]=4 3981 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,0,0,0,0,1|2,0,1]=4 3982 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,0,0,0,0,1|2,0,0]=3 3983 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,0,0,0,0,1|2,0,0]=3 3984 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,0,0,0,0,1|2,0,0]=3 3985 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,0,0,0,0,1|2,0,0]=3 3986 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,0,0,0,0,1|2,0,0]=3 3987 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,0,0,0,0,1|2,0,0]=3 3988 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,0,0,0,0,1|2,0,0]=3 3989 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,0,0,0,0,1|2,0,0]=3 3990 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,0,0,0,0,1|2,0,0]=3 3991 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,0,0,0,0,1|2,0,0]=3 3992 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,0,0,0,0,1|3,0,0]=4 3993 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,0,0,0,0,1|3,0,0]=4 3994 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,0,0,0,0,1|2,0,0]=3 3995 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,0,0,0,0,1|2,0,0]=3 3996 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,0,0,0,0,1|2,0,0]=3 3997 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,0,0,0,0,1|2,0,0]=3 3998 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,0,0,0,0,1|2,0,0]=3 3999 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,0,0,0,0,1|2,0,0]=3 4000 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,0,0,0,0,1|2,0,0]=3 4001 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,0,0,0,0,1|2,0,0]=3 4002 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,0,0,0,0,1|2,0,0]=3 4003 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,0,0,0,0,1|2,0,0]=3 4004 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,0,0,0,0,1|2,0,0]=3 4005 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,0,0,0,0,1|2,0,0]=3 4006 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,0,0,0,0,1|3,0,0]=4 4007 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,0,0,0,0,1|3,0,0]=4 4008 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,0,0,0,0,1|2,0,0]=3 4009 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,0,0,0,0,1|2,0,0]=3 4010 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,0,0,0,0,1|3,0,0]=4 4011 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,0,0,0,0,1|3,0,0]=4 4012 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,0,0,0,0,1|2,0,0]=3 4013 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,0,0,0,0,1|2,0,0]=3 4014 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,0,0,0,0,1|2,0,0]=3 4015 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,0,0,0,0,1|2,0,0]=3 4016 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,0,0,0,0,1|2,0,0]=3 4017 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,0,0,0,0,1|2,0,0]=3 4018 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,0,0,0,0,1|2,0,0]=3 4019 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,0,0,0,0,1|2,0,0]=3 4020 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,0,0,0,0,1|2,0,0]=3 4021 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,0,0,0,0,1|2,0,0]=3 4022 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,0,0,0,0,1|2,0,0]=3 4023 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,0,0,0,0,1|2,0,0]=3 4024 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,0,0,0,0,1|3,0,0]=4 4025 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,0,0,0,0,1|2,0,0]=3 4026 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,0,0,0,0,1|3,0,0]=4 4027 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,0,0,0,0,1|3,0,0]=4 4028 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,0,0,0,0,1|2,0,0]=3 4029 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,0,0,0,0,1|1,0,2]=4 4030 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,0,0,0,0,1|2,0,0]=3 4031 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,0,0,0,0,1|2,0,0]=3 4032 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,0,0,0,0,1|2,0,0]=3 4033 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,0,0,0,0,1|2,0,0]=3 4034 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,0,0,0,0,1|2,0,0]=3 4035 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,0,0,0,0,1|2,0,0]=3 4036 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,0,0,0,0,1|2,0,0]=3 4037 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,0,0,0,0,1|3,0,0]=4 4038 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,0,0,0,0,1|2,0,0]=3 4039 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,0,0,0,0,1|2,0,0]=3 4040 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,0,0,0,0,1|2,0,0]=3 4041 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,0,0,0,0,1|2,0,0]=3 4042 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,0,0,0,0,1|2,0,0]=3 4043 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,0,0,0,0,1|2,0,0]=3 4044 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,0,0,0,0,1|2,0,0]=3 4045 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,0,0,0,0,1|2,0,0]=3 4046 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,0,0,0,0,1|2,0,0]=3 4047 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,0,0,0,0,1|2,0,0]=3 4048 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,0,0,0,0,1|2,0,0]=3 4049 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,0,0,0,0,1|2,0,0]=3 4050 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,0,0,0,0,1|2,0,0]=3 4051 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,0,0,0,0,1|3,0,0]=4 4052 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,0,0,0,0,1|3,0,0]=4 4053 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,0,0,0,0,1|2,0,0]=3 4054 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,0,0,0,0,1|2,0,0]=3 4055 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,0,0,0,0,1|2,0,0]=3 4056 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,0,0,0,0,1|2,0,0]=3 4057 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,0,0,0,0,1|2,0,0]=3 4058 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,0,0,0,0,1|2,0,0]=3 4059 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,0,0,0,0,1|2,0,0]=3 4060 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,0,0,0,0,1|2,0,0]=3 4061 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,0,0,0,0,1|2,0,0]=3 4062 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,0,0,0,0,1|3,0,0]=4 4063 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,0,0,0,0,1|2,0,0]=3 4064 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,0,0,0,0,1|2,0,0]=3 4065 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,0,0,0,0,1|2,0,0]=3 4066 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,0,0,0,0,1|2,0,0]=3 4067 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,0,0,0,0,1|2,0,0]=3 4068 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,0,0,0,0,1|2,0,0]=3 4069 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,0,0,0,0,1|2,0,0]=3 4070 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,0,0,0,0,1|3,0,0]=4 4071 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,0,0,0,0,1|3,0,0]=4 4072 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,0,0,0,0,1|3,0,0]=4 4073 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,0,0,0,0,1|3,0,0]=4 4074 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,0,0,0,0,1|3,0,0]=4 4075 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,0,0,0,0,1|3,0,0]=4 4076 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,0,0,0,0,1|3,0,0]=4 4077 B11R1.28 CCOCSc1cccnn1 62a_100000739092_100016991348 [0,0,0,0,0,1|3,0,0]=4 4078 B11R1.28 CCOCSc1cccnn1 62a_100016991348_100000739092 [0,0,0,0,0,1|3,0,0]=4 4079 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,0,0,0,0,1|3,0,0]=4 4080 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,0,0,0,0,1|3,0,0]=4 4081 B11R1.28 CCOCSc1ccncn1 62a_100000703185_100000739092 [0,0,0,0,0,1|3,0,0]=4 4082 B11R1.28 CCOCSc1ccncn1 62a_100000739092_100000703185 [0,0,0,0,0,1|3,0,0]=4 4083 B11R1.28 CCOCSc1cnccn1 62a_100000211759_100000739092 [0,0,0,0,0,1|3,0,0]=4 4084 B11R1.28 CCOCSc1cnccn1 62a_100000739092_100000211759 [0,0,0,0,0,1|3,0,0]=4 4085 B11R1.28 CCOCSc1ncccn1 62a_100000211032_100000739092 [0,0,0,0,0,1|3,0,0]=4 4086 B11R1.28 CCOCSc1ncccn1 62a_100000739092_100000211032 [0,0,0,0,0,1|3,0,0]=4 4087 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,0,0,0,0,1|2,0,0]=3 4088 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,0,0,0,0,1|2,0,0]=3 4089 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,0,0,0,0,1|2,0,0]=3 4090 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,0,0,0,0,1|2,0,0]=3 4091 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,0,0,0,0,1|2,0,0]=3 4092 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,0,0,0,0,1|2,0,0]=3 4093 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,0,0,0,0,1|2,0,0]=3 4094 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,0,0,0,0,1|2,0,0]=3 4095 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,0,0,0,0,1|3,0,0]=4 4096 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,0,0,0,0,1|3,0,0]=4 4097 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,0,0,0,0,1|2,0,0]=3 4098 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,0,0,0,0,1|2,0,0]=3 4099 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,0,0,0,0,1|2,0,0]=3 4100 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,0,0,0,0,1|2,0,0]=3 4101 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,0,0,0,0,1|2,0,0]=3 4102 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,0,0,0,0,1|2,0,0]=3 4103 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,0,0,0,0,1|2,0,0]=3 4104 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,0,0,0,0,1|2,0,0]=3 4105 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,0,0,0,0,1|3,0,0]=4 4106 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,0,0,0,0,1|3,0,0]=4 4107 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,0,0,0,0,1|3,0,0]=4 4108 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,0,0,0,0,1|3,0,0]=4 4109 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,0,0,0,0,1|3,0,0]=4 4110 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,0,0,0,0,1|3,0,0]=4 4111 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,0,0,0,0,1|3,0,0]=4 4112 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,0,0,0,0,1|3,0,0]=4 4113 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,0,0,0,0,1|3,0,0]=4 4114 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,0,0,0,0,1|3,0,0]=4 4115 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,0,0,0,0,1|3,0,0]=4 4116 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,0,0,0,0,1|3,0,0]=4 4117 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,0,0,0,0,1|3,0,0]=4 4118 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,0,0,0,0,1|3,0,0]=4 4119 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,0,0,0,0,1|3,0,0]=4 4120 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,0,0,0,0,1|3,0,0]=4 4121 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,0,0,0,0,1|2,0,0]=3 4122 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,0,0,0,0,1|2,0,0]=3 4123 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,0,0,0,0,1|2,0,0]=3 4124 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,0,0,0,0,1|2,0,0]=3 4125 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,0,0,0,0,1|2,0,0]=3 4126 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,0,0,0,0,1|2,0,0]=3 4127 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,0,0,0,0,1|2,0,0]=3 4128 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,0,0,0,0,1|3,0,0]=4 4129 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,0,0,0,0,1|3,0,0]=4 4130 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [0,0,0,0,0,1|3,0,0]=4 4131 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,0,0,0,0,1|3,0,0]=4 4132 B11R1.28 COCCNc1ccncn1 27a_100000209980_100000703185 [0,0,0,0,0,1|3,0,0]=4 4133 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,0,0,0,0,1|3,0,0]=4 4134 B11R1.28 COCCNc1ncccn1 27a_100000209980_100000211032 [0,0,0,0,0,1|3,0,0]=4 4135 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,0,0,0,0,1|3,0,0]=4 4136 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,0,0,0,0,1|3,0,0]=4 4137 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,0,0,0,0,1|3,0,0]=4 4138 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,0,0,0,0,1|3,0,0]=4 4139 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,0,0,0,0,1|3,0,0]=4 4140 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,0,0,0,0,1|3,0,0]=4 4141 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,0,0,0,0,1|3,0,0]=4 4142 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,0,0,0,0,1|3,0,0]=4 4143 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,0,0,0,0,1|3,0,0]=4 4144 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,0,0,0,0,1|3,0,0]=4 4145 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,0,0,0,0,1|3,0,0]=4 4146 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,0,0,0,0,1|3,0,0]=4 4147 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,0,0,0,0,1|3,0,0]=4 4148 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,0,0,0,0,1|3,0,0]=4 4149 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,0,0,0,0,1|3,0,0]=4 4150 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,0,0,0,0,1|3,0,0]=4 4151 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,0,0,0,0,1|3,0,0]=4 4152 B11R1.28 COCCSc1cccnn1 62a_100000233755_100016991348 [0,0,0,0,0,1|3,0,0]=4 4153 B11R1.28 COCCSc1cccnn1 62a_100016991348_100000233755 [0,0,0,0,0,1|3,0,0]=4 4154 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,0,0,0,0,1|3,0,0]=4 4155 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,0,0,0,0,1|3,0,0]=4 4156 B11R1.28 COCCSc1ccncn1 62a_100000233755_100000703185 [0,0,0,0,0,1|3,0,0]=4 4157 B11R1.28 COCCSc1ccncn1 62a_100000703185_100000233755 [0,0,0,0,0,1|3,0,0]=4 4158 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,0,0,0,0,1|3,0,0]=4 4159 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,0,0,0,0,1|3,0,0]=4 4160 B11R1.28 COCCSc1ncccn1 62a_100000211032_100000233755 [0,0,0,0,0,1|3,0,0]=4 4161 B11R1.28 COCCSc1ncccn1 62a_100000233755_100000211032 [0,0,0,0,0,1|3,0,0]=4 4162 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,0,0,0,0,1|3,0,0]=4 4163 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,0,0,0,0,1|3,0,0]=4 4164 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,0,0,0,0,1|3,0,0]=4 4165 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,0,0,0,0,1|3,0,0]=4 4166 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,0,0,0,0,1|3,0,0]=4 4167 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,0,0,0,0,1|3,0,0]=4 4168 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,0,0,0,0,1|3,0,0]=4 4169 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,0,0,0,0,1|3,0,0]=4 4170 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,0,0,0,0,1|3,0,0]=4 4171 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,0,0,0,0,1|3,0,0]=4 4172 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,0,0,0,0,1|3,0,0]=4 4173 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,0,0,0,0,1|3,0,0]=4 4174 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,0,0,0,0,1|3,0,0]=4 4175 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,0,0,0,0,1|3,0,0]=4 4176 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,0,0,0,0,1|3,0,0]=4 4177 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,0,0,0,0,1|3,0,0]=4 4178 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [0,0,0,0,0,1|3,0,0]=4 4179 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [0,0,0,0,0,1|3,0,0]=4 4180 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,0,0,0,0,1|2,0,0]=3 4181 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,0,0,0,0,1|2,0,0]=3 4182 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,0,0,0,0,1|3,0,0]=4 4183 B11R1.28 CSCCNc1cccnn1 27a_100020590264_100016991348 [0,0,0,0,0,1|3,0,0]=4 4184 B11R1.28 CSCCNc1ccncn1 27a_100020590264_100000703185 [0,0,0,0,0,1|3,0,0]=4 4185 B11R1.28 CSCCNc1cnccn1 27a_100020590264_100000211759 [0,0,0,0,0,1|3,0,0]=4 4186 B11R1.28 CSCCNc1ncccn1 27a_100020590264_100000211032 [0,0,0,0,0,1|3,0,0]=4 4187 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,0,0,0,0,1|3,0,0]=4 4188 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,0,0,0,0,1|3,0,0]=4 4189 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,0,0,0,0,1|3,0,0]=4 4190 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,0,0,0,0,1|3,0,0]=4 4191 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,0,0,0,0,1|3,0,0]=4 4192 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,0,0,0,0,1|3,0,0]=4 4193 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,0,0,0,0,1|3,0,0]=4 4194 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,0,0,0,0,1|3,0,0]=4 4195 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,0,0,0,0,1|3,0,0]=4 4196 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,0,0,0,0,1|3,0,0]=4 4197 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,0,0,0,0,1|3,0,0]=4 4198 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,0,0,0,0,1|3,0,0]=4 4199 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,0,0,0,0,1|3,0,0]=4 4200 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,0,0,0,0,1|3,0,0]=4 4201 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,0,0,0,0,1|3,0,0]=4 4202 B11R1.28 CSCCSc1cccnn1 62a_100000212216_100016991348 [0,0,0,0,0,1|3,0,0]=4 4203 B11R1.28 CSCCSc1cccnn1 62a_100016991348_100000751147 [0,0,0,0,0,1|3,0,0]=4 4204 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,0,0,0,0,1|3,0,0]=4 4205 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,0,0,0,0,1|3,0,0]=4 4206 B11R1.28 CSCCSc1ccncn1 62a_100000212216_100000703185 [0,0,0,0,0,1|3,0,0]=4 4207 B11R1.28 CSCCSc1ccncn1 62a_100000703185_100000751147 [0,0,0,0,0,1|3,0,0]=4 4208 B11R1.28 CSCCSc1cnccn1 62a_100000211759_100000751147 [0,0,0,0,0,1|3,0,0]=4 4209 B11R1.28 CSCCSc1cnccn1 62a_100000212216_100000211759 [0,0,0,0,0,1|3,0,0]=4 4210 B11R1.28 CSCCSc1ncccn1 62a_100000211032_100000751147 [0,0,0,0,0,1|3,0,0]=4 4211 B11R1.28 CSCCSc1ncccn1 62a_100000212216_100000211032 [0,0,0,0,0,1|3,0,0]=4 4212 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,0,0,0,0,1|3,0,0]=4 4213 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,0,0,0,0,1|3,0,0]=4 4214 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [0,0,0,0,0,1|3,0,0]=4 4215 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,0,0,0,0,1|3,0,0]=4 4216 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,0,0,0,0,1|3,0,0]=4 4217 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,0,0,0,0,1|3,0,0]=4 4218 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,0,0,0,0,1|3,0,0]=4 4219 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,0,0,0,0,1|3,0,0]=4 4220 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,0,0,0,0,1|3,0,0]=4 4221 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,0,0,0,0,1|3,0,0]=4 4222 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,0,0,0,0,1|3,0,0]=4 4223 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,0,0,0,0,1|3,0,0]=4 4224 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,0,0,0,0,1|3,0,0]=4 4225 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,0,0,0,0,1|3,0,0]=4 4226 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [0,0,0,0,0,1|3,0,0]=4 4227 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [0,0,0,0,0,1|3,0,0]=4 4228 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,0,0,0,0,1|3,0,0]=4 4229 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,0,0,0,0,1|3,0,0]=4 4230 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,0,0,0,0,1|3,0,0]=4 4231 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,0,0,0,0,1|3,0,0]=4 4232 B11R1.28 CSCSCc1ncccn1 62a_100000703007_100011218213 [0,0,0,0,0,1|3,0,0]=4 4233 B11R1.28 CSCSCc1ncccn1 62a_100011218213_100000703007 [0,0,0,0,0,1|3,0,0]=4 4234 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,0,0,0,0,1|3,0,0]=4 4235 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,0,0,0,0,1|3,0,0]=4 4236 B11R1.28 FCCCNc1ccncn1 27a_100015189416_100000703185 [0,0,0,0,0,1|3,0,0]=4 4237 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,0,0,0,0,1|3,0,0]=4 4238 B11R1.28 FCCCNc1ncccn1 27a_100015189416_100000211032 [0,0,0,0,0,1|3,0,0]=4 4239 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,0,0,0,0,1|3,0,0]=4 4240 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,0,0,0,0,1|3,0,0]=4 4241 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,0,0,0,0,1|3,0,0]=4 4242 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,0,0,0,0,1|3,0,0]=4 4243 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,0,0,0,0,1|3,0,0]=4 4244 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,0,0,0,0,1|3,0,0]=4 4245 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,0,0,0,0,1|3,0,0]=4 4246 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,0,0,0,0,1|3,0,0]=4 4247 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,0,0,0,0,1|3,0,0]=4 4248 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,0,0,0,0,1|3,0,0]=4 4249 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,0,0,0,0,1|3,0,0]=4 4250 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,0,0,0,0,1|3,0,0]=4 4251 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,0,0,0,0,1|3,0,0]=4 4252 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,0,0,0,0,1|3,0,0]=4 4253 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,0,0,0,0,1|3,0,0]=4 4254 B11R1.28 FCCCSc1ccncn1 62a_100000703185_100011934791 [0,0,0,0,0,1|3,0,0]=4 4255 B11R1.28 FCCCSc1ccncn1 62a_100011934791_100000703185 [0,0,0,0,0,1|3,0,0]=4 4256 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,0,0,0,0,1|3,0,0]=4 4257 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,0,0,0,0,1|3,0,0]=4 4258 B11R1.28 FCCCSc1ncccn1 62a_100000211032_100011934791 [0,0,0,0,0,1|3,0,0]=4 4259 B11R1.28 FCCCSc1ncccn1 62a_100011934791_100000211032 [0,0,0,0,0,1|3,0,0]=4 4260 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,0,0,0,0,1|3,0,0]=4 4261 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,0,0,0,0,1|3,0,0]=4 4262 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,0,0,0,0,1|3,0,0]=4 4263 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,0,0,0,0,1|3,0,0]=4 4264 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,0,0,0,0,1|3,0,0]=4 4265 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,0,0,0,0,1|3,0,0]=4 4266 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,0,0,0,0,1|3,0,0]=4 4267 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,0,0,0,0,1|3,0,0]=4 4268 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,0,0,0,0,1|3,0,0]=4 4269 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,0,0,0,0,1|3,0,0]=4 4270 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,0,0,0,0,1|3,0,0]=4 4271 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,0,0,0,0,1|3,0,0]=4 4272 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,0,0,0,0,1|3,0,0]=4 4273 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,0,0,0,0,1|3,0,0]=4 4274 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,0,0,0,0,1|3,0,0]=4 4275 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,0,0,0,0,1|3,0,0]=4 4276 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,0,0,0,0,1|3,0,0]=4 4277 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,0,0,0,0,1|3,0,0]=4 4278 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,0,0,0,0,1|3,0,0]=4 4279 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,0,0,0,0,1|3,0,0]=4 4280 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,0,0,0,0,1|3,0,0]=4 4281 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,0,0,0,0,1|3,0,0]=4 4282 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,0,0,0,0,1|3,0,0]=4 4283 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,0,0,0,0,1|3,0,0]=4 4284 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,0,0,0,0,1|3,0,0]=4 4285 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,0,0,0,0,1|3,0,0]=4 4286 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,0,0,0,0,1|3,0,0]=4 4287 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,0,0,0,0,1|3,0,0]=4 4288 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,0,0,0,0,1|3,0,0]=4 4289 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,0,0,0,0,1|3,0,0]=4 4290 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,0,0,0,0,1|3,0,0]=4 4291 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,0,0,0,0,1|3,0,0]=4 4292 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,0,0,0,0,1|3,0,0]=4 4293 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,0,0,0,0,1|3,0,0]=4 4294 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,0,0,0,0,1|3,0,0]=4 4295 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,0,0,0,0,1|3,0,0]=4 4296 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,0,0,0,0,1|3,0,0]=4 4297 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,0,0,0,0,1|3,0,0]=4 4298 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,0,0,0,0,1|3,0,0]=4 4299 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,0,0,0,0,1|3,0,0]=4 4300 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,0,0,0,0,1|3,0,0]=4 4301 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,0,0,0,0,1|3,0,0]=4 4302 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,0,0,0,0,1|3,0,0]=4 4303 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,0,0,0,0,1|3,0,0]=4 4304 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,0,0,0,0,1|3,0,0]=4 4305 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,0,0,0,0,1|3,0,0]=4 4306 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,0,0,0,0,1|3,0,0]=4 4307 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,0,0,0,0,1|3,0,0]=4 4308 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,0,0,0,0,1|3,0,0]=4 4309 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,0,0,0,0,1|3,0,0]=4 4310 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,0,0,0,0,1|3,0,0]=4 4311 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,0,0,0,0,1|3,0,0]=4 4312 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,0,0,0,0,1|3,0,0]=4 4313 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,0,0,0,0,1|3,0,0]=4 4314 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,0,0,0,0,1|3,0,0]=4 4315 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,0,0,0,0,1|3,0,0]=4 4316 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,0,0,0,0,1|3,0,0]=4 4317 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,0,0,0,0,1|3,0,0]=4 4318 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,0,0,0,0,1|3,0,0]=4 4319 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,0,0,0,0,1|3,0,0]=4 4320 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,0,0,0,0,1|3,0,0]=4 4321 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,0,0,0,0,1|3,0,0]=4 4322 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,0,0,0,0,1|3,0,0]=4 4323 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,0,0,0,0,1|3,0,0]=4 4324 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,0,0,0,0,1|3,0,0]=4 4325 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,0,0,0,0,1|3,0,0]=4 4326 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,0,0,0,0,1|3,0,0]=4 4327 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,0,0,0,0,1|3,0,0]=4 4328 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,0,0,0,0,1|3,0,0]=4 4329 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,0,0,0,0,1|3,0,0]=4 4330 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,0,0,0,0,1|3,0,0]=4 4331 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,0,0,0,0,1|3,0,0]=4 4332 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,0,0,0,0,1|3,0,0]=4 4333 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,0,0,0,0,1|3,0,0]=4 4334 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,0,0,0,0,1|3,0,0]=4 4335 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,0,0,0,0,1|3,0,0]=4 4336 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,0,0,0,0,1|3,0,0]=4 4337 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,0,0,0,0,1|3,0,0]=4 4338 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,0,0,0,0,1|3,0,0]=4 4339 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,0,0,0,0,1|3,0,0]=4 4340 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,0,0,0,0,1|3,0,0]=4 4341 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,0,0,0,0,1|3,0,0]=4 4342 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,0,0,0,0,1|3,0,0]=4 4343 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,0,0,0,0,1|3,0,0]=4 4344 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,0,0,0,0,1|3,0,0]=4 4345 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,0,0,0,0,1|3,0,0]=4 4346 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,0,0,0,0,1|3,0,0]=4 4347 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,0,0,0,0,1|3,0,0]=4 4348 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,0,0,0,0,1|3,0,0]=4 4349 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,0,0,0,0,1|3,0,0]=4 4350 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,0,0,0,0,1|3,0,0]=4 4351 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,0,0,0,0,1|3,0,0]=4 4352 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,0,0,0,0,1|3,0,0]=4 4353 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,0,0,0,0,1|3,0,0]=4 4354 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,0,0,0,0,1|3,0,0]=4 4355 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,0,0,0,0,1|3,0,0]=4 4356 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,0,0,0,0,1|3,0,0]=4 4357 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,0,0,0,0,1|3,0,0]=4 4358 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,0,0,0,0,1|3,0,0]=4 4359 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,0,0,0,0,1|3,0,0]=4 4360 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,0,0,0,0,1|3,0,0]=4 4361 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,0,0,0,0,1|3,0,0]=4 4362 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,0,0,0,0,1|3,0,0]=4 4363 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,0,0,0,0,1|3,0,0]=4 4364 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,0,0,0,0,1|3,0,0]=4 4365 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,0,0,0,0,1|3,0,0]=4 4366 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,0,0,0,0,1|3,0,0]=4 4367 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,0,0,0,0,1|3,0,0]=4 4368 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,0,0,0,0,1|3,0,0]=4 4369 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,0,0,0,0,1|3,0,0]=4 4370 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,0,0,0,0,1|3,0,0]=4 4371 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,0,0,0,0,1|3,0,0]=4 4372 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,0,0,0,0,1|3,0,0]=4 4373 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,0,0,0,0,1|2,0,0]=3 4374 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,0,0,0,0,1|2,0,0]=3 4375 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,0,0,0,0,1|2,0,0]=3 4376 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,0,0,0,0,1|2,0,0]=3 4377 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,0,0,0,0,1|2,0,0]=3 4378 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,0,0,0,0,1|3,0,0]=4 4379 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,0,0,0,0,1|3,0,0]=4 4380 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,0,0,0,0,1|3,0,0]=4 4381 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,0,0,0,0,1|3,0,0]=4 4382 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,0,0,0,0,1|3,0,0]=4 4383 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,0,0,0,0,1|2,0,0]=3 4384 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,0,0,0,0,1|2,0,0]=3 4385 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,0,0,0,0,1|2,0,0]=3 4386 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,0,0,0,0,1|2,0,0]=3 4387 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,0,0,0,0,1|2,0,0]=3 4388 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,0,0,0,0,1|2,0,0]=3 4389 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,0,0,0,0,1|3,0,0]=4 4390 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,0,0,0,0,1|3,0,0]=4 4391 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,0,0,0,0,1|3,0,0]=4 4392 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,0,0,0,0,1|3,0,0]=4 4393 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,0,0,0,0,1|3,0,0]=4 4394 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,0,0,0,0,1|3,0,0]=4 4395 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,0,0,0,0,1|2,0,0]=3 4396 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,0,0,0,0,1|2,0,0]=3 4397 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,0,0,0,0,1|3,0,0]=4 4398 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,0,0,0,0,1|3,0,0]=4 4399 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,0,0,0,0,1|3,0,0]=4 4400 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,0,0,0,0,1|3,0,0]=4 4401 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,0,0,0,0,1|3,0,0]=4 4402 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,0,0,0,0,1|3,0,0]=4 4403 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,0,0,0,0,1|3,0,0]=4 4404 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,0,0,0,0,1|3,0,0]=4 4405 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,1,0,0,0|0,0,2]=4 4406 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,1,0,0,0|0,0,2]=4 4407 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,0,1,0,0,0|2,0,0]=4 4408 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,1,0,0,0|2,0,0]=4 4409 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,0,1,0,0,0|2,0,0]=4 4410 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,0,1,0,0,0|2,0,0]=4 4411 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,1,0,0,0|0,0,2]=4 4412 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,0,1,0,0,0|1,0,1]=4 4413 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,0,1,0,0,0|1,0,1]=4 4414 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,0,1,0,0,0|1,0,1]=4 4415 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,1,0,0,0|2,0,0]=4 4416 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,1,0,0,0|1,0,1]=4 4417 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,1,0,0,0|1,0,1]=4 4418 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,1,0,0,0|1,0,1]=4 4419 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,1,0,0,0|0,0,1]=3 4420 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,1,0,0,0|0,0,1]=3 4421 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,1,0,0,0|0,0,1]=3 4422 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,1,0,0,0|1,0,1]=4 4423 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,1,0,0,0|1,0,1]=4 4424 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,1,0,0,0|1,0,1]=4 4425 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,1,0,0,0|1,0,1]=4 4426 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,1,0,0,0|1,0,1]=4 4427 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,1,0,0,0|1,0,1]=4 4428 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,1,0,0,0|1,0,1]=4 4429 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,1,0,0,0|1,0,1]=4 4430 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,0,1,0,0,0|1,0,1]=4 4431 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,0,1,0,0,0|1,0,1]=4 4432 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,0,1,0,0,0|1,0,1]=4 4433 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,0,1,0,0,0|1,0,1]=4 4434 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,0,1,0,0,0|1,0,1]=4 4435 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,1,0,0,0|1,0,1]=4 4436 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,1,0,0,0|1,0,1]=4 4437 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,1,0,0,0|1,0,1]=4 4438 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,1,0,0,0|1,0,1]=4 4439 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,1,0,0,0|1,0,1]=4 4440 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,1,0,0,0|1,0,1]=4 4441 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,1,0,0,0|1,0,1]=4 4442 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,1,0,0,0|1,0,1]=4 4443 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,1,0,0,0|0,1,1]=4 4444 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,1,0,0,0|0,1,1]=4 4445 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,0,1,0,0,0|1,0,1]=4 4446 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,0,1,0,0,0|1,0,1]=4 4447 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,0,1,0,0,0|1,0,1]=4 4448 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,0,1,0,0,0|1,0,1]=4 4449 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,1,0,0,0|1,0,1]=4 4450 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,1,0,0,0|1,0,1]=4 4451 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,1,0,0,0|1,0,1]=4 4452 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,1,0,0,0|1,0,1]=4 4453 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,1,0,0,0|1,0,1]=4 4454 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,1,0,0,0|1,0,1]=4 4455 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,1,0,0,0|1,0,1]=4 4456 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,1,0,0,0|1,0,1]=4 4457 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,1,0,0,0|0,0,1]=3 4458 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,0,1,0,0,0|1,0,1]=4 4459 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,0,1,0,0,0|1,0,1]=4 4460 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,0,1,0,0,0|1,0,1]=4 4461 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,0,1,0,0,0|1,0,1]=4 4462 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,0,1,0,0,0|1,0,1]=4 4463 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,0,1,0,0,0|1,0,1]=4 4464 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,0,1,0,0,0|1,0,1]=4 4465 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,0,1,0,0,0|1,0,1]=4 4466 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,0,1,0,0,0|1,0,1]=4 4467 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,0,1,0,0,0|1,0,1]=4 4468 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,0,1,0,0,0|0,0,2]=4 4469 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,0,1,0,0,0|0,0,2]=4 4470 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,0,1,0,0,0|0,0,2]=4 4471 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,0,1,0,0,0|0,0,2]=4 4472 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,2]=4 4473 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [2,0,0,0,0,0|1,0,0]=3 4474 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [2,0,0,0,0,0|1,0,0]=3 4475 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [2,0,0,0,0,0|1,1,0]=4 4476 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [2,0,0,0,0,0|1,1,0]=4 4477 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [2,0,0,0,0,0|2,0,0]=4 4478 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [2,0,0,0,0,0|2,0,0]=4 4479 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [2,0,0,0,0,0|2,0,0]=4 4480 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [2,0,0,0,0,0|2,0,0]=4 4481 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [2,0,0,0,0,0|1,0,0]=3 4482 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 4483 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [2,0,0,0,0,0|1,0,0]=3 4484 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 4485 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [2,0,0,0,0,0|1,1,0]=4 4486 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [2,0,0,0,0,0|1,1,0]=4 4487 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [2,0,0,0,0,0|1,1,0]=4 4488 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [2,0,0,0,0,0|2,0,0]=4 4489 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [2,0,0,0,0,0|2,0,0]=4 4490 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 4491 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [2,0,0,0,0,0|2,0,0]=4 4492 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [2,0,0,0,0,0|2,0,0]=4 4493 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 4494 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [2,0,0,0,0,0|1,0,0]=3 4495 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [2,0,0,0,0,0|1,1,0]=4 4496 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [2,0,0,0,0,0|2,0,0]=4 4497 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [2,0,0,0,0,0|2,0,0]=4 4498 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [2,0,0,0,0,0|2,0,0]=4 4499 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [2,0,0,0,0,0|2,0,0]=4 4500 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [2,0,0,0,0,0|2,0,0]=4 4501 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [2,0,0,0,0,0|2,0,0]=4 4502 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [2,0,0,0,0,0|2,0,0]=4 4503 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 4504 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 4505 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [2,0,0,0,0,0|1,1,0]=4 4506 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [2,0,0,0,0,0|2,0,0]=4 4507 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [2,0,0,0,0,0|1,0,0]=3 4508 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [2,0,0,0,0,0|1,1,0]=4 4509 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [2,0,0,0,0,0|2,0,0]=4 4510 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [2,0,0,0,0,0|2,0,0]=4 4511 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [2,0,0,0,0,0|2,0,0]=4 4512 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [2,0,0,0,0,0|2,0,0]=4 4513 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,1,0,0,0|0,0,2]=4 4514 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,1,0,0,0|0,0,2]=4 4515 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,1,1,0,0,0|0,0,2]=4 4516 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,1,1,0,0,0|0,0,2]=4 4517 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,1,1,0,0,0|0,0,2]=4 4518 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,1,1,0,0,0|0,0,2]=4 4519 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,1,1,0,0,0|0,0,2]=4 4520 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,1,1,0,0,0|0,0,2]=4 4521 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,1,1,0,0,0|0,0,2]=4 4522 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,1,1,0,0,0|0,0,2]=4 4523 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,1,1,0,0,0|0,0,2]=4 4524 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,1,1,0,0,0|0,0,2]=4 4525 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,1,1,0,0,0|0,0,2]=4 4526 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,1,1,0,0,0|0,0,2]=4 4527 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,1,1,0,0,0|0,0,2]=4 4528 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,1,1,0,0,0|1,0,0]=3 4529 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,1,1,0,0,0|2,0,0]=4 4530 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,1,1,0,0,0|2,0,0]=4 4531 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,1,1,0,0,0|2,0,0]=4 4532 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,1,1,0,0,0|2,0,0]=4 4533 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,1,1,0,0,0|2,0,0]=4 4534 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,1,1,0,0,0|1,0,0]=3 4535 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,1,1,0,0,0|2,0,0]=4 4536 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,1,1,0,0,0|2,0,0]=4 4537 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,1,1,0,0,0|2,0,0]=4 4538 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,1,1,0,0,0|2,0,0]=4 4539 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,1,1,0,0,0|2,0,0]=4 4540 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,1,1,0,0,0|1,0,0]=3 4541 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,1,1,0,0,0|1,0,0]=3 4542 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,1,1,0,0,0|2,0,0]=4 4543 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,1,1,0,0,0|2,0,0]=4 4544 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,1,1,0,0,0|2,0,0]=4 4545 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,1,1,0,0,0|2,0,0]=4 4546 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,1,1,0,0,0|2,0,0]=4 4547 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,1,1,0,0,0|2,0,0]=4 4548 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,1,1,0,0,0|2,0,0]=4 4549 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,1,1,0,0,0|2,0,0]=4 4550 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,1,1,0,0,0|2,0,0]=4 4551 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,1,1,0,0,0|2,0,0]=4 4552 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,1,0,0,0|0,0,2]=4 4553 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,1,1,0,0,0|0,0,2]=4 4554 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,1,1,0,0,0|0,0,2]=4 4555 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,1,1,0,0,0|0,0,2]=4 4556 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,1,1,0,0,0|0,0,2]=4 4557 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,1,1,0,0,0|0,0,2]=4 4558 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,1,1,0,0,0|0,0,2]=4 4559 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,1,1,0,0,0|0,0,2]=4 4560 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,1,1,0,0,0|0,0,2]=4 4561 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,1,1,0,0,0|0,0,2]=4 4562 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,1,1,0,0,0|1,0,1]=4 4563 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,1,1,0,0,0|1,0,1]=4 4564 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,1,1,0,0,0|1,0,1]=4 4565 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,1,1,0,0,0|1,0,1]=4 4566 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,1,1,0,0,0|1,0,1]=4 4567 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,1,1,0,0,0|1,0,1]=4 4568 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,1,1,0,0,0|1,0,1]=4 4569 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,1,1,0,0,0|1,0,1]=4 4570 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,1,1,0,0,0|1,0,1]=4 4571 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,1,1,0,0,0|1,0,1]=4 4572 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,1,1,0,0,0|1,0,1]=4 4573 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,1,1,0,0,0|1,0,1]=4 4574 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,1,1,0,0,0|1,0,1]=4 4575 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,1,1,0,0,0|1,0,1]=4 4576 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,1,1,0,0,0|1,0,1]=4 4577 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,1,1,0,0,0|1,0,1]=4 4578 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,1,1,0,0,0|1,0,1]=4 4579 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,1,1,0,0,0|1,0,1]=4 4580 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,1,1,0,0,0|1,0,1]=4 4581 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,1,1,0,0,0|1,0,1]=4 4582 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,1,1,0,0,0|1,0,1]=4 4583 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,1,1,0,0,0|1,0,1]=4 4584 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,1,1,0,0,0|1,0,1]=4 4585 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,1,1,0,0,0|1,0,1]=4 4586 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,1,1,0,0,0|1,0,1]=4 4587 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,1,1,0,0,0|1,0,1]=4 4588 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,1,1,0,0,0|1,0,1]=4 4589 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,1,1,0,0,0|0,0,2]=4 4590 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,1,1,0,0,0|0,0,2]=4 4591 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,1,1,0,0,0|1,0,1]=4 4592 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,1,1,0,0,0|2,0,0]=4 4593 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,1,1,0,0,0|2,0,0]=4 4594 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,1,1,0,0,0|0,0,2]=4 4595 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,1,1,0,0,0|1,0,1]=4 4596 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,1,1,0,0,0|1,0,1]=4 4597 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,1,1,0,0,0|1,0,1]=4 4598 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,1,1,0,0,0|0,0,2]=4 4599 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,1,1,0,0,0|0,0,2]=4 4600 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,1,1,0,0,0|0,0,2]=4 4601 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,1,1,0,0,0|2,0,0]=4 4602 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,1,1,0,0,0|2,0,0]=4 4603 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,1,1,0,0,0|2,0,0]=4 4604 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,1,1,0,0,0|2,0,0]=4 4605 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,1,1,0,0,0|2,0,0]=4 4606 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,1,1,0,0,0|2,0,0]=4 4607 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,1,1,0,0,0|2,0,0]=4 4608 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,1,1,0,0,0|2,0,0]=4 4609 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,1,1,0,0,0|2,0,0]=4 4610 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,1,1,0,0,0|2,0,0]=4 4611 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,1,1,0,0,0|2,0,0]=4 4612 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,1,1,0,0,0|2,0,0]=4 4613 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,1,1,0,0,0|2,0,0]=4 4614 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,1,1,0,0,0|2,0,0]=4 4615 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,1,1,0,0,0|2,0,0]=4 4616 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,1,1,0,0,0|1,0,1]=4 4617 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,1,1,0,0,0|1,0,1]=4 4618 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,1,1,0,0,0|1,0,1]=4 4619 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,1,1,0,0,0|1,0,1]=4 4620 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,1,1,0,0,0|1,0,1]=4 4621 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,1,1,0,0,0|1,0,1]=4 4622 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,1,1,0,0,0|0,0,2]=4 4623 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,1,1,0,0,0|0,0,2]=4 4624 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,1,0,0,0|0,0,2]=4 4625 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,1,1,0,0,0|0,0,2]=4 4626 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,1,1,0,0,0|0,0,2]=4 4627 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,1,1,0,0,0|0,0,2]=4 4628 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,1,1,0,0,0|0,0,2]=4 4629 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,1,1,0,0,0|1,0,1]=4 4630 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,1,1,0,0,0|0,0,2]=4 4631 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,1,1,0,0,0|0,0,2]=4 4632 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,1,1,0,0,0|0,0,2]=4 4633 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,1,1,0,0,0|0,0,2]=4 4634 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,1,1,0,0,0|1,0,1]=4 4635 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,1,1,0,0,0|1,0,1]=4 4636 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,1,1,0,0,0|1,0,1]=4 4637 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [0,1,1,0,0,0|0,0,2]=4 4638 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [0,1,1,0,0,0|0,0,2]=4 4639 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [0,1,1,0,0,0|0,0,2]=4 4640 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [0,1,1,0,0,0|0,0,2]=4 4641 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,1,1,0,0,0|0,0,2]=4 4642 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,1,1,0,0,0|1,0,1]=4 4643 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,1,1,0,0,0|2,0,0]=4 4644 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,1,1,0,0,0|2,0,0]=4 4645 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,1,1,0,0,0|0,0,2]=4 4646 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,1,1,0,0,0|0,0,2]=4 4647 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,1,1,0,0,0|0,0,1]=3 4648 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,1,1,0,0,0|1,0,1]=4 4649 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,1,1,0,0,0|1,0,1]=4 4650 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,1,1,0,0,0|1,0,1]=4 4651 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,1,1,0,0,0|1,0,1]=4 4652 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,1,1,0,0,0|1,0,1]=4 4653 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,1,1,0,0,0|1,0,1]=4 4654 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,1,0,0,0|0,0,2]=4 4655 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,1,0,0,0|0,0,2]=4 4656 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,1,1,0,0,0|0,0,2]=4 4657 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,1,1,0,0,0|0,0,2]=4 4658 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,1,1,0,0,0|0,0,2]=4 4659 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,1,1,0,0,0|2,0,0]=4 4660 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,1,1,0,0,0|2,0,0]=4 4661 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,1,1,0,0,0|2,0,0]=4 4662 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,1,1,0,0,0|0,0,2]=4 4663 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,1,1,0,0,0|0,0,2]=4 4664 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,1,1,0,0,0|0,0,2]=4 4665 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,1,1,0,0,0|0,0,2]=4 4666 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,1,1,0,0,0|0,0,2]=4 4667 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,1,0,0,0|0,0,2]=4 4668 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,1,1,0,0,0|0,0,2]=4 4669 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,1,1,0,0,0|0,0,2]=4 4670 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,1,1,0,0,0|2,0,0]=4 4671 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,1,1,0,0,0|2,0,0]=4 4672 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,1,1,0,0,0|2,0,0]=4 4673 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [0,1,1,0,0,0|2,0,0]=4 4674 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [0,1,1,0,0,0|2,0,0]=4 4675 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [0,1,1,0,0,0|2,0,0]=4 4676 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [0,1,1,0,0,0|2,0,0]=4 4677 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,1,0,0,0|0,0,2]=4 4678 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,1,0,0,0|0,0,2]=4 4679 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,1,0,0,0|0,0,2]=4 4680 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,1,0,0,0|0,0,2]=4 4681 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,1,0,0,0|0,0,2]=4 4682 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,1,0,0,0|0,0,2]=4 4683 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,1,1,0,0,0|0,0,2]=4 4684 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,1,1,0,0,0|0,0,2]=4 4685 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,1,1,0,0,0|0,0,2]=4 4686 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,1,0,0,0|0,0,2]=4 4687 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,1,0,0,0|0,0,2]=4 4688 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,1,0,0,0|0,0,2]=4 4689 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,1,0,0,0|0,0,2]=4 4690 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,1,1,0,0,0|1,0,0]=3 4691 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [0,1,1,0,0,0|2,0,0]=4 4692 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [0,1,1,0,0,0|2,0,0]=4 4693 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [0,1,1,0,0,0|2,0,0]=4 4694 B10R0.71 C/C=C/C=C/COCCSC 34a_100016283227_100000212216 [0,1,1,0,0,0|2,0,0]=4 4695 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,1,1,0,0,0|0,0,2]=4 4696 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,1,1,0,0,0|0,0,2]=4 4697 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,1,1,0,0,0|0,0,2]=4 4698 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,1,0,0,0|0,0,2]=4 4699 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,1,0,0,0|0,0,2]=4 4700 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,1,0,0,0|0,0,2]=4 4701 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [0,1,1,0,0,0|0,0,2]=4 4702 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [0,1,1,0,0,0|0,0,2]=4 4703 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [0,1,1,0,0,0|0,0,2]=4 4704 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [0,1,1,0,0,0|0,0,2]=4 4705 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,1,1,0,0,0|0,0,2]=4 4706 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,1,1,0,0,0|0,0,2]=4 4707 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,1,1,0,0,0|0,0,2]=4 4708 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [0,1,1,0,0,0|0,0,2]=4 4709 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [0,1,1,0,0,0|0,0,2]=4 4710 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [0,1,1,0,0,0|0,0,2]=4 4711 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [0,1,1,0,0,0|0,0,2]=4 4712 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [0,1,1,0,0,0|0,0,2]=4 4713 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [0,1,1,0,0,0|0,0,2]=4 4714 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,1,1,0,0,0|0,0,2]=4 4715 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [0,1,1,0,0,0|0,0,2]=4 4716 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,1,1,0,0,0|0,0,2]=4 4717 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,1,1,0,0,0|0,0,2]=4 4718 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,1,1,0,0,0|0,0,2]=4 4719 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,1,1,0,0,0|0,0,2]=4 4720 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,1,1,0,0,0|0,0,2]=4 4721 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,1,1,0,0,0|0,0,2]=4 4722 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,1,1,0,0,0|0,0,2]=4 4723 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,1,1,0,0,0|0,0,2]=4 4724 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,1,1,0,0,0|0,0,2]=4 4725 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,1,1,0,0,0|0,0,2]=4 4726 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,1,1,0,0,0|0,0,2]=4 4727 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,1,1,0,0,0|0,0,2]=4 4728 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,1,1,0,0,0|0,0,2]=4 4729 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,1,0,0,0|0,0,2]=4 4730 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,1,0,0,0|0,0,2]=4 4731 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,1,0,0,0|0,0,2]=4 4732 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,1,0,0,0|0,0,2]=4 4733 B10R0.74 C/C=C/C=C/COC(C)CC 34a_100016283227_100011215416 [0,1,1,0,0,0|2,0,0]=4 4734 B10R0.74 C=CC(=NNCCCCC)C 4a_100000694160_200015361842 [0,1,1,0,0,0|2,0,0]=4 4735 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,1,0,0,0|1,0,1]=4 4736 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,1,0,0,0|1,0,1]=4 4737 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,1,0,0,0|1,0,1]=4 4738 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,1,1,0,0,0|2,0,0]=4 4739 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,1,1,0,0,0|1,0,1]=4 4740 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,1,1,0,0,0|1,0,1]=4 4741 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,1,1,0,0,0|1,0,1]=4 4742 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [0,1,1,0,0,0|0,0,2]=4 4743 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,1,1,0,0,0|0,0,2]=4 4744 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,1,0,0,0|1,0,1]=4 4745 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,1,1,0,0,0|1,0,1]=4 4746 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,1,1,0,0,0|2,0,0]=4 4747 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,1,1,0,0,0|2,0,0]=4 4748 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,1,1,0,0,0|2,0,0]=4 4749 B10R0.41 C=CC(C=C)OCCCCC 34a_100000033096_100000718602 [0,1,1,0,0,0|1,0,1]=4 4750 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,1,1,0,0,0|0,0,2]=4 4751 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,1,1,0,0,0|0,0,2]=4 4752 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,1,1,0,0,0|0,0,2]=4 4753 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,1,1,0,0,0|0,0,2]=4 4754 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [1,1,0,0,0,0|2,0,0]=4 4755 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [1,1,0,0,0,0|1,1,0]=4 4756 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [1,1,0,0,0,0|1,1,0]=4 4757 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,1,0,0,0,0|1,0,0]=3 4758 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,1,0,0,0,0|1,0,0]=3 4759 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,1,0,0,0,0|1,0,0]=3 4760 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [1,1,0,0,0,0|1,1,0]=4 4761 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [1,1,0,0,0,0|1,0,1]=4 4762 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,1,0,0,0,0|1,0,0]=3 4763 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [1,1,0,0,0,0|1,1,0]=4 4764 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [1,1,0,0,0,0|1,0,1]=4 4765 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [1,1,0,0,0,0|1,0,1]=4 4766 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [1,1,0,0,0,0|2,0,0]=4 4767 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [1,1,0,0,0,0|2,0,0]=4 4768 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,1,0,0,0,0|1,0,0]=3 4769 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [1,1,0,0,0,0|1,1,0]=4 4770 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [1,1,0,0,0,0|1,0,1]=4 4771 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [1,1,0,0,0,0|1,0,1]=4 4772 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [1,1,0,0,0,0|2,0,0]=4 4773 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [1,1,0,0,0,0|2,0,0]=4 4774 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [1,1,0,0,0,0|2,0,0]=4 4775 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [1,1,0,0,0,0|0,1,0]=3 4776 B10R1.16 CCCCc1cc(n[nH]1)Br 271570a_100020621405_100160470719 [1,1,0,0,0,0|2,0,0]=4 4777 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [1,1,0,0,0,0|1,1,0]=4 4778 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [1,1,0,0,0,0|0,1,0]=3 4779 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,1,0,0,0,0|0,1,0]=3 4780 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [1,1,0,0,0,0|2,0,0]=4 4781 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [1,1,0,0,0,0|2,0,0]=4 4782 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [1,1,0,0,0,0|1,1,0]=4 4783 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [1,1,0,0,0,0|2,0,0]=4 4784 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [1,1,0,0,0,0|2,0,0]=4 4785 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [1,1,0,0,0,0|2,0,0]=4 4786 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [1,1,0,0,0,0|2,0,0]=4 4787 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [1,1,0,0,0,0|1,1,0]=4 4788 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [1,1,0,0,0,0|1,1,0]=4 4789 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [1,1,0,0,0,0|1,1,0]=4 4790 B10R1.16 CCCCc1nc(no1)C 270196a_100000212224_100000210183 [1,1,0,0,0,0|2,0,0]=4 4791 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [1,1,0,0,0,0|1,1,0]=4 4792 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [1,1,0,0,0,0|2,0,0]=4 4793 B10R1.16 CCCCn1cc(cn1)O 271570a_203496583355_200011400202 [1,1,0,0,0,0|2,0,0]=4 4794 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [1,1,0,0,0,0|1,1,0]=4 4795 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [1,1,0,0,0,0|1,1,0]=4 4796 B10R1.16 CCCSc1ccc(s1)Br 62a_100000210303_100010197418 [1,1,0,0,0,0|1,1,0]=4 4797 B10R1.16 CCCSc1ccc(s1)Br 62a_100010197418_100000210303 [1,1,0,0,0,0|1,1,0]=4 4798 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [1,1,0,0,0,0|1,1,0]=4 4799 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [1,1,0,0,0,0|1,1,0]=4 4800 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [1,1,0,0,0,0|2,0,0]=4 4801 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [1,1,0,0,0,0|1,0,0]=3 4802 B10R1.16 CCNCc1cc(cs1)Br 207a_100015525214_100000211722 [1,1,0,0,0,0|1,1,0]=4 4803 B10R1.16 CCNCc1cc(cs1)Br 2230a_100000741024_100000210202 [1,1,0,0,0,0|1,1,0]=4 4804 B10R1.16 CCNCc1cc(cs1)Br 2230a_100015525214_100000746031 [1,1,0,0,0,0|1,1,0]=4 4805 B10R1.16 CCNCc1cc(cs1)Br 270004a_100015525214_100000211722 [1,1,0,0,0,0|1,1,0]=4 4806 B10R1.16 CCNCc1cc(cs1)Br 34a_100000741024_100000210202 [1,1,0,0,0,0|1,1,0]=4 4807 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [1,1,0,0,0,0|1,1,0]=4 4808 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [1,1,0,0,0,0|1,1,0]=4 4809 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [1,1,0,0,0,0|1,1,0]=4 4810 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [1,1,0,0,0,0|1,1,0]=4 4811 B10R1.16 CCNCc1cc(cs1)Cl 207a_100015525214_100000102487 [1,1,0,0,0,0|1,1,0]=4 4812 B10R1.16 CCNCc1cc(cs1)Cl 270004a_100015525214_100000102487 [1,1,0,0,0,0|1,1,0]=4 4813 B10R1.16 CCNCc1cc(cs1)I 207a_100015525214_100010179861 [1,1,0,0,0,0|1,1,0]=4 4814 B10R1.16 CCNCc1cc(no1)Br 2230a_100015193020_100000210202 [1,1,0,0,0,0|2,0,0]=4 4815 B10R1.16 CCNCc1cc(no1)Br 270004a_100015525214_100009819588 [1,1,0,0,0,0|2,0,0]=4 4816 B10R1.16 CCNCc1cc(no1)Br 34a_100015193020_100000210202 [1,1,0,0,0,0|2,0,0]=4 4817 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [1,1,0,0,0,0|2,0,0]=4 4818 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [1,1,0,0,0,0|2,0,0]=4 4819 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [1,1,0,0,0,0|2,0,0]=4 4820 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [1,1,0,0,0,0|2,0,0]=4 4821 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [1,1,0,0,0,0|2,0,0]=4 4822 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [1,1,0,0,0,0|1,0,0]=3 4823 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [1,1,0,0,0,0|1,0,0]=3 4824 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [1,1,0,0,0,0|1,0,0]=3 4825 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [1,1,0,0,0,0|1,0,0]=3 4826 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [1,1,0,0,0,0|1,0,0]=3 4827 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [1,1,0,0,0,0|1,0,0]=3 4828 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [1,1,0,0,0,0|1,0,0]=3 4829 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [1,1,0,0,0,0|1,0,0]=3 4830 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [1,1,0,0,0,0|1,0,0]=3 4831 B10R1.16 CCNCc1ccc(s1)Br 207a_100015525214_100000179771 [1,1,0,0,0,0|1,1,0]=4 4832 B10R1.16 CCNCc1ccc(s1)Br 2230a_100015525214_100000708592 [1,1,0,0,0,0|1,1,0]=4 4833 B10R1.16 CCNCc1ccc(s1)Br 270004a_100015525214_100000179771 [1,1,0,0,0,0|1,1,0]=4 4834 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [1,1,0,0,0,0|1,1,0]=4 4835 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [1,1,0,0,0,0|1,1,0]=4 4836 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [1,1,0,0,0,0|1,1,0]=4 4837 B10R1.16 CCNCc1ccc(s1)Cl 207a_100015525214_100000242774 [1,1,0,0,0,0|1,1,0]=4 4838 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100000737310_100000210202 [1,1,0,0,0,0|1,1,0]=4 4839 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100015525214_100000185097 [1,1,0,0,0,0|1,1,0]=4 4840 B10R1.16 CCNCc1ccc(s1)Cl 270004a_100015525214_100000242774 [1,1,0,0,0,0|1,1,0]=4 4841 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [1,1,0,0,0,0|2,0,0]=4 4842 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [1,1,0,0,0,0|2,0,0]=4 4843 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [1,1,0,0,0,0|2,0,0]=4 4844 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [1,1,0,0,0,0|2,0,0]=4 4845 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [1,1,0,0,0,0|1,1,0]=4 4846 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [1,1,0,0,0,0|1,1,0]=4 4847 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [1,1,0,0,0,0|1,1,0]=4 4848 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [1,1,0,0,0,0|1,1,0]=4 4849 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [1,1,0,0,0,0|1,1,0]=4 4850 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [1,1,0,0,0,0|1,1,0]=4 4851 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [1,1,0,0,0,0|2,0,0]=4 4852 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [1,1,0,0,0,0|2,0,0]=4 4853 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [1,1,0,0,0,0|2,0,0]=4 4854 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [1,1,0,0,0,0|1,0,0]=3 4855 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [1,1,0,0,0,0|1,0,0]=3 4856 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [1,1,0,0,0,0|1,0,0]=3 4857 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [1,1,0,0,0,0|1,0,0]=3 4858 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [1,1,0,0,0,0|1,1,0]=4 4859 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [1,1,0,0,0,0|1,1,0]=4 4860 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [1,1,0,0,0,0|1,1,0]=4 4861 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [1,1,0,0,0,0|1,1,0]=4 4862 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [1,1,0,0,0,0|1,1,0]=4 4863 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [1,1,0,0,0,0|2,0,0]=4 4864 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [1,1,0,0,0,0|2,0,0]=4 4865 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [1,1,0,0,0,0|2,0,0]=4 4866 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [1,1,0,0,0,0|2,0,0]=4 4867 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [1,1,0,0,0,0|1,1,0]=4 4868 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [1,1,0,0,0,0|1,1,0]=4 4869 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [1,1,0,0,0,0|1,1,0]=4 4870 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [1,1,0,0,0,0|1,1,0]=4 4871 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,1,0,0,0,0|1,0,0]=3 4872 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,1,0,0,0,0|1,0,0]=3 4873 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [1,1,0,0,0,0|1,1,0]=4 4874 B10R1.16 COCCc1cc(no1)Br 34a_100009816916_200000210301 [1,1,0,0,0,0|2,0,0]=4 4875 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [1,1,0,0,0,0|1,0,0]=3 4876 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [1,1,0,0,0,0|1,0,0]=3 4877 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,1,0,0,0,0|1,0,0]=3 4878 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,1,0,0,0,0|1,0,0]=3 4879 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [1,1,0,0,0,0|1,0,0]=3 4880 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [1,1,0,0,0,0|1,0,0]=3 4881 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [1,1,0,0,0,0|2,0,0]=4 4882 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [1,1,0,0,0,0|2,0,0]=4 4883 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [1,1,0,0,0,0|2,0,0]=4 4884 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [1,1,0,0,0,0|2,0,0]=4 4885 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [1,1,0,0,0,0|2,0,0]=4 4886 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [1,1,0,0,0,0|2,0,0]=4 4887 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [1,1,0,0,0,0|1,1,0]=4 4888 B10R1.16 [13CH3]OCCc1cc(no1)Br 34a_100009816916_200025704644 [1,1,0,0,0,0|2,0,0]=4 4889 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [1,1,0,0,0,0|2,0,0]=4 4890 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,1,0,0,0,0|1,0,0]=3 4891 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,1,0,0,0,0|1,0,0]=3 4892 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [1,1,0,0,0,0|1,1,0]=4 4893 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [1,1,0,0,0,0|1,0,1]=4 4894 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,1,0,0,0,0|0,0,1]=3 4895 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [1,1,0,0,0,0|0,1,1]=4 4896 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [1,1,0,0,0,0|1,0,1]=4 4897 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [1,1,0,0,0,0|1,0,0]=3 4898 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [1,1,0,0,0,0|1,0,0]=3 4899 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [1,1,0,0,0,0|1,1,0]=4 4900 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [1,1,0,0,0,0|1,1,0]=4 4901 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [1,1,0,0,0,0|2,0,0]=4 4902 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [1,1,0,0,0,0|2,0,0]=4 4903 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [1,1,0,0,0,0|2,0,0]=4 4904 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [1,1,0,0,0,0|2,0,0]=4 4905 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [1,1,0,0,0,0|1,0,0]=3 4906 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [1,1,0,0,0,0|1,0,0]=3 4907 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [1,1,0,0,0,0|1,0,0]=3 4908 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [1,1,0,0,0,0|1,0,0]=3 4909 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [1,1,0,0,0,0|1,1,0]=4 4910 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [1,1,0,0,0,0|1,1,0]=4 4911 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [1,1,0,0,0,0|1,1,0]=4 4912 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [1,1,0,0,0,0|1,1,0]=4 4913 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [1,1,0,0,0,0|2,0,0]=4 4914 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [1,1,0,0,0,0|2,0,0]=4 4915 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [1,1,0,0,0,0|1,0,0]=3 4916 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [1,1,0,0,0,0|1,0,0]=3 4917 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [1,1,0,0,0,0|1,1,0]=4 4918 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [1,1,0,0,0,0|1,1,0]=4 4919 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [1,1,0,0,0,0|2,0,0]=4 4920 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [1,1,0,0,0,0|1,0,1]=4 4921 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [1,1,0,0,0,0|1,0,1]=4 4922 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,1,0,0,0,0|1,0,0]=3 4923 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [1,1,0,0,0,0|1,1,0]=4 4924 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,1,0,0,0,0|1,0,0]=3 4925 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,1,0,0,0,0|1,0,0]=3 4926 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [1,1,0,0,0,0|2,0,0]=4 4927 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [1,1,0,0,0,0|2,0,0]=4 4928 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [1,1,0,0,0,0|2,0,0]=4 4929 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [1,1,0,0,0,0|2,0,0]=4 4930 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [1,1,0,0,0,0|1,0,1]=4 4931 B10R1.29 CCCCc1[nH]cnc1Cl 271570a_100020621405_100010200774 [1,1,0,0,0,0|2,0,0]=4 4932 B10R1.29 CCCCc1ccnn1C 271570a_100020621405_100000688441 [1,1,0,0,0,0|2,0,0]=4 4933 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [1,1,0,0,0,0|2,0,0]=4 4934 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [1,1,0,0,0,0|2,0,0]=4 4935 B10R1.29 CCCCc1cncn1C 271570a_100020621405_100009814087 [1,1,0,0,0,0|2,0,0]=4 4936 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [1,1,0,0,0,0|2,0,0]=4 4937 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [1,1,0,0,0,0|2,0,0]=4 4938 B10R1.29 CCCCc1n[nH]cc1Br 271570a_100020621405_100015839836 [1,1,0,0,0,0|2,0,0]=4 4939 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [1,1,0,0,0,0|2,0,0]=4 4940 B10R1.29 CCCCc1n[nH]cc1N 271570a_100020621405_100010894806 [1,1,0,0,0,0|2,0,0]=4 4941 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [1,1,0,0,0,0|2,0,0]=4 4942 B10R1.29 CCCCc1nccn1C 271570a_100020621405_100000707724 [1,1,0,0,0,0|2,0,0]=4 4943 B10R1.29 CCCCc1ncsc1C 271570a_100020621405_100000732656 [1,1,0,0,0,0|2,0,0]=4 4944 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [1,1,0,0,0,0|0,1,0]=3 4945 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,1,0,0,0,0|0,1,0]=3 4946 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [1,1,0,0,0,0|1,1,0]=4 4947 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [1,1,0,0,0,0|2,0,0]=4 4948 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [1,1,0,0,0,0|1,1,0]=4 4949 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [1,1,0,0,0,0|1,1,0]=4 4950 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [1,1,0,0,0,0|1,1,0]=4 4951 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [1,1,0,0,0,0|1,1,0]=4 4952 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [1,1,0,0,0,0|2,0,0]=4 4953 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [1,1,0,0,0,0|2,0,0]=4 4954 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [1,1,0,0,0,0|1,0,0]=3 4955 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [1,1,0,0,0,0|1,0,0]=3 4956 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [1,1,0,0,0,0|1,0,0]=3 4957 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [1,1,0,0,0,0|1,1,0]=4 4958 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [1,1,0,0,0,0|1,1,0]=4 4959 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [1,1,0,0,0,0|1,1,0]=4 4960 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [1,1,0,0,0,0|1,1,0]=4 4961 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [1,1,0,0,0,0|1,1,0]=4 4962 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [1,1,0,0,0,0|1,1,0]=4 4963 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [1,1,0,0,0,0|1,1,0]=4 4964 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [1,1,0,0,0,0|1,1,0]=4 4965 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [1,1,0,0,0,0|1,1,0]=4 4966 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [1,1,0,0,0,0|1,1,0]=4 4967 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [1,1,0,0,0,0|1,0,0]=3 4968 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [1,1,0,0,0,0|1,0,0]=3 4969 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [1,1,0,0,0,0|2,0,0]=4 4970 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [1,1,0,0,0,0|2,0,0]=4 4971 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [1,1,0,0,0,0|2,0,0]=4 4972 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [1,1,0,0,0,0|1,1,0]=4 4973 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [1,1,0,0,0,0|1,1,0]=4 4974 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [1,1,0,0,0,0|1,1,0]=4 4975 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [1,1,0,0,0,0|1,1,0]=4 4976 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [1,1,0,0,0,0|1,1,0]=4 4977 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [1,1,0,0,0,0|2,0,0]=4 4978 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [1,1,0,0,0,0|2,0,0]=4 4979 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [1,1,0,0,0,0|2,0,0]=4 4980 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [1,1,0,0,0,0|2,0,0]=4 4981 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4982 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4983 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [1,1,0,0,0,0|1,0,1]=4 4984 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [1,1,0,0,0,0|1,0,1]=4 4985 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [1,1,0,0,0,0|1,0,1]=4 4986 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [1,1,0,0,0,0|0,0,1]=3 4987 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [1,1,0,0,0,0|0,1,1]=4 4988 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [1,1,0,0,0,0|0,1,1]=4 4989 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,1,0,0,0,0|1,0,1]=4 4990 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,1,0,0,0,0|1,0,1]=4 4991 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,1,0,0,0,0|1,0,1]=4 4992 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,1,0,0,0,0|1,0,1]=4 4993 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [1,1,0,0,0,0|0,0,2]=4 4994 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [1,1,0,0,0,0|1,0,0]=3 4995 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [1,1,0,0,0,0|1,0,0]=3 4996 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [1,1,0,0,0,0|1,1,0]=4 4997 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [1,1,0,0,0,0|1,1,0]=4 4998 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [1,1,0,0,0,0|2,0,0]=4 4999 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [1,1,0,0,0,0|2,0,0]=4 5000 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [1,1,0,0,0,0|2,0,0]=4 5001 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [1,1,0,0,0,0|2,0,0]=4 5002 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [1,1,0,0,0,0|1,0,0]=3 5003 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [1,1,0,0,0,0|1,0,0]=3 5004 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [1,1,0,0,0,0|1,0,0]=3 5005 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [1,1,0,0,0,0|1,1,0]=4 5006 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [1,1,0,0,0,0|1,1,0]=4 5007 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [1,1,0,0,0,0|2,0,0]=4 5008 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [1,1,0,0,0,0|2,0,0]=4 5009 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [1,1,0,0,0,0|2,0,0]=4 5010 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [1,1,0,0,0,0|1,0,0]=3 5011 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [1,1,0,0,0,0|1,1,0]=4 5012 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [1,1,0,0,0,0|2,0,0]=4 5013 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [1,1,0,0,0,0|2,0,0]=4 5014 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [1,1,0,0,0,0|2,0,0]=4 5015 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [1,1,0,0,0,0|2,0,0]=4 5016 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [1,1,0,0,0,0|2,0,0]=4 5017 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [1,1,0,0,0,0|0,0,2]=4 5018 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [1,1,0,0,0,0|1,0,0]=3 5019 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [1,1,0,0,0,0|1,0,0]=3 5020 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [1,1,0,0,0,0|1,1,0]=4 5021 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [1,1,0,0,0,0|1,1,0]=4 5022 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [1,1,0,0,0,0|2,0,0]=4 5023 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [1,1,0,0,0,0|2,0,0]=4 5024 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [1,1,0,0,0,0|2,0,0]=4 5025 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [1,1,0,0,0,0|2,0,0]=4 5026 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [1,1,0,0,0,0|1,1,0]=4 5027 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [1,1,0,0,0,0|1,1,0]=4 5028 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [1,1,0,0,0,0|1,0,0]=3 5029 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [1,1,0,0,0,0|1,0,0]=3 5030 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [1,1,0,0,0,0|1,1,0]=4 5031 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [1,1,0,0,0,0|1,1,0]=4 5032 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [1,1,0,0,0,0|2,0,0]=4 5033 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [1,1,0,0,0,0|2,0,0]=4 5034 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [1,1,0,0,0,0|2,0,0]=4 5035 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [1,1,0,0,0,0|2,0,0]=4 5036 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [1,1,0,0,0,0|2,0,0]=4 5037 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [1,1,0,0,0,0|2,0,0]=4 5038 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [1,1,0,0,0,0|1,0,1]=4 5039 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [1,1,0,0,0,0|0,0,1]=3 5040 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [1,1,0,0,0,0|0,1,1]=4 5041 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,0,0,0,1|1,0,0]=3 5042 B12R1.1 CCCCCc1cnc(nc1)O 271570a_203496583355_200000062305 [0,1,0,0,0,1|2,0,0]=4 5043 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,1,0,0,0,1|2,0,0]=4 5044 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,1,0,0,0,1|2,0,0]=4 5045 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,1,0,0,0,1|2,0,0]=4 5046 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,1,0,0,0,1|2,0,0]=4 5047 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,1,0,0,0,1|2,0,0]=4 5048 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,1,0,0,0,1|2,0,0]=4 5049 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,1,0,0,0,1|2,0,0]=4 5050 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,1,0,0,0,1|2,0,0]=4 5051 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [0,1,0,0,0,1|2,0,0]=4 5052 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [0,1,0,0,0,1|2,0,0]=4 5053 B12R1.1 CCCCNc1ccc(nn1)C 27a_100000102301_100000744512 [0,1,0,0,0,1|2,0,0]=4 5054 B12R1.1 CCCCNc1ccc(nn1)O 271570a_203496583355_100000215281 [0,1,0,0,0,1|2,0,0]=4 5055 B12R1.1 CCCCNc1cnc(cn1)Br 27a_100000102301_100010187541 [0,1,0,0,0,1|2,0,0]=4 5056 B12R1.1 CCCCNc1cnc(cn1)C 27a_100000102301_100000074397 [0,1,0,0,0,1|2,0,0]=4 5057 B12R1.1 CCCCNc1cnc(cn1)F 27a_100000102301_100009856528 [0,1,0,0,0,1|2,0,0]=4 5058 B12R1.1 CCCCNc1ncc(cn1)Br 27a_100000102301_100000690281 [0,1,0,0,0,1|2,0,0]=4 5059 B12R1.1 CCCCNc1ncc(cn1)C 27a_100000102301_100000061069 [0,1,0,0,0,1|2,0,0]=4 5060 B12R1.1 CCCCNc1ncc(cn1)Cl 27a_100000102301_100011356929 [0,1,0,0,0,1|2,0,0]=4 5061 B12R1.1 CCCCNc1ncc(cn1)F 27a_100000102301_100000685220 [0,1,0,0,0,1|2,0,0]=4 5062 B12R1.1 CCCCNc1ncc(cn1)O 271570a_203496583355_200011938772 [0,1,0,0,0,1|2,0,0]=4 5063 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [0,1,0,0,0,1|2,0,0]=4 5064 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,1,0,0,0,1|2,0,0]=4 5065 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,1,0,0,0,1|2,0,0]=4 5066 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,1,0,0,0,1|2,0,0]=4 5067 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,1,0,0,0,1|2,0,0]=4 5068 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,1,0,0,0,1|2,0,0]=4 5069 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,1,0,0,0,1|2,0,0]=4 5070 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,1,0,0,0,1|2,0,0]=4 5071 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,1,0,0,0,1|2,0,0]=4 5072 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,1,0,0,0,1|2,0,0]=4 5073 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,1,0,0,0,1|2,0,0]=4 5074 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,1,0,0,0,1|2,0,0]=4 5075 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,1,0,0,0,1|2,0,0]=4 5076 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,1,0,0,0,1|2,0,0]=4 5077 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,1,0,0,0,1|2,0,0]=4 5078 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,1,0,0,0,1|2,0,0]=4 5079 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,1,0,0,0,1|2,0,0]=4 5080 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,1,0,0,0,1|2,0,0]=4 5081 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,1,0,0,0,1|2,0,0]=4 5082 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,1,0,0,0,1|2,0,0]=4 5083 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,1,0,0,0,1|2,0,0]=4 5084 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,1,0,0,0,1|2,0,0]=4 5085 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,1,0,0,0,1|2,0,0]=4 5086 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,1,0,0,0,1|2,0,0]=4 5087 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,1,0,0,0,1|2,0,0]=4 5088 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,1,0,0,0,1|2,0,0]=4 5089 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,1,0,0,0,1|2,0,0]=4 5090 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,1,0,0,0,1|2,0,0]=4 5091 B12R1.1 CCCCOc1cnc(cn1)Br 34a_100011934580_100000210210 [0,1,0,0,0,1|2,0,0]=4 5092 B12R1.1 CCCCOc1cnc(cn1)Cl 34a_100015839800_100000210210 [0,1,0,0,0,1|2,0,0]=4 5093 B12R1.1 CCCCOc1ncc(cn1)F 34a_100011934040_100000210210 [0,1,0,0,0,1|2,0,0]=4 5094 B12R1.1 CCCCSc1cc[n+](cc1)[O-] 62a_100000210211_100000039755 [0,1,0,0,0,1|2,0,0]=4 5095 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [0,1,0,0,0,1|2,0,0]=4 5096 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [0,1,0,0,0,1|2,0,0]=4 5097 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100000210211_100009820020 [0,1,0,0,0,1|2,0,0]=4 5098 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210210 [0,1,0,0,0,1|2,0,0]=4 5099 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,1,0,0,0,1|2,0,0]=4 5100 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,1,0,0,0,1|2,0,0]=4 5101 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,1,0,0,0,1|2,0,0]=4 5102 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,1,0,0,0,1|2,0,0]=4 5103 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,1,0,0,0,1|2,0,0]=4 5104 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,1,0,0,0,1|2,0,0]=4 5105 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,1,0,0,0,1|2,0,0]=4 5106 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,1,0,0,0,1|2,0,0]=4 5107 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,1,0,0,0,1|2,0,0]=4 5108 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,1,0,0,0,1|2,0,0]=4 5109 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,1,0,0,0,1|2,0,0]=4 5110 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [0,1,0,0,0,1|2,0,0]=4 5111 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [0,1,0,0,0,1|2,0,0]=4 5112 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [0,1,0,0,0,1|2,0,0]=4 5113 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [0,1,0,0,0,1|2,0,0]=4 5114 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,1,0,0,0,1|2,0,0]=4 5115 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,1,0,0,0,1|2,0,0]=4 5116 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [0,1,0,0,0,1|2,0,0]=4 5117 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [0,1,0,0,0,1|2,0,0]=4 5118 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [0,1,0,0,0,1|2,0,0]=4 5119 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [0,1,0,0,0,1|2,0,0]=4 5120 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [0,1,0,0,0,1|2,0,0]=4 5121 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [0,1,0,0,0,1|2,0,0]=4 5122 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100000210211_100009814638 [0,1,0,0,0,1|2,0,0]=4 5123 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100009814638_100000210210 [0,1,0,0,0,1|2,0,0]=4 5124 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000210211_100000751577 [0,1,0,0,0,1|2,0,0]=4 5125 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000751577_100000210210 [0,1,0,0,0,1|2,0,0]=4 5126 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [0,1,0,0,0,1|2,0,0]=4 5127 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [0,1,0,0,0,1|2,0,0]=4 5128 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000042367_100000210210 [0,1,0,0,0,1|2,0,0]=4 5129 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000210211_100000042367 [0,1,0,0,0,1|2,0,0]=4 5130 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000187370_100000210210 [0,1,0,0,0,1|2,0,0]=4 5131 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000210211_100000187370 [0,1,0,0,0,1|2,0,0]=4 5132 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000210211_100000744512 [0,1,0,0,0,1|2,0,0]=4 5133 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000744512_100000210210 [0,1,0,0,0,1|2,0,0]=4 5134 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000068654_100000210210 [0,1,0,0,0,1|2,0,0]=4 5135 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000210211_100000068654 [0,1,0,0,0,1|2,0,0]=4 5136 B12R1.1 CCCCSc1ccc(nn1)N 62a_100000210211_100010219413 [0,1,0,0,0,1|2,0,0]=4 5137 B12R1.1 CCCCSc1ccc(nn1)N 62a_100010219413_100000210210 [0,1,0,0,0,1|2,0,0]=4 5138 B12R1.1 CCCCSc1cnc(cn1)Br 62a_100000210211_100010187541 [0,1,0,0,0,1|2,0,0]=4 5139 B12R1.1 CCCCSc1cnc(cn1)Br 62a_100010187541_100000210210 [0,1,0,0,0,1|2,0,0]=4 5140 B12R1.1 CCCCSc1cnc(cn1)C 62a_100000210211_100011999403 [0,1,0,0,0,1|2,0,0]=4 5141 B12R1.1 CCCCSc1cnc(cn1)C 62a_100011999403_100000210210 [0,1,0,0,0,1|2,0,0]=4 5142 B12R1.1 CCCCSc1cnc(cn1)Cl 62a_100000210211_100010214907 [0,1,0,0,0,1|2,0,0]=4 5143 B12R1.1 CCCCSc1cnc(cn1)Cl 62a_100010214907_100000210210 [0,1,0,0,0,1|2,0,0]=4 5144 B12R1.1 CCCCSc1cnc(cn1)F 62a_100000210211_100009856528 [0,1,0,0,0,1|2,0,0]=4 5145 B12R1.1 CCCCSc1cnc(cn1)F 62a_100009856528_100000210210 [0,1,0,0,0,1|2,0,0]=4 5146 B12R1.1 CCCCSc1cnc(cn1)N 62a_100000210211_100000744751 [0,1,0,0,0,1|2,0,0]=4 5147 B12R1.1 CCCCSc1cnc(cn1)N 62a_100000744751_100000210210 [0,1,0,0,0,1|2,0,0]=4 5148 B12R1.1 CCCCSc1cnc(cn1)O 62a_100000210211_100015839800 [0,1,0,0,0,1|2,0,0]=4 5149 B12R1.1 CCCCSc1cnc(cn1)O 62a_100011934580_100000210210 [0,1,0,0,0,1|2,0,0]=4 5150 B12R1.1 CCCCSc1ncc(cn1)Br 62a_100000210211_100000690281 [0,1,0,0,0,1|2,0,0]=4 5151 B12R1.1 CCCCSc1ncc(cn1)Br 62a_100000690281_100000210210 [0,1,0,0,0,1|2,0,0]=4 5152 B12R1.1 CCCCSc1ncc(cn1)C 62a_100000061069_100000210210 [0,1,0,0,0,1|2,0,0]=4 5153 B12R1.1 CCCCSc1ncc(cn1)C 62a_100000210211_100000061069 [0,1,0,0,0,1|2,0,0]=4 5154 B12R1.1 CCCCSc1ncc(cn1)Cl 62a_100000210211_100011356929 [0,1,0,0,0,1|2,0,0]=4 5155 B12R1.1 CCCCSc1ncc(cn1)Cl 62a_100011356929_100000210210 [0,1,0,0,0,1|2,0,0]=4 5156 B12R1.1 CCCCSc1ncc(cn1)F 62a_100000210211_100000685220 [0,1,0,0,0,1|2,0,0]=4 5157 B12R1.1 CCCCSc1ncc(cn1)F 62a_100000685220_100000210210 [0,1,0,0,0,1|2,0,0]=4 5158 B12R1.1 CCCCSc1ncc(cn1)N 62a_100000068403_100000210210 [0,1,0,0,0,1|2,0,0]=4 5159 B12R1.1 CCCCSc1ncc(cn1)N 62a_100000210211_100000068403 [0,1,0,0,0,1|2,0,0]=4 5160 B12R1.1 CCCCSc1ncc(cn1)O 62a_100000210211_100000092845 [0,1,0,0,0,1|2,0,0]=4 5161 B12R1.1 CCCCSc1ncc(cn1)O 62a_100000730009_100000210210 [0,1,0,0,0,1|2,0,0]=4 5162 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [0,1,0,0,0,1|2,0,0]=4 5163 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [0,1,0,0,0,1|2,0,0]=4 5164 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,1,0,0,0,1|2,0,0]=4 5165 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,1,0,0,0,1|2,0,0]=4 5166 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,1,0,0,0,1|2,0,0]=4 5167 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,1,0,0,0,1|2,0,0]=4 5168 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,1,0,0,0,1|2,0,0]=4 5169 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,1,0,0,0,1|2,0,0]=4 5170 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,1,0,0,0,1|2,0,0]=4 5171 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,1,0,0,0,1|2,0,0]=4 5172 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,1,0,0,0,1|2,0,0]=4 5173 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,1,0,0,0,1|2,0,0]=4 5174 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,1,0,0,0,1|2,0,0]=4 5175 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,1,0,0,0,1|2,0,0]=4 5176 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,1,0,0,0,1|2,0,0]=4 5177 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,1,0,0,0,1|2,0,0]=4 5178 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,1,0,0,0,1|2,0,0]=4 5179 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,1,0,0,0,1|2,0,0]=4 5180 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,1,0,0,0,1|2,0,0]=4 5181 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,1,0,0,0,1|2,0,0]=4 5182 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,1,0,0,0,1|2,0,0]=4 5183 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,1,0,0,0,1|2,0,0]=4 5184 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,1,0,0,0,1|2,0,0]=4 5185 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,1,0,0,0,1|2,0,0]=4 5186 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,1,0,0,0,1|2,0,0]=4 5187 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,1,0,0,0,1|2,0,0]=4 5188 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,1,0,0,0,1|2,0,0]=4 5189 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,1,0,0,0,1|2,0,0]=4 5190 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,1,0,0,0,1|2,0,0]=4 5191 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,1,0,0,0,1|2,0,0]=4 5192 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,1,0,0,0,1|2,0,0]=4 5193 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,1,0,0,0,1|2,0,0]=4 5194 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,1,0,0,0,1|2,0,0]=4 5195 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,1,0,0,0,1|2,0,0]=4 5196 B12R1.1 CCCNCc1ccc(nc1)Br 2230a_100009817727_100000210303 [0,1,0,0,0,1|2,0,0]=4 5197 B12R1.1 CCCNCc1ccc(nc1)Br 34a_100009817727_100000210303 [0,1,0,0,0,1|2,0,0]=4 5198 B12R1.1 CCCNCc1ccc(nc1)C 270004a_100020643023_100000743784 [0,1,0,0,0,1|2,0,0]=4 5199 B12R1.1 CCCNCc1ccc(nc1)C 34a_100000740942_100000210303 [0,1,0,0,0,1|2,0,0]=4 5200 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [0,1,0,0,0,1|2,0,0]=4 5201 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [0,1,0,0,0,1|2,0,0]=4 5202 B12R1.1 CCCNCc1ccc(nc1)F 2230a_100000101913_100000210303 [0,1,0,0,0,1|2,0,0]=4 5203 B12R1.1 CCCNCc1ccc(nc1)F 34a_100000101913_100000210303 [0,1,0,0,0,1|2,0,0]=4 5204 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [0,1,0,0,0,1|2,0,0]=4 5205 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [0,1,0,0,0,1|2,0,0]=4 5206 B12R1.1 CCCNCc1ccc(nn1)Cl 270004a_100020643023_100000044651 [0,1,0,0,0,1|2,0,0]=4 5207 B12R1.1 CCCNCc1cnc(cn1)C 270004a_100020643023_100000685221 [0,1,0,0,0,1|2,0,0]=4 5208 B12R1.1 CCCNCc1cnc(cn1)C 34a_100132314150_100000210303 [0,1,0,0,0,1|2,0,0]=4 5209 B12R1.1 CCCNCc1cnc(cn1)Cl 270004a_100020643023_100012001714 [0,1,0,0,0,1|2,0,0]=4 5210 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [0,1,0,0,0,1|2,0,0]=4 5211 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [0,1,0,0,0,1|2,0,0]=4 5212 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [0,1,0,0,0,1|2,0,0]=4 5213 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,1,0,0,0,1|2,0,0]=4 5214 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,1,0,0,0,1|2,0,0]=4 5215 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,1,0,0,0,1|2,0,0]=4 5216 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,1,0,0,0,1|2,0,0]=4 5217 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,1,0,0,0,1|2,0,0]=4 5218 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,1,0,0,0,1|2,0,0]=4 5219 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,1,0,0,0,1|2,0,0]=4 5220 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,1,0,0,0,1|2,0,0]=4 5221 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,1,0,0,0,1|2,0,0]=4 5222 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,1,0,0,0,1|2,0,0]=4 5223 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,1,0,0,0,1|2,0,0]=4 5224 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,1,0,0,0,1|2,0,0]=4 5225 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,1,0,0,0,1|2,0,0]=4 5226 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,1,0,0,0,1|2,0,0]=4 5227 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,1,0,0,0,1|2,0,0]=4 5228 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,1,0,0,0,1|2,0,0]=4 5229 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,1,0,0,0,1|2,0,0]=4 5230 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,1,0,0,0,1|2,0,0]=4 5231 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,1,0,0,0,1|2,0,0]=4 5232 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,1,0,0,0,1|2,0,0]=4 5233 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,1,0,0,0,1|2,0,0]=4 5234 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,1,0,0,0,1|2,0,0]=4 5235 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,1,0,0,0,1|2,0,0]=4 5236 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,1,0,0,0,1|2,0,0]=4 5237 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,1,0,0,0,1|2,0,0]=4 5238 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,1,0,0,0,1|2,0,0]=4 5239 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,1,0,0,0,1|2,0,0]=4 5240 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,1,0,0,0,1|2,0,0]=4 5241 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,1,0,0,0,1|2,0,0]=4 5242 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,1,0,0,0,1|2,0,0]=4 5243 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,1,0,0,0,1|2,0,0]=4 5244 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,1,0,0,0,1|2,0,0]=4 5245 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,1,0,0,0,1|2,0,0]=4 5246 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,1,0,0,0,1|2,0,0]=4 5247 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,1,0,0,0,1|2,0,0]=4 5248 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,1,0,0,0,1|2,0,0]=4 5249 B12R1.1 CCCOCc1ccc(nn1)Cl 34a_100000210258_100016992710 [0,1,0,0,0,1|2,0,0]=4 5250 B12R1.1 CCCOCc1cnc(cn1)C 34a_100011273949_100000210303 [0,1,0,0,0,1|2,0,0]=4 5251 B12R1.1 CCCOCc1cnc(cn1)Cl 34a_100012002382_100000210303 [0,1,0,0,0,1|2,0,0]=4 5252 B12R1.1 CCCOCc1ncc(cn1)Br 34a_100000210258_100010064664 [0,1,0,0,0,1|2,0,0]=4 5253 B12R1.1 CCCOCc1ncc(cn1)C 34a_100000210258_100000685645 [0,1,0,0,0,1|2,0,0]=4 5254 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,1,0,0,0,1|2,0,0]=4 5255 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,1,0,0,0,1|2,0,0]=4 5256 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,1,0,0,0,1|2,0,0]=4 5257 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,1,0,0,0,1|2,0,0]=4 5258 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,1,0,0,0,1|2,0,0]=4 5259 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,1,0,0,0,1|2,0,0]=4 5260 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,1,0,0,0,1|2,0,0]=4 5261 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,1,0,0,0,1|2,0,0]=4 5262 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,1,0,0,0,1|2,0,0]=4 5263 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,1,0,0,0,1|2,0,0]=4 5264 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [0,1,0,0,0,1|2,0,0]=4 5265 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [0,1,0,0,0,1|2,0,0]=4 5266 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [0,1,0,0,0,1|2,0,0]=4 5267 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [0,1,0,0,0,1|2,0,0]=4 5268 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,1,0,0,0,1|2,0,0]=4 5269 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,1,0,0,0,1|2,0,0]=4 5270 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [0,1,0,0,0,1|2,0,0]=4 5271 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [0,1,0,0,0,1|2,0,0]=4 5272 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100000210303_100009831999 [0,1,0,0,0,1|2,0,0]=4 5273 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100009831999_100000210303 [0,1,0,0,0,1|2,0,0]=4 5274 B12R1.1 CCCSCc1ccc(nc1)C 62a_100000210303_100016987292 [0,1,0,0,0,1|2,0,0]=4 5275 B12R1.1 CCCSCc1ccc(nc1)C 62a_100016987292_100000210303 [0,1,0,0,0,1|2,0,0]=4 5276 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [0,1,0,0,0,1|2,0,0]=4 5277 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [0,1,0,0,0,1|2,0,0]=4 5278 B12R1.1 CCCSCc1ccc(nc1)F 62a_100000210303_100000099788 [0,1,0,0,0,1|2,0,0]=4 5279 B12R1.1 CCCSCc1ccc(nc1)F 62a_100009820150_100000210303 [0,1,0,0,0,1|2,0,0]=4 5280 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100000210303_100016992710 [0,1,0,0,0,1|2,0,0]=4 5281 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100016992710_100000210303 [0,1,0,0,0,1|2,0,0]=4 5282 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000210303_100000752025 [0,1,0,0,0,1|2,0,0]=4 5283 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000752025_100000210303 [0,1,0,0,0,1|2,0,0]=4 5284 B12R1.1 CCCSCc1ncc(cn1)Br 62a_100000210303_100010064664 [0,1,0,0,0,1|2,0,0]=4 5285 B12R1.1 CCCSCc1ncc(cn1)Br 62a_100010064664_100000210303 [0,1,0,0,0,1|2,0,0]=4 5286 B12R1.1 CCCSCc1ncc(cn1)C 62a_100000210303_100000685645 [0,1,0,0,0,1|2,0,0]=4 5287 B12R1.1 CCCSCc1ncc(cn1)C 62a_100000685645_100000210303 [0,1,0,0,0,1|2,0,0]=4 5288 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,1,0,0,0,1|2,0,0]=4 5289 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,1,0,0,0,1|2,0,0]=4 5290 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,1,0,0,0,1|2,0,0]=4 5291 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,1,0,0,0,1|2,0,0]=4 5292 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,1,0,0,0,1|2,0,0]=4 5293 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,1,0,0,0,1|2,0,0]=4 5294 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,1,0,0,0,1|2,0,0]=4 5295 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,1,0,0,0,1|2,0,0]=4 5296 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,1,0,0,0,1|2,0,0]=4 5297 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,1,0,0,0,1|2,0,0]=4 5298 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,1,0,0,0,1|2,0,0]=4 5299 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,1,0,0,0,1|2,0,0]=4 5300 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,1,0,0,0,1|2,0,0]=4 5301 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,1,0,0,0,1|2,0,0]=4 5302 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,1,0,0,0,1|2,0,0]=4 5303 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,1,0,0,0,1|2,0,0]=4 5304 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,1,0,0,0,1|2,0,0]=4 5305 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,1,0,0,0,1|2,0,0]=4 5306 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,1,0,0,0,1|2,0,0]=4 5307 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,1,0,0,0,1|2,0,0]=4 5308 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,1,0,0,0,1|2,0,0]=4 5309 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,1,0,0,0,1|2,0,0]=4 5310 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,1,0,0,0,1|2,0,0]=4 5311 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,1,0,0,0,1|2,0,0]=4 5312 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,1,0,0,0,1|2,0,0]=4 5313 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,1,0,0,0,1|2,0,0]=4 5314 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,1,0,0,0,1|2,0,0]=4 5315 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,1,0,0,0,1|2,0,0]=4 5316 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,1,0,0,0,1|2,0,0]=4 5317 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [0,1,0,0,0,1|2,0,0]=4 5318 B12R1.1 CCOCCc1ccc(nc1)C 34a_100011815783_100000210202 [0,1,0,0,0,1|2,0,0]=4 5319 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [0,1,0,0,0,1|2,0,0]=4 5320 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [0,1,0,0,0,1|2,0,0]=4 5321 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,1,0,0,0,1|2,0,0]=4 5322 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,1,0,0,0,1|2,0,0]=4 5323 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,1,0,0,0,1|2,0,0]=4 5324 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,1,0,0,0,1|2,0,0]=4 5325 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,1,0,0,0,1|2,0,0]=4 5326 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,1,0,0,0,1|2,0,0]=4 5327 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,1,0,0,0,1|2,0,0]=4 5328 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,1,0,0,0,1|2,0,0]=4 5329 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,1,0,0,0,1|2,0,0]=4 5330 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,1,0,0,0,1|2,0,0]=4 5331 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,1,0,0,0,1|2,0,0]=4 5332 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,1,0,0,0,1|2,0,0]=4 5333 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,1,0,0,0,1|2,0,0]=4 5334 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,1,0,0,0,1|2,0,0]=4 5335 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,1,0,0,0,1|2,0,0]=4 5336 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,1,0,0,0,1|2,0,0]=4 5337 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,1,0,0,0,1|2,0,0]=4 5338 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,1,0,0,0,1|2,0,0]=4 5339 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,1,0,0,0,1|2,0,0]=4 5340 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,1,0,0,0,1|2,0,0]=4 5341 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,1,0,0,0,1|2,0,0]=4 5342 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,1,0,0,0,1|2,0,0]=4 5343 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,1,0,0,0,1|2,0,0]=4 5344 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,1,0,0,0,1|2,0,0]=4 5345 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,1,0,0,0,1|2,0,0]=4 5346 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,1,0,0,0,1|2,0,0]=4 5347 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,1,0,0,0,1|2,0,0]=4 5348 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,1,0,0,0,1|2,0,0]=4 5349 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,1,0,0,0,1|2,0,0]=4 5350 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,1,0,0,0,1|2,0,0]=4 5351 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,1,0,0,0,1|2,0,0]=4 5352 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,1,0,0,0,1|2,0,0]=4 5353 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,1,0,0,0,1|2,0,0]=4 5354 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,1,0,0,0,1|2,0,0]=4 5355 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,1,0,0,0,1|2,0,0]=4 5356 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,1,0,0,0,1|2,0,0]=4 5357 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,1,0,0,0,1|2,0,0]=4 5358 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,1,0,0,0,1|2,0,0]=4 5359 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,1,0,0,0,1|2,0,0]=4 5360 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,1,0,0,0,1|2,0,0]=4 5361 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,1,0,0,0,1|2,0,0]=4 5362 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,1,0,0,0,1|2,0,0]=4 5363 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,1,0,0,0,1|2,0,0]=4 5364 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,1,0,0,0,1|2,0,0]=4 5365 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,1,0,0,0,1|2,0,0]=4 5366 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,1,0,0,0,1|2,0,0]=4 5367 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,1,0,0,0,1|2,0,0]=4 5368 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,1,0,0,0,1|2,0,0]=4 5369 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,1,0,0,0,1|2,0,0]=4 5370 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,1,0,0,0,1|2,0,0]=4 5371 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,1,0,0,0,1|2,0,0]=4 5372 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,1,0,0,0,1|2,0,0]=4 5373 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,1,0,0,0,1|2,0,0]=4 5374 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,1,0,0,0,1|2,0,0]=4 5375 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,1,0,0,0,1|2,0,0]=4 5376 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,1,0,0,0,1|2,0,0]=4 5377 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,1,0,0,0,1|2,0,0]=4 5378 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,1,0,0,0,1|2,0,0]=4 5379 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,1,0,0,0,1|2,0,0]=4 5380 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,1,0,0,0,1|2,0,0]=4 5381 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,1,0,0,0,1|2,0,0]=4 5382 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,1,0,0,0,1|2,0,0]=4 5383 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,1,0,0,0,1|2,0,0]=4 5384 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,1,0,0,0,1|2,0,0]=4 5385 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,1,0,0,0,1|2,0,0]=4 5386 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,1,0,0,0,1|2,0,0]=4 5387 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,1,0,0,0,1|2,0,0]=4 5388 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,1,0,0,0,1|2,0,0]=4 5389 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,1,0,0,0,1|2,0,0]=4 5390 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,1,0,0,0,1|2,0,0]=4 5391 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,1,0,0,0,1|2,0,0]=4 5392 B12R1.8 BrCCCOCc1ncccn1 34a_100011217188_100000703007 [0,1,0,0,0,1|2,0,0]=4 5393 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,1,0,0,0,1|2,0,0]=4 5394 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,1,0,0,0,1|1,0,1]=4 5395 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,1,0,0,0,1|1,0,1]=4 5396 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,1,0,0,0,1|1,0,1]=4 5397 B12R1.8 CCCCC=Cc1cccnn1 271570a_100016275911_100016991348 [0,1,0,0,0,1|1,0,1]=4 5398 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,1,0,0,0,1|1,0,1]=4 5399 B12R1.8 CCCCC=Cc1ccncn1 271570a_100016275911_100000703185 [0,1,0,0,0,1|1,0,1]=4 5400 B12R1.8 CCCCC=Cc1cnccn1 271570a_100016275911_100000758340 [0,1,0,0,0,1|1,0,1]=4 5401 B12R1.8 CCCCC=Cc1ncccn1 271570a_100016275911_100000211032 [0,1,0,0,0,1|1,0,1]=4 5402 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,1,0,0,0,1|1,0,0]=3 5403 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,1,0,0,0,1|1,0,0]=3 5404 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,1,0,0,0,1|1,0,0]=3 5405 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,1,0,0,0,1|1,0,0]=3 5406 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,1,0,0,0,1|1,0,0]=3 5407 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,1,0,0,0,1|1,0,0]=3 5408 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,1,0,0,0,1|1,0,0]=3 5409 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,1,0,0,0,1|1,0,0]=3 5410 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,1,0,0,0,1|1,0,0]=3 5411 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,1,0,0,0,1|1,0,0]=3 5412 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,1,0,0,0,1|2,0,0]=4 5413 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,1,0,0,0,1|2,0,0]=4 5414 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,1,0,0,0,1|1,0,0]=3 5415 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,1,0,0,0,1|1,0,0]=3 5416 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,1,0,0,0,1|1,0,0]=3 5417 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,1,0,0,0,1|1,0,0]=3 5418 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,1,0,0,0,1|1,0,0]=3 5419 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,1,0,0,0,1|1,0,0]=3 5420 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,1,0,0,0,1|1,0,0]=3 5421 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,1,0,0,0,1|1,0,0]=3 5422 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,1,0,0,0,1|1,0,0]=3 5423 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,1,0,0,0,1|1,0,0]=3 5424 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,1,0,0,0,1|1,0,0]=3 5425 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,1,0,0,0,1|1,0,0]=3 5426 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,1,0,0,0,1|2,0,0]=4 5427 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,1,0,0,0,1|2,0,0]=4 5428 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,1,0,0,0,1|1,0,0]=3 5429 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,1,0,0,0,1|1,0,0]=3 5430 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,1,0,0,0,1|2,0,0]=4 5431 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,1,0,0,0,1|2,0,0]=4 5432 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,1,0,0,0,1|1,0,0]=3 5433 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,1,0,0,0,1|1,0,0]=3 5434 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,1,0,0,0,1|1,0,0]=3 5435 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,1,0,0,0,1|1,0,0]=3 5436 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,1,0,0,0,1|1,0,0]=3 5437 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,1,0,0,0,1|1,0,0]=3 5438 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,1,0,0,0,1|1,0,0]=3 5439 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,1,0,0,0,1|1,0,0]=3 5440 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,1,0,0,0,1|1,0,0]=3 5441 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,1,0,0,0,1|1,0,0]=3 5442 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,1,0,0,0,1|1,0,0]=3 5443 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,1,0,0,0,1|1,0,0]=3 5444 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,1,0,0,0,1|1,0,0]=3 5445 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,1,0,0,0,1|1,0,0]=3 5446 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,1,0,0,0,1|1,0,0]=3 5447 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,1,0,0,0,1|1,0,0]=3 5448 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,1,0,0,0,1|1,0,0]=3 5449 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,1,0,0,0,1|1,0,0]=3 5450 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,1,0,0,0,1|1,0,0]=3 5451 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,1,0,0,0,1|1,0,0]=3 5452 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,1,0,0,0,1|1,0,0]=3 5453 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,1,0,0,0,1|1,0,0]=3 5454 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,1,0,0,0,1|2,0,0]=4 5455 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,1,0,0,0,1|1,0,0]=3 5456 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,1,0,0,0,1|1,0,0]=3 5457 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,1,0,0,0,1|1,0,0]=3 5458 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,1,0,0,0,1|2,0,0]=4 5459 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,1,0,0,0,1|2,0,0]=4 5460 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,1,0,0,0,1|2,0,0]=4 5461 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,1,0,0,0,1|2,0,0]=4 5462 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,1,0,0,0,1|1,0,0]=3 5463 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,1,0,0,0,1|1,0,0]=3 5464 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,1,0,0,0,1|1,0,0]=3 5465 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,1,0,0,0,1|0,0,2]=4 5466 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,1,0,0,0,1|1,0,0]=3 5467 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,1,0,0,0,1|1,0,0]=3 5468 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,1,0,0,0,1|1,0,0]=3 5469 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,1,0,0,0,1|1,0,0]=3 5470 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,1,0,0,0,1|1,0,0]=3 5471 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,1,0,0,0,1|1,0,0]=3 5472 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,1,0,0,0,1|1,0,0]=3 5473 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,1,0,0,0,1|1,0,0]=3 5474 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,1,0,0,0,1|1,0,0]=3 5475 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,1,0,0,0,1|1,0,0]=3 5476 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,1,0,0,0,1|1,0,0]=3 5477 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,1,0,0,0,1|1,0,0]=3 5478 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,1,0,0,0,1|1,0,0]=3 5479 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,1,0,0,0,1|2,0,0]=4 5480 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,1,0,0,0,1|2,0,0]=4 5481 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,1,0,0,0,1|1,0,0]=3 5482 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,1,0,0,0,1|1,0,0]=3 5483 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,1,0,0,0,1|1,0,0]=3 5484 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,1,0,0,0,1|1,0,0]=3 5485 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,1,0,0,0,1|1,0,0]=3 5486 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,1,0,0,0,1|1,0,0]=3 5487 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,1,0,0,0,1|1,0,0]=3 5488 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,1,0,0,0,1|1,0,0]=3 5489 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,1,0,0,0,1|1,0,0]=3 5490 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,1,0,0,0,1|1,0,0]=3 5491 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,1,0,0,0,1|1,0,0]=3 5492 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,1,0,0,0,1|1,0,0]=3 5493 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,1,0,0,0,1|1,0,0]=3 5494 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,1,0,0,0,1|1,0,0]=3 5495 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,1,0,0,0,1|2,0,0]=4 5496 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,1,0,0,0,1|2,0,0]=4 5497 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,1,0,0,0,1|1,0,0]=3 5498 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,1,0,0,0,1|1,0,0]=3 5499 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,1,0,0,0,1|1,0,0]=3 5500 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,1,0,0,0,1|1,0,0]=3 5501 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,1,0,0,0,1|1,0,0]=3 5502 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,1,0,0,0,1|1,0,0]=3 5503 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,1,0,0,0,1|1,0,0]=3 5504 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,1,0,0,0,1|1,0,0]=3 5505 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,1,0,0,0,1|1,0,0]=3 5506 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,1,0,0,0,1|1,0,0]=3 5507 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,1,0,0,0,1|1,0,0]=3 5508 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,1,0,0,0,1|1,0,0]=3 5509 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,1,0,0,0,1|2,0,0]=4 5510 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,1,0,0,0,1|1,0,0]=3 5511 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,1,0,0,0,1|1,0,0]=3 5512 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,1,0,0,0,1|1,0,0]=3 5513 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,1,0,0,0,1|1,0,0]=3 5514 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,1,0,0,0,1|1,0,0]=3 5515 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,1,0,0,0,1|1,0,0]=3 5516 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,1,0,0,0,1|1,0,0]=3 5517 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,1,0,0,0,1|1,0,0]=3 5518 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,1,0,0,0,1|2,0,0]=4 5519 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,1,0,0,0,1|2,0,0]=4 5520 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,1,0,0,0,1|1,0,0]=3 5521 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,1,0,0,0,1|1,0,0]=3 5522 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,1,0,0,0,1|1,0,0]=3 5523 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,1,0,0,0,1|1,0,0]=3 5524 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,1,0,0,0,1|1,0,0]=3 5525 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,1,0,0,0,1|1,0,0]=3 5526 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,1,0,0,0,1|2,0,0]=4 5527 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,1,0,0,0,1|2,0,0]=4 5528 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,1,0,0,0,1|2,0,0]=4 5529 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,1,0,0,0,1|2,0,0]=4 5530 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,1,0,0,0,1|2,0,0]=4 5531 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,1,0,0,0,1|2,0,0]=4 5532 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,1,0,0,0,1|2,0,0]=4 5533 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,1,0,0,0,1|2,0,0]=4 5534 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,1,0,0,0,1|2,0,0]=4 5535 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,1,0,0,0,1|2,0,0]=4 5536 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,1,0,0,0,1|1,0,0]=3 5537 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,1,0,0,0,1|1,0,0]=3 5538 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,1,0,0,0,1|1,0,0]=3 5539 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,1,0,0,0,1|1,0,0]=3 5540 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,1,0,0,0,1|1,0,0]=3 5541 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,1,0,0,0,1|1,0,0]=3 5542 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,1,0,0,0,1|1,0,0]=3 5543 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,1,0,0,0,1|2,0,0]=4 5544 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,1,0,0,0,1|2,0,0]=4 5545 B12R1.8 CCOCCNc1cccnn1 27a_100011200944_100016991348 [0,1,0,0,0,1|2,0,0]=4 5546 B12R1.8 CCOCCNc1ccncc1 34a_200011243140_100000210202 [0,1,0,0,0,1|2,0,0]=4 5547 B12R1.8 CCOCCNc1ccncn1 27a_100011200944_100000703185 [0,1,0,0,0,1|2,0,0]=4 5548 B12R1.8 CCOCCNc1cnccn1 27a_100011200944_100000211759 [0,1,0,0,0,1|2,0,0]=4 5549 B12R1.8 CCOCCNc1ncccn1 27a_100011200944_100000211032 [0,1,0,0,0,1|2,0,0]=4 5550 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,1,0,0,0,1|2,0,0]=4 5551 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,1,0,0,0,1|2,0,0]=4 5552 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,1,0,0,0,1|2,0,0]=4 5553 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,1,0,0,0,1|2,0,0]=4 5554 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,1,0,0,0,1|2,0,0]=4 5555 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,1,0,0,0,1|2,0,0]=4 5556 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,1,0,0,0,1|2,0,0]=4 5557 B12R1.8 CCOCCOc1ccncc1 34a_100000212176_100000210147 [0,1,0,0,0,1|2,0,0]=4 5558 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,1,0,0,0,1|2,0,0]=4 5559 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,1,0,0,0,1|2,0,0]=4 5560 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,1,0,0,0,1|2,0,0]=4 5561 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,1,0,0,0,1|2,0,0]=4 5562 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,1,0,0,0,1|2,0,0]=4 5563 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,1,0,0,0,1|2,0,0]=4 5564 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,1,0,0,0,1|2,0,0]=4 5565 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,1,0,0,0,1|2,0,0]=4 5566 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,1,0,0,0,1|2,0,0]=4 5567 B12R1.8 CCOCCSc1cccnn1 62a_100000210147_100016991348 [0,1,0,0,0,1|2,0,0]=4 5568 B12R1.8 CCOCCSc1cccnn1 62a_100016991348_100011215890 [0,1,0,0,0,1|2,0,0]=4 5569 B12R1.8 CCOCCSc1ccncc1 62a_100000210147_100000728582 [0,1,0,0,0,1|2,0,0]=4 5570 B12R1.8 CCOCCSc1ccncc1 62a_100000728582_100011215890 [0,1,0,0,0,1|2,0,0]=4 5571 B12R1.8 CCOCCSc1ccncn1 62a_100000210147_100000703185 [0,1,0,0,0,1|2,0,0]=4 5572 B12R1.8 CCOCCSc1ccncn1 62a_100000703185_100011215890 [0,1,0,0,0,1|2,0,0]=4 5573 B12R1.8 CCOCCSc1cnccn1 62a_100000210147_100000211759 [0,1,0,0,0,1|2,0,0]=4 5574 B12R1.8 CCOCCSc1cnccn1 62a_100000211759_100011215890 [0,1,0,0,0,1|2,0,0]=4 5575 B12R1.8 CCOCCSc1ncccn1 62a_100000210147_100000211032 [0,1,0,0,0,1|2,0,0]=4 5576 B12R1.8 CCOCCSc1ncccn1 62a_100000211032_100011215890 [0,1,0,0,0,1|2,0,0]=4 5577 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,1,0,0,0,1|2,0,0]=4 5578 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,1,0,0,0,1|2,0,0]=4 5579 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,1,0,0,0,1|2,0,0]=4 5580 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,1,0,0,0,1|2,0,0]=4 5581 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,1,0,0,0,1|2,0,0]=4 5582 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,1,0,0,0,1|2,0,0]=4 5583 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,1,0,0,0,1|2,0,0]=4 5584 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,1,0,0,0,1|2,0,0]=4 5585 B12R1.8 CCOCSCc1cccnn1 62a_100000739092_100016990269 [0,1,0,0,0,1|2,0,0]=4 5586 B12R1.8 CCOCSCc1cccnn1 62a_100016990269_100000739092 [0,1,0,0,0,1|2,0,0]=4 5587 B12R1.8 CCOCSCc1ccncc1 62a_100000739092_100015193705 [0,1,0,0,0,1|2,0,0]=4 5588 B12R1.8 CCOCSCc1ccncc1 62a_100015193705_100000739092 [0,1,0,0,0,1|2,0,0]=4 5589 B12R1.8 CCOCSCc1cnccn1 62a_100000739092_100016995436 [0,1,0,0,0,1|2,0,0]=4 5590 B12R1.8 CCOCSCc1cnccn1 62a_100016995436_100000739092 [0,1,0,0,0,1|2,0,0]=4 5591 B12R1.8 CCOCSCc1ncccn1 62a_100000703007_100000739092 [0,1,0,0,0,1|2,0,0]=4 5592 B12R1.8 CCOCSCc1ncccn1 62a_100000739092_100000703007 [0,1,0,0,0,1|2,0,0]=4 5593 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,1,0,0,0,1|1,0,0]=3 5594 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,1,0,0,0,1|1,0,0]=3 5595 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,1,0,0,0,1|2,0,0]=4 5596 B12R1.8 CCSCCNc1cccnn1 27a_100000106463_100016991348 [0,1,0,0,0,1|2,0,0]=4 5597 B12R1.8 CCSCCNc1ccncn1 27a_100000106463_100000703185 [0,1,0,0,0,1|2,0,0]=4 5598 B12R1.8 CCSCCNc1cnccn1 27a_100000106463_100000211759 [0,1,0,0,0,1|2,0,0]=4 5599 B12R1.8 CCSCCNc1ncccn1 27a_100000106463_100000211032 [0,1,0,0,0,1|2,0,0]=4 5600 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,1,0,0,0,1|2,0,0]=4 5601 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,1,0,0,0,1|2,0,0]=4 5602 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,1,0,0,0,1|2,0,0]=4 5603 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,1,0,0,0,1|2,0,0]=4 5604 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,1,0,0,0,1|2,0,0]=4 5605 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,1,0,0,0,1|2,0,0]=4 5606 B12R1.8 CCSCCOc1ccncc1 34a_100000212176_100000757381 [0,1,0,0,0,1|2,0,0]=4 5607 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,1,0,0,0,1|2,0,0]=4 5608 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,1,0,0,0,1|2,0,0]=4 5609 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,1,0,0,0,1|2,0,0]=4 5610 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,1,0,0,0,1|2,0,0]=4 5611 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,1,0,0,0,1|2,0,0]=4 5612 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,1,0,0,0,1|2,0,0]=4 5613 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,1,0,0,0,1|2,0,0]=4 5614 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,1,0,0,0,1|2,0,0]=4 5615 B12R1.8 CCSCCSc1cccnn1 62a_100000757381_100016991348 [0,1,0,0,0,1|2,0,0]=4 5616 B12R1.8 CCSCCSc1cccnn1 62a_100016991348_100000757381 [0,1,0,0,0,1|2,0,0]=4 5617 B12R1.8 CCSCCSc1ccncc1 62a_100000728582_100000757381 [0,1,0,0,0,1|2,0,0]=4 5618 B12R1.8 CCSCCSc1ccncc1 62a_100000757381_100000728582 [0,1,0,0,0,1|2,0,0]=4 5619 B12R1.8 CCSCCSc1ccncn1 62a_100000703185_100000757381 [0,1,0,0,0,1|2,0,0]=4 5620 B12R1.8 CCSCCSc1ccncn1 62a_100000757381_100000703185 [0,1,0,0,0,1|2,0,0]=4 5621 B12R1.8 CCSCCSc1cnccn1 62a_100000211759_100000757381 [0,1,0,0,0,1|2,0,0]=4 5622 B12R1.8 CCSCCSc1cnccn1 62a_100000757381_100000211759 [0,1,0,0,0,1|2,0,0]=4 5623 B12R1.8 CCSCCSc1ncccn1 62a_100000211032_100000757381 [0,1,0,0,0,1|2,0,0]=4 5624 B12R1.8 CCSCCSc1ncccn1 62a_100000757381_100000211032 [0,1,0,0,0,1|2,0,0]=4 5625 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,1,0,0,0,1|2,0,0]=4 5626 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,1,0,0,0,1|2,0,0]=4 5627 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,1,0,0,0,1|2,0,0]=4 5628 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,1,0,0,0,1|2,0,0]=4 5629 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,1,0,0,0,1|1,0,0]=3 5630 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,1,0,0,0,1|1,0,0]=3 5631 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,1,0,0,0,1|1,0,0]=3 5632 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,1,0,0,0,1|1,0,0]=3 5633 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,1,0,0,0,1|1,0,0]=3 5634 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,1,0,0,0,1|1,0,0]=3 5635 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,1,0,0,0,1|1,0,0]=3 5636 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,1,0,0,0,1|2,0,0]=4 5637 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,1,0,0,0,1|2,0,0]=4 5638 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,1,0,0,0,1|2,0,0]=4 5639 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,1,0,0,0,1|2,0,0]=4 5640 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,1,0,0,0,1|2,0,0]=4 5641 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,1,0,0,0,1|2,0,0]=4 5642 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,1,0,0,0,1|2,0,0]=4 5643 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,1,0,0,0,1|2,0,0]=4 5644 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,1,0,0,0,1|2,0,0]=4 5645 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,1,0,0,0,1|2,0,0]=4 5646 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,1,0,0,0,1|2,0,0]=4 5647 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,1,0,0,0,1|2,0,0]=4 5648 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,1,0,0,0,1|2,0,0]=4 5649 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,1,0,0,0,1|2,0,0]=4 5650 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,1,0,0,0,1|2,0,0]=4 5651 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,1,0,0,0,1|2,0,0]=4 5652 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,1,0,0,0,1|2,0,0]=4 5653 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,1,0,0,0,1|2,0,0]=4 5654 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,1,0,0,0,1|2,0,0]=4 5655 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,1,0,0,0,1|1,0,0]=3 5656 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,1,0,0,0,1|1,0,0]=3 5657 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,1,0,0,0,1|1,0,0]=3 5658 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,1,0,0,0,1|1,0,0]=3 5659 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,1,0,0,0,1|1,0,0]=3 5660 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,1,0,0,0,1|1,0,0]=3 5661 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,1,0,0,0,1|1,0,0]=3 5662 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,1,0,0,0,1|2,0,0]=4 5663 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,1|2,0,0]=4 5664 B12R1.8 COCCCNc1cccnn1 27a_100150723488_100016991348 [0,1,0,0,0,1|2,0,0]=4 5665 B12R1.8 COCCCNc1ccncn1 27a_100150723488_100000703185 [0,1,0,0,0,1|2,0,0]=4 5666 B12R1.8 COCCCNc1cnccn1 27a_100150723488_100000211759 [0,1,0,0,0,1|2,0,0]=4 5667 B12R1.8 COCCCNc1ncccn1 27a_100150723488_100000211032 [0,1,0,0,0,1|2,0,0]=4 5668 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,1,0,0,0,1|2,0,0]=4 5669 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,1,0,0,0,1|2,0,0]=4 5670 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,1,0,0,0,1|2,0,0]=4 5671 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,1,0,0,0,1|2,0,0]=4 5672 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,1,0,0,0,1|2,0,0]=4 5673 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,1,0,0,0,1|2,0,0]=4 5674 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,1,0,0,0,1|2,0,0]=4 5675 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [0,1,0,0,0,1|2,0,0]=4 5676 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,1,0,0,0,1|2,0,0]=4 5677 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,1,0,0,0,1|2,0,0]=4 5678 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,1,0,0,0,1|2,0,0]=4 5679 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,1,0,0,0,1|2,0,0]=4 5680 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,1,0,0,0,1|2,0,0]=4 5681 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,1,0,0,0,1|2,0,0]=4 5682 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,1,0,0,0,1|2,0,0]=4 5683 B12R1.8 COCCCSc1cccnn1 62a_100000709357_100016991348 [0,1,0,0,0,1|2,0,0]=4 5684 B12R1.8 COCCCSc1cccnn1 62a_100016991348_100000709357 [0,1,0,0,0,1|2,0,0]=4 5685 B12R1.8 COCCCSc1ccncc1 62a_100000709357_100000728582 [0,1,0,0,0,1|2,0,0]=4 5686 B12R1.8 COCCCSc1ccncc1 62a_100000728582_100000709357 [0,1,0,0,0,1|2,0,0]=4 5687 B12R1.8 COCCCSc1ccncn1 62a_100000703185_100000709357 [0,1,0,0,0,1|2,0,0]=4 5688 B12R1.8 COCCCSc1ccncn1 62a_100000709357_100000703185 [0,1,0,0,0,1|2,0,0]=4 5689 B12R1.8 COCCCSc1cnccn1 62a_100000211759_100000709357 [0,1,0,0,0,1|2,0,0]=4 5690 B12R1.8 COCCCSc1cnccn1 62a_100000709357_100000211759 [0,1,0,0,0,1|2,0,0]=4 5691 B12R1.8 COCCCSc1ncccn1 62a_100000211032_100000709357 [0,1,0,0,0,1|2,0,0]=4 5692 B12R1.8 COCCCSc1ncccn1 62a_100000709357_100000211032 [0,1,0,0,0,1|2,0,0]=4 5693 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,1,0,0,0,1|2,0,0]=4 5694 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,1,0,0,0,1|2,0,0]=4 5695 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,1,0,0,0,1|2,0,0]=4 5696 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,1,0,0,0,1|2,0,0]=4 5697 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,1,0,0,0,1|2,0,0]=4 5698 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,1,0,0,0,1|2,0,0]=4 5699 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,1,0,0,0,1|2,0,0]=4 5700 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,1,0,0,0,1|2,0,0]=4 5701 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,1,0,0,0,1|2,0,0]=4 5702 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,1,0,0,0,1|2,0,0]=4 5703 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,1,0,0,0,1|2,0,0]=4 5704 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,1,0,0,0,1|2,0,0]=4 5705 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,1,0,0,0,1|2,0,0]=4 5706 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,1,0,0,0,1|2,0,0]=4 5707 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,1,0,0,0,1|2,0,0]=4 5708 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,1,0,0,0,1|2,0,0]=4 5709 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,1,0,0,0,1|2,0,0]=4 5710 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,1,0,0,0,1|2,0,0]=4 5711 B12R1.8 COCCNCc1ncccn1 2230a_100000209980_100000703007 [0,1,0,0,0,1|2,0,0]=4 5712 B12R1.8 COCCNCc1ncccn1 270004a_100000209980_100011532527 [0,1,0,0,0,1|2,0,0]=4 5713 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,1,0,0,0,1|2,0,0]=4 5714 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,1,0,0,0,1|2,0,0]=4 5715 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,1,0,0,0,1|2,0,0]=4 5716 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,1,0,0,0,1|2,0,0]=4 5717 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,1,0,0,0,1|2,0,0]=4 5718 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,1,0,0,0,1|2,0,0]=4 5719 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,1,0,0,0,1|2,0,0]=4 5720 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,1,0,0,0,1|2,0,0]=4 5721 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,1,0,0,0,1|2,0,0]=4 5722 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,1,0,0,0,1|2,0,0]=4 5723 B12R1.8 COCCOCc1ncccn1 34a_100000210237_100000703007 [0,1,0,0,0,1|2,0,0]=4 5724 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,1,0,0,0,1|2,0,0]=4 5725 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,1,0,0,0,1|2,0,0]=4 5726 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,1,0,0,0,1|2,0,0]=4 5727 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,1,0,0,0,1|2,0,0]=4 5728 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,1,0,0,0,1|2,0,0]=4 5729 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,1,0,0,0,1|2,0,0]=4 5730 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,1,0,0,0,1|2,0,0]=4 5731 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,1,0,0,0,1|2,0,0]=4 5732 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,1,0,0,0,1|2,0,0]=4 5733 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,1,0,0,0,1|2,0,0]=4 5734 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,1,0,0,0,1|2,0,0]=4 5735 B12R1.8 COCCSCc1ccncc1 62a_100000233755_100015193705 [0,1,0,0,0,1|2,0,0]=4 5736 B12R1.8 COCCSCc1ccncc1 62a_100015193705_100000233755 [0,1,0,0,0,1|2,0,0]=4 5737 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,1,0,0,0,1|2,0,0]=4 5738 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,1,0,0,0,1|2,0,0]=4 5739 B12R1.8 COCCSCc1ncccn1 62a_100000233755_100000703007 [0,1,0,0,0,1|2,0,0]=4 5740 B12R1.8 COCCSCc1ncccn1 62a_100000703007_100000233755 [0,1,0,0,0,1|2,0,0]=4 5741 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,1,0,0,0,1|2,0,0]=4 5742 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,1,0,0,0,1|2,0,0]=4 5743 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,1,0,0,0,1|2,0,0]=4 5744 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,1,0,0,0,1|2,0,0]=4 5745 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,1,0,0,0,1|2,0,0]=4 5746 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,1,0,0,0,1|2,0,0]=4 5747 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,1,0,0,0,1|2,0,0]=4 5748 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,1,0,0,0,1|2,0,0]=4 5749 B12R1.8 COCSCCc1ccncc1 62a_100000723409_100000766300 [0,1,0,0,0,1|2,0,0]=4 5750 B12R1.8 COCSCCc1ccncc1 62a_100000766300_100000723409 [0,1,0,0,0,1|2,0,0]=4 5751 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,1,0,0,0,1|1,0,0]=3 5752 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,1,0,0,0,1|1,0,0]=3 5753 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,1,0,0,0,1|1,0,0]=3 5754 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,1,0,0,0,1|1,0,0]=3 5755 B12R1.8 CSCCCNc1cccnn1 27a_100000749238_100016991348 [0,1,0,0,0,1|2,0,0]=4 5756 B12R1.8 CSCCCNc1ccncn1 27a_100000749238_100000703185 [0,1,0,0,0,1|2,0,0]=4 5757 B12R1.8 CSCCCNc1cnccn1 27a_100000749238_100000211759 [0,1,0,0,0,1|2,0,0]=4 5758 B12R1.8 CSCCCNc1ncccn1 27a_100000749238_100000211032 [0,1,0,0,0,1|2,0,0]=4 5759 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,1,0,0,0,1|2,0,0]=4 5760 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,1,0,0,0,1|2,0,0]=4 5761 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,1,0,0,0,1|2,0,0]=4 5762 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,1,0,0,0,1|2,0,0]=4 5763 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,1,0,0,0,1|2,0,0]=4 5764 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,1,0,0,0,1|2,0,0]=4 5765 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,1,0,0,0,1|2,0,0]=4 5766 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,1,0,0,0,1|2,0,0]=4 5767 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,1,0,0,0,1|2,0,0]=4 5768 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,1,0,0,0,1|2,0,0]=4 5769 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,1,0,0,0,1|2,0,0]=4 5770 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,1,0,0,0,1|2,0,0]=4 5771 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,1,0,0,0,1|2,0,0]=4 5772 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,1,0,0,0,1|2,0,0]=4 5773 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,1,0,0,0,1|2,0,0]=4 5774 B12R1.8 CSCCNCc1cccnn1 2230a_100020590264_100016990269 [0,1,0,0,0,1|2,0,0]=4 5775 B12R1.8 CSCCNCc1cccnn1 2230a_100159270163_100000751147 [0,1,0,0,0,1|2,0,0]=4 5776 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,1,0,0,0,1|2,0,0]=4 5777 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,1,0,0,0,1|2,0,0]=4 5778 B12R1.8 CSCCNCc1cnccn1 2230a_100020590264_100016995436 [0,1,0,0,0,1|2,0,0]=4 5779 B12R1.8 CSCCNCc1cnccn1 270004a_100020590264_100000749867 [0,1,0,0,0,1|2,0,0]=4 5780 B12R1.8 CSCCNCc1ncccn1 2230a_100020590264_100000703007 [0,1,0,0,0,1|2,0,0]=4 5781 B12R1.8 CSCCNCc1ncccn1 270004a_100020590264_100011532527 [0,1,0,0,0,1|2,0,0]=4 5782 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,1,0,0,0,1|2,0,0]=4 5783 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,1,0,0,0,1|2,0,0]=4 5784 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,1,0,0,0,1|2,0,0]=4 5785 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,1,0,0,0,1|2,0,0]=4 5786 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,1,0,0,0,1|2,0,0]=4 5787 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,1,0,0,0,1|2,0,0]=4 5788 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,1,0,0,0,1|2,0,0]=4 5789 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,1,0,0,0,1|2,0,0]=4 5790 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,1,0,0,0,1|2,0,0]=4 5791 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,1,0,0,0,1|2,0,0]=4 5792 B12R1.8 CSCCOCc1cccnn1 34a_100000230434_100016990269 [0,1,0,0,0,1|2,0,0]=4 5793 B12R1.8 CSCCOCc1cccnn1 7a_100000230434_100016990269 [0,1,0,0,0,1|2,0,0]=4 5794 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [0,1,0,0,0,1|2,0,0]=4 5795 B12R1.8 CSCCOCc1cnccn1 34a_100000230434_100016995436 [0,1,0,0,0,1|2,0,0]=4 5796 B12R1.8 CSCCOCc1cnccn1 7a_100000230434_100016995436 [0,1,0,0,0,1|2,0,0]=4 5797 B12R1.8 CSCCOCc1ncccn1 34a_100000230434_100000703007 [0,1,0,0,0,1|2,0,0]=4 5798 B12R1.8 CSCCOCc1ncccn1 7a_100000230434_100000703007 [0,1,0,0,0,1|2,0,0]=4 5799 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,1,0,0,0,1|2,0,0]=4 5800 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,1,0,0,0,1|2,0,0]=4 5801 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,1,0,0,0,1|2,0,0]=4 5802 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,1,0,0,0,1|2,0,0]=4 5803 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,1,0,0,0,1|2,0,0]=4 5804 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,1,0,0,0,1|2,0,0]=4 5805 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,1,0,0,0,1|2,0,0]=4 5806 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,1,0,0,0,1|2,0,0]=4 5807 B12R1.8 CSCCSCc1cccnn1 62a_100000212216_100016990269 [0,1,0,0,0,1|2,0,0]=4 5808 B12R1.8 CSCCSCc1cccnn1 62a_100016990269_100000751147 [0,1,0,0,0,1|2,0,0]=4 5809 B12R1.8 CSCCSCc1ccncc1 62a_100000212216_100015193705 [0,1,0,0,0,1|2,0,0]=4 5810 B12R1.8 CSCCSCc1ccncc1 62a_100015193705_100000751147 [0,1,0,0,0,1|2,0,0]=4 5811 B12R1.8 CSCCSCc1cnccn1 62a_100000212216_100016995436 [0,1,0,0,0,1|2,0,0]=4 5812 B12R1.8 CSCCSCc1cnccn1 62a_100016995436_100000751147 [0,1,0,0,0,1|2,0,0]=4 5813 B12R1.8 CSCCSCc1ncccn1 62a_100000212216_100000703007 [0,1,0,0,0,1|2,0,0]=4 5814 B12R1.8 CSCCSCc1ncccn1 62a_100000703007_100000751147 [0,1,0,0,0,1|2,0,0]=4 5815 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,1,0,0,0,1|2,0,0]=4 5816 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,1,0,0,0,1|2,0,0]=4 5817 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,1,0,0,0,1|2,0,0]=4 5818 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,1,0,0,0,1|2,0,0]=4 5819 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,1,0,0,0,1|2,0,0]=4 5820 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,1,0,0,0,1|2,0,0]=4 5821 B12R1.8 CSCOCCc1ccncc1 34a_100011216225_100011218213 [0,1,0,0,0,1|2,0,0]=4 5822 B12R1.8 CSCOCCc1cnccn1 34a_100011349526_100011218213 [0,1,0,0,0,1|2,0,0]=4 5823 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,1,0,0,0,1|2,0,0]=4 5824 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,1,0,0,0,1|2,0,0]=4 5825 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,1,0,0,0,1|2,0,0]=4 5826 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,1,0,0,0,1|2,0,0]=4 5827 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,1,0,0,0,1|2,0,0]=4 5828 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,1,0,0,0,1|2,0,0]=4 5829 B12R1.8 CSCSCCc1ccncc1 62a_100000723409_100011218213 [0,1,0,0,0,1|2,0,0]=4 5830 B12R1.8 CSCSCCc1ccncc1 62a_100011218213_100000723409 [0,1,0,0,0,1|2,0,0]=4 5831 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,1,0,0,0,1|2,0,0]=4 5832 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,1,0,0,0,1|2,0,0]=4 5833 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,1,0,0,0,1|2,0,0]=4 5834 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,1,0,0,0,1|2,0,0]=4 5835 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,1,0,0,0,1|2,0,0]=4 5836 B12R1.8 ClCCCOCc1ncccn1 34a_100000230001_100000703007 [0,1,0,0,0,1|2,0,0]=4 5837 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,1,0,0,0,1|2,0,0]=4 5838 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,1,0,0,0,1|2,0,0]=4 5839 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,1,0,0,0,1|2,0,0]=4 5840 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,1,0,0,0,1|2,0,0]=4 5841 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,1,0,0,0,1|2,0,0]=4 5842 B12R1.8 FCCCCOc1ccncc1 34a_100000212176_100000729493 [0,1,0,0,0,1|2,0,0]=4 5843 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,1,0,0,0,1|2,0,0]=4 5844 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,1,0,0,0,1|2,0,0]=4 5845 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,1,0,0,0,1|2,0,0]=4 5846 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,1,0,0,0,1|2,0,0]=4 5847 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,1,0,0,0,1|2,0,0]=4 5848 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,1,0,0,0,1|2,0,0]=4 5849 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,1,0,0,0,1|2,0,0]=4 5850 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,1,0,0,0,1|2,0,0]=4 5851 B12R1.8 FCCCCSc1ccncc1 62a_100000728582_100000729493 [0,1,0,0,0,1|2,0,0]=4 5852 B12R1.8 FCCCCSc1ccncc1 62a_100000729493_100000728582 [0,1,0,0,0,1|2,0,0]=4 5853 B12R1.8 FCCCCSc1ccncn1 62a_100000703185_100000729493 [0,1,0,0,0,1|2,0,0]=4 5854 B12R1.8 FCCCCSc1ccncn1 62a_100000729493_100000703185 [0,1,0,0,0,1|2,0,0]=4 5855 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,1,0,0,0,1|2,0,0]=4 5856 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,1,0,0,0,1|2,0,0]=4 5857 B12R1.8 FCCCCSc1ncccn1 62a_100000211032_100000729493 [0,1,0,0,0,1|2,0,0]=4 5858 B12R1.8 FCCCCSc1ncccn1 62a_100000729493_100000211032 [0,1,0,0,0,1|2,0,0]=4 5859 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,1,0,0,0,1|2,0,0]=4 5860 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,1,0,0,0,1|2,0,0]=4 5861 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,1,0,0,0,1|2,0,0]=4 5862 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,1,0,0,0,1|2,0,0]=4 5863 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,1,0,0,0,1|2,0,0]=4 5864 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,1,0,0,0,1|2,0,0]=4 5865 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,1,0,0,0,1|2,0,0]=4 5866 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,1,0,0,0,1|2,0,0]=4 5867 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,1,0,0,0,1|2,0,0]=4 5868 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,1,0,0,0,1|2,0,0]=4 5869 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,1,0,0,0,1|2,0,0]=4 5870 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,1,0,0,0,1|2,0,0]=4 5871 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,1,0,0,0,1|2,0,0]=4 5872 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,1,0,0,0,1|2,0,0]=4 5873 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,1,0,0,0,1|2,0,0]=4 5874 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,1,0,0,0,1|2,0,0]=4 5875 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,1,0,0,0,1|2,0,0]=4 5876 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,1,0,0,0,1|2,0,0]=4 5877 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,1,0,0,0,1|2,0,0]=4 5878 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,1,0,0,0,1|2,0,0]=4 5879 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,1,0,0,0,1|2,0,0]=4 5880 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,1,0,0,0,1|2,0,0]=4 5881 B12R1.8 FCCCNCc1ncccn1 2230a_100015189416_100000703007 [0,1,0,0,0,1|2,0,0]=4 5882 B12R1.8 FCCCNCc1ncccn1 270004a_100015189416_100011532527 [0,1,0,0,0,1|2,0,0]=4 5883 B12R1.8 FCCCNCc1ncccn1 34a_100015189416_100000703007 [0,1,0,0,0,1|2,0,0]=4 5884 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,1,0,0,0,1|2,0,0]=4 5885 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,1,0,0,0,1|2,0,0]=4 5886 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,1,0,0,0,1|2,0,0]=4 5887 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,1,0,0,0,1|2,0,0]=4 5888 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,1,0,0,0,1|2,0,0]=4 5889 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,1,0,0,0,1|2,0,0]=4 5890 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,1,0,0,0,1|2,0,0]=4 5891 B12R1.8 FCCCOCc1ncccn1 34a_100000759539_100000703007 [0,1,0,0,0,1|2,0,0]=4 5892 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,1,0,0,0,1|2,0,0]=4 5893 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,1,0,0,0,1|2,0,0]=4 5894 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,1,0,0,0,1|2,0,0]=4 5895 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,1,0,0,0,1|2,0,0]=4 5896 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,1,0,0,0,1|2,0,0]=4 5897 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,1,0,0,0,1|2,0,0]=4 5898 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,1,0,0,0,1|2,0,0]=4 5899 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,1,0,0,0,1|2,0,0]=4 5900 B12R1.8 FCCCSCc1ccncc1 62a_100011934791_100015193705 [0,1,0,0,0,1|2,0,0]=4 5901 B12R1.8 FCCCSCc1ccncc1 62a_100015193705_100011934791 [0,1,0,0,0,1|2,0,0]=4 5902 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,1,0,0,0,1|2,0,0]=4 5903 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,1,0,0,0,1|2,0,0]=4 5904 B12R1.8 FCCCSCc1ncccn1 62a_100000703007_100011934791 [0,1,0,0,0,1|2,0,0]=4 5905 B12R1.8 FCCCSCc1ncccn1 62a_100011934791_100000703007 [0,1,0,0,0,1|2,0,0]=4 5906 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,1,0,0,0,1|2,0,0]=4 5907 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,1,0,0,0,1|2,0,0]=4 5908 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,1,0,0,0,1|2,0,0]=4 5909 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,1,0,0,0,1|2,0,0]=4 5910 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,1,0,0,0,1|2,0,0]=4 5911 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,1,0,0,0,1|2,0,0]=4 5912 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,1,0,0,0,1|2,0,0]=4 5913 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,1,0,0,0,1|2,0,0]=4 5914 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,1,0,0,0,1|2,0,0]=4 5915 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,1,0,0,0,1|2,0,0]=4 5916 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,1,0,0,0,1|2,0,0]=4 5917 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,1,0,0,0,1|2,0,0]=4 5918 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,1,0,0,0,1|2,0,0]=4 5919 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,1,0,0,0,1|2,0,0]=4 5920 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,1,0,0,0,1|2,0,0]=4 5921 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,1,0,0,0,1|2,0,0]=4 5922 B12R1.8 FCCSCCc1ccncc1 62a_100000723409_100011217306 [0,1,0,0,0,1|2,0,0]=4 5923 B12R1.8 FCCSCCc1ccncc1 62a_100011217306_100000723409 [0,1,0,0,0,1|2,0,0]=4 5924 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,1,0,0,0,1|2,0,0]=4 5925 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,1,0,0,0,1|2,0,0]=4 5926 B12R1.8 FCOCCCC1=CCC=CC1 34a_100020667889_100015361967 [0,1,0,0,0,1|2,0,0]=4 5927 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,1,0,0,0,1|2,0,0]=4 5928 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,1,0,0,0,1|2,0,0]=4 5929 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,1,0,0,0,1|2,0,0]=4 5930 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,1,0,0,0,1|2,0,0]=4 5931 B12R1.8 FCOCCCc1ccncc1 34a_100000210659_100015361967 [0,1,0,0,0,1|2,0,0]=4 5932 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,1,0,0,0,1|2,0,0]=4 5933 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,1,0,0,0,1|2,0,0]=4 5934 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,1,0,0,0,1|2,0,0]=4 5935 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,1,0,0,0,1|2,0,0]=4 5936 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,1,0,0,0,1|2,0,0]=4 5937 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,1,0,0,0,1|2,0,0]=4 5938 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,1,0,0,0,1|2,0,0]=4 5939 B12R1.8 NCCCOCc1ncccn1 34a_100000182051_100000703007 [0,1,0,0,0,1|2,0,0]=4 5940 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,1,0,0,0,1|2,0,0]=4 5941 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,1,0,0,0,1|2,0,0]=4 5942 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,1,0,0,0,1|2,0,0]=4 5943 B12R1.8 OCCCCNc1ccncn1 27a_100000750430_100000703185 [0,1,0,0,0,1|2,0,0]=4 5944 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,1,0,0,0,1|2,0,0]=4 5945 B12R1.8 OCCCCNc1ncccn1 27a_100000750430_100000211032 [0,1,0,0,0,1|2,0,0]=4 5946 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,1,0,0,0,1|2,0,0]=4 5947 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,1,0,0,0,1|2,0,0]=4 5948 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,1,0,0,0,1|2,0,0]=4 5949 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,1,0,0,0,1|2,0,0]=4 5950 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [0,1,0,0,0,1|2,0,0]=4 5951 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,1,0,0,0,1|2,0,0]=4 5952 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,1,0,0,0,1|2,0,0]=4 5953 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,1,0,0,0,1|2,0,0]=4 5954 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,1,0,0,0,1|2,0,0]=4 5955 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,1,0,0,0,1|2,0,0]=4 5956 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,1,0,0,0,1|2,0,0]=4 5957 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,1,0,0,0,1|2,0,0]=4 5958 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,1,0,0,0,1|2,0,0]=4 5959 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [0,1,0,0,0,1|2,0,0]=4 5960 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [0,1,0,0,0,1|2,0,0]=4 5961 B12R1.8 OCCCCSc1ccncn1 62a_100000210776_100000703185 [0,1,0,0,0,1|2,0,0]=4 5962 B12R1.8 OCCCCSc1ccncn1 62a_100000703185_100000210776 [0,1,0,0,0,1|2,0,0]=4 5963 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,1,0,0,0,1|2,0,0]=4 5964 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,1,0,0,0,1|2,0,0]=4 5965 B12R1.8 OCCCCSc1ncccn1 62a_100000210776_100000211032 [0,1,0,0,0,1|2,0,0]=4 5966 B12R1.8 OCCCCSc1ncccn1 62a_100000211032_100000210776 [0,1,0,0,0,1|2,0,0]=4 5967 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,1,0,0,0,1|2,0,0]=4 5968 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,1,0,0,0,1|2,0,0]=4 5969 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,1,0,0,0,1|2,0,0]=4 5970 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,1,0,0,0,1|2,0,0]=4 5971 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,1,0,0,0,1|2,0,0]=4 5972 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,1,0,0,0,1|2,0,0]=4 5973 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,1,0,0,0,1|2,0,0]=4 5974 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,1,0,0,0,1|2,0,0]=4 5975 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,1,0,0,0,1|2,0,0]=4 5976 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,1,0,0,0,1|2,0,0]=4 5977 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,1,0,0,0,1|2,0,0]=4 5978 B12R1.8 OCCCNCc1ncccn1 270004a_100000182051_100011532527 [0,1,0,0,0,1|2,0,0]=4 5979 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,1,0,0,0,1|2,0,0]=4 5980 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,1,0,0,0,1|2,0,0]=4 5981 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,1,0,0,0,1|2,0,0]=4 5982 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,1,0,0,0,1|2,0,0]=4 5983 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,1,0,0,0,1|2,0,0]=4 5984 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,1,0,0,0,1|2,0,0]=4 5985 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,1,0,0,0,1|2,0,0]=4 5986 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,1,0,0,0,1|2,0,0]=4 5987 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,1,0,0,0,1|2,0,0]=4 5988 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,1,0,0,0,1|2,0,0]=4 5989 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [0,1,0,0,0,1|2,0,0]=4 5990 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [0,1,0,0,0,1|2,0,0]=4 5991 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,1,0,0,0,1|2,0,0]=4 5992 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,1,0,0,0,1|2,0,0]=4 5993 B12R1.8 OCCCSCc1ncccn1 62a_100000703007_100011215043 [0,1,0,0,0,1|2,0,0]=4 5994 B12R1.8 OCCCSCc1ncccn1 62a_100011215043_100000703007 [0,1,0,0,0,1|2,0,0]=4 5995 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,1,0,0,0,1|2,0,0]=4 5996 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,1,0,0,0,1|2,0,0]=4 5997 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,1,0,0,0,1|2,0,0]=4 5998 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,1,0,0,0,1|2,0,0]=4 5999 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,1,0,0,0,1|2,0,0]=4 6000 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,1,0,0,0,1|2,0,0]=4 6001 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,1,0,0,0,1|2,0,0]=4 6002 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,1,0,0,0,1|2,0,0]=4 6003 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,1,0,0,0,1|2,0,0]=4 6004 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,1,0,0,0,1|2,0,0]=4 6005 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,1,0,0,0,1|2,0,0]=4 6006 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,1,0,0,0,1|2,0,0]=4 6007 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,1,0,0,0,1|2,0,0]=4 6008 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,1,0,0,0,1|2,0,0]=4 6009 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,1,0,0,0,1|2,0,0]=4 6010 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,1,0,0,0,1|2,0,0]=4 6011 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,1,0,0,0,1|2,0,0]=4 6012 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,1,0,0,0,1|2,0,0]=4 6013 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,1,0,0,0,1|2,0,0]=4 6014 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,1,0,0,0,1|2,0,0]=4 6015 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [0,1,0,0,0,1|2,0,0]=4 6016 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [0,1,0,0,0,1|2,0,0]=4 6017 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,1,0,0,0,1|1,0,0]=3 6018 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,1,0,0,0,1|1,0,0]=3 6019 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,1,0,0,0,1|2,0,0]=4 6020 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,1,0,0,0,1|2,0,0]=4 6021 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,1,0,0,0,1|2,0,0]=4 6022 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,1,0,0,0,1|2,0,0]=4 6023 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,1,0,0,0,1|2,0,0]=4 6024 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,1,0,0,0,1|2,0,0]=4 6025 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,1,0,0,0,1|2,0,0]=4 6026 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,1,0,0,0,1|2,0,0]=4 6027 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,1,0,0,0,1|1,0,0]=3 6028 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,1,0,0,0,1|1,0,0]=3 6029 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,1,0,0,0,1|1,0,0]=3 6030 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,1,0,0,0,1|1,0,0]=3 6031 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,1,0,0,0,1|1,0,0]=3 6032 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,1,0,0,0,1|1,0,0]=3 6033 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,1|2,0,0]=4 6034 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,1,0,0,0,1|2,0,0]=4 6035 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,1,0,0,0,1|2,0,0]=4 6036 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,1,0,0,0,1|2,0,0]=4 6037 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,1,0,0,0,1|2,0,0]=4 6038 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,1,0,0,0,1|2,0,0]=4 6039 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,1,0,0,0,1|2,0,0]=4 6040 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,1,0,0,0,1|2,0,0]=4 6041 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,1,0,0,0,1|1,0,0]=3 6042 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,1,0,0,0,1|1,0,0]=3 6043 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,1,0,0,0,1|1,0,0]=3 6044 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,1,0,0,0,1|1,0,0]=3 6045 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,1,0,0,0,1|2,0,0]=4 6046 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,1,0,0,0,1|2,0,0]=4 6047 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,1,0,0,0,1|2,0,0]=4 6048 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,1,0,0,0,1|2,0,0]=4 6049 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,1,0,0,0,1|2,0,0]=4 6050 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,1,0,0,0,1|2,0,0]=4 6051 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,1,0,0,0,1|2,0,0]=4 6052 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,1,0,0,0,1|2,0,0]=4 6053 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,1,0,0,0,1|2,0,0]=4 6054 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,1,0,0,0,1|2,0,0]=4 6055 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,1|1,0,1]=4 6056 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,1|1,0,1]=4 6057 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|1,0,1]=4 6058 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|1,0,1]=4 6059 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,1|1,0,1]=4 6060 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,1|1,0,1]=4 6061 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,1|1,0,1]=4 6062 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,1|1,0,1]=4 6063 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,1,0,0,0,1|2,0,0]=4 6064 B12R1.27 CCC(C)CNc1cccnn1 27a_100020588543_100016991348 [0,1,0,0,0,1|2,0,0]=4 6065 B12R1.27 CCC(C)CNc1ccncn1 27a_100020588543_100000703185 [0,1,0,0,0,1|2,0,0]=4 6066 B12R1.27 CCC(C)CNc1cnccn1 27a_100020588543_100000211759 [0,1,0,0,0,1|2,0,0]=4 6067 B12R1.27 CCC(C)CNc1ncccn1 27a_100020588543_100000211032 [0,1,0,0,0,1|2,0,0]=4 6068 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,1|2,0,0]=4 6069 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,1|2,0,0]=4 6070 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,1,0,0,0,1|2,0,0]=4 6071 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,1,0,0,0,1|2,0,0]=4 6072 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,1,0,0,0,1|2,0,0]=4 6073 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,1,0,0,0,1|2,0,0]=4 6074 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,1,0,0,0,1|2,0,0]=4 6075 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,1,0,0,0,1|2,0,0]=4 6076 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,1,0,0,0,1|2,0,0]=4 6077 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,1,0,0,0,1|2,0,0]=4 6078 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,1,0,0,0,1|2,0,0]=4 6079 B12R1.27 CCC(C)CSc1cccnn1 62a_100000748023_100016991348 [0,1,0,0,0,1|2,0,0]=4 6080 B12R1.27 CCC(C)CSc1cccnn1 62a_100016991348_100000748023 [0,1,0,0,0,1|2,0,0]=4 6081 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,1,0,0,0,1|2,0,0]=4 6082 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,1,0,0,0,1|2,0,0]=4 6083 B12R1.27 CCC(C)CSc1ccncn1 62a_100000703185_100000748023 [0,1,0,0,0,1|2,0,0]=4 6084 B12R1.27 CCC(C)CSc1ccncn1 62a_100000748023_100000703185 [0,1,0,0,0,1|2,0,0]=4 6085 B12R1.27 CCC(C)CSc1cnccn1 62a_100000211759_100000748023 [0,1,0,0,0,1|2,0,0]=4 6086 B12R1.27 CCC(C)CSc1cnccn1 62a_100000748023_100000211759 [0,1,0,0,0,1|2,0,0]=4 6087 B12R1.27 CCC(C)CSc1ncccn1 62a_100000211032_100000748023 [0,1,0,0,0,1|2,0,0]=4 6088 B12R1.27 CCC(C)CSc1ncccn1 62a_100000748023_100000211032 [0,1,0,0,0,1|2,0,0]=4 6089 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,0,0,0,1|2,0,0]=4 6090 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,0,0,0,1|2,0,0]=4 6091 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,0,0,0,1|2,0,0]=4 6092 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,0,0,0,1|2,0,0]=4 6093 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,0,0,0,1|2,0,0]=4 6094 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,0,0,0,1|2,0,0]=4 6095 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,0,0,0,1|2,0,0]=4 6096 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,0,0,0,1|2,0,0]=4 6097 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,0,0,0,1|2,0,0]=4 6098 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,0,0,0,1|2,0,0]=4 6099 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,0,0,0,1|2,0,0]=4 6100 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,1,0,0,0,1|2,0,0]=4 6101 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,1,0,0,0,1|2,0,0]=4 6102 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,0,0,0,1|2,0,0]=4 6103 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,0,0,0,1|2,0,0]=4 6104 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,1,0,0,0,1|2,0,0]=4 6105 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,1,0,0,0,1|2,0,0]=4 6106 B12R1.27 CCC(C)NCc1ncccn1 2230a_100000209981_100000703007 [0,1,0,0,0,1|2,0,0]=4 6107 B12R1.27 CCC(C)NCc1ncccn1 270004a_100000209981_100011532527 [0,1,0,0,0,1|2,0,0]=4 6108 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,0,0,0,1|2,0,0]=4 6109 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,0,0,0,1|2,0,0]=4 6110 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,0,0,0,1|2,0,0]=4 6111 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,1,0,0,0,1|2,0,0]=4 6112 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,0,0,0,1|2,0,0]=4 6113 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,1,0,0,0,1|2,0,0]=4 6114 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,1,0,0,0,1|2,0,0]=4 6115 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,1,0,0,0,1|2,0,0]=4 6116 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,1,0,0,0,1|2,0,0]=4 6117 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,0,0,0,1|2,0,0]=4 6118 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,0,0,0,1|2,0,0]=4 6119 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,1,0,0,0,1|2,0,0]=4 6120 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,1,0,0,0,1|2,0,0]=4 6121 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,0,0,0,1|2,0,0]=4 6122 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,0,0,0,1|2,0,0]=4 6123 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,1,0,0,0,1|2,0,0]=4 6124 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,1,0,0,0,1|2,0,0]=4 6125 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,1,0,0,0,1|2,0,0]=4 6126 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,1,0,0,0,1|2,0,0]=4 6127 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,1,0,0,0,1|2,0,0]=4 6128 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,1,0,0,0,1|2,0,0]=4 6129 B12R1.27 CCC(C)SCc1ncccn1 62a_100000703007_100000758301 [0,1,0,0,0,1|2,0,0]=4 6130 B12R1.27 CCC(C)SCc1ncccn1 62a_100000758301_100000703007 [0,1,0,0,0,1|2,0,0]=4 6131 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,1|2,0,0]=4 6132 B12R1.27 CCC(O)CNc1cccnn1 27a_100011218483_100016991348 [0,1,0,0,0,1|2,0,0]=4 6133 B12R1.27 CCC(O)CNc1ccncn1 27a_100011218483_100000703185 [0,1,0,0,0,1|2,0,0]=4 6134 B12R1.27 CCC(O)CNc1cnccn1 27a_100011218483_100000211759 [0,1,0,0,0,1|2,0,0]=4 6135 B12R1.27 CCC(O)CNc1ncccn1 27a_100011218483_100000211032 [0,1,0,0,0,1|2,0,0]=4 6136 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,1|2,0,0]=4 6137 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,1|2,0,0]=4 6138 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,1,0,0,0,1|2,0,0]=4 6139 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,1,0,0,0,1|2,0,0]=4 6140 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,1,0,0,0,1|2,0,0]=4 6141 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,1|2,0,0]=4 6142 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,1|2,0,0]=4 6143 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,1,0,0,0,1|2,0,0]=4 6144 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,1,0,0,0,1|2,0,0]=4 6145 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,1,0,0,0,1|2,0,0]=4 6146 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,1,0,0,0,1|2,0,0]=4 6147 B12R1.27 CCC(O)CSc1cccnn1 62a_100011218378_100016991348 [0,1,0,0,0,1|2,0,0]=4 6148 B12R1.27 CCC(O)CSc1cccnn1 62a_100016991348_100011218378 [0,1,0,0,0,1|2,0,0]=4 6149 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,1,0,0,0,1|2,0,0]=4 6150 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,1,0,0,0,1|2,0,0]=4 6151 B12R1.27 CCC(O)CSc1ccncn1 62a_100000703185_100011218378 [0,1,0,0,0,1|2,0,0]=4 6152 B12R1.27 CCC(O)CSc1ccncn1 62a_100011218378_100000703185 [0,1,0,0,0,1|2,0,0]=4 6153 B12R1.27 CCC(O)CSc1cnccn1 62a_100000211759_100011218378 [0,1,0,0,0,1|2,0,0]=4 6154 B12R1.27 CCC(O)CSc1cnccn1 62a_100011218378_100000211759 [0,1,0,0,0,1|2,0,0]=4 6155 B12R1.27 CCC(O)CSc1ncccn1 62a_100000211032_100011218378 [0,1,0,0,0,1|2,0,0]=4 6156 B12R1.27 CCC(O)CSc1ncccn1 62a_100011218378_100000211032 [0,1,0,0,0,1|2,0,0]=4 6157 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,1,0,0,0,1|2,0,0]=4 6158 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,1,0,0,0,1|2,0,0]=4 6159 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,1,0,0,0,1|2,0,0]=4 6160 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,1,0,0,0,1|2,0,0]=4 6161 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,1,0,0,0,1|2,0,0]=4 6162 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,1,0,0,0,1|2,0,0]=4 6163 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,1,0,0,0,1|2,0,0]=4 6164 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,1,0,0,0,1|2,0,0]=4 6165 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,1,0,0,0,1|2,0,0]=4 6166 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,1,0,0,0,1|2,0,0]=4 6167 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,1,0,0,0,1|2,0,0]=4 6168 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,1,0,0,0,1|2,0,0]=4 6169 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,1,0,0,0,1|2,0,0]=4 6170 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,1,0,0,0,1|2,0,0]=4 6171 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,1,0,0,0,1|2,0,0]=4 6172 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,1,0,0,0,1|2,0,0]=4 6173 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,1,0,0,0,1|2,0,0]=4 6174 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,1,0,0,0,1|2,0,0]=4 6175 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,1,0,0,0,1|2,0,0]=4 6176 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,1,0,0,0,1|2,0,0]=4 6177 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,1,0,0,0,1|2,0,0]=4 6178 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,1,0,0,0,1|2,0,0]=4 6179 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,1,0,0,0,1|2,0,0]=4 6180 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,1,0,0,0,1|2,0,0]=4 6181 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,1,0,0,0,1|2,0,0]=4 6182 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,1|2,0,0]=4 6183 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,1|2,0,0]=4 6184 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,1,0,0,0,1|2,0,0]=4 6185 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,1,0,0,0,1|2,0,0]=4 6186 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,1,0,0,0,1|2,0,0]=4 6187 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,1,0,0,0,1|2,0,0]=4 6188 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,1,0,0,0,1|2,0,0]=4 6189 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,1,0,0,0,1|2,0,0]=4 6190 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,1,0,0,0,1|2,0,0]=4 6191 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,1,0,0,0,1|2,0,0]=4 6192 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,1,0,0,0,1|2,0,0]=4 6193 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100009816398_100016991348 [0,1,0,0,0,1|2,0,0]=4 6194 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100016991348_100009816398 [0,1,0,0,0,1|2,0,0]=4 6195 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,1,0,0,0,1|2,0,0]=4 6196 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,1,0,0,0,1|2,0,0]=4 6197 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100000703185_100009816398 [0,1,0,0,0,1|2,0,0]=4 6198 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100009816398_100000703185 [0,1,0,0,0,1|2,0,0]=4 6199 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100000211759_100009816398 [0,1,0,0,0,1|2,0,0]=4 6200 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100009816398_100000211759 [0,1,0,0,0,1|2,0,0]=4 6201 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100000211032_100009816398 [0,1,0,0,0,1|2,0,0]=4 6202 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100009816398_100000211032 [0,1,0,0,0,1|2,0,0]=4 6203 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,1,0,0,0,1|2,0,0]=4 6204 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,1,0,0,0,1|2,0,0]=4 6205 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,1,0,0,0,1|2,0,0]=4 6206 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,1|2,0,0]=4 6207 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,1|2,0,0]=4 6208 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,1|2,0,0]=4 6209 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,1|2,0,0]=4 6210 B12R1.28 CCCCNc1c[n+](ccn1)[O-] 27a_100000102301_100009880115 [0,1,0,0,0,1|2,0,0]=4 6211 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [0,1,0,0,0,1|2,0,0]=4 6212 B12R1.28 CCCCNc1cc(cnn1)C 27a_100000102301_100000070100 [0,1,0,0,0,1|2,0,0]=4 6213 B12R1.28 CCCCNc1cc(ncn1)C 27a_100000102301_100000744208 [0,1,0,0,0,1|2,0,0]=4 6214 B12R1.28 CCCCNc1cc(ncn1)F 27a_100000102301_200009880791 [0,1,0,0,0,1|2,0,0]=4 6215 B12R1.28 CCCCNc1cc(ncn1)N 27a_100000102301_100000701291 [0,1,0,0,0,1|2,0,0]=4 6216 B12R1.28 CCCCNc1cc(ncn1)O 271570a_203496583355_200011210052 [0,1,0,0,0,1|2,0,0]=4 6217 B12R1.28 CCCCNc1cc(ncn1)O 27a_100000102301_100000765262 [0,1,0,0,0,1|2,0,0]=4 6218 B12R1.28 CCCCNc1cc[nH]c(=O)c1 27a_100000102301_100000061649 [0,1,0,0,0,1|2,0,0]=4 6219 B12R1.28 CCCCNc1cc[nH]c(=O)n1 27a_100000102301_200000134032 [0,1,0,0,0,1|2,0,0]=4 6220 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,1,0,0,0,1|2,0,0]=4 6221 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,1,0,0,0,1|2,0,0]=4 6222 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,1,0,0,0,1|2,0,0]=4 6223 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,1,0,0,0,1|2,0,0]=4 6224 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,1,0,0,0,1|2,0,0]=4 6225 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,1,0,0,0,1|2,0,0]=4 6226 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,1,0,0,0,1|2,0,0]=4 6227 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [0,1,0,0,0,1|2,0,0]=4 6228 B12R1.28 CCCCNc1ccnc(c1)C 27a_100000102301_100000758586 [0,1,0,0,0,1|2,0,0]=4 6229 B12R1.28 CCCCNc1ccnc(c1)F 27a_100000102301_100009816116 [0,1,0,0,0,1|2,0,0]=4 6230 B12R1.28 CCCCNc1ccnc(n1)C 27a_100000102301_100000749937 [0,1,0,0,0,1|2,0,0]=4 6231 B12R1.28 CCCCNc1ccnc(n1)N 27a_100000102301_100000055538 [0,1,0,0,0,1|2,0,0]=4 6232 B12R1.28 CCCCNc1cncc(n1)C 27a_100000102301_100000754123 [0,1,0,0,0,1|2,0,0]=4 6233 B12R1.28 CCCCNc1cncc(n1)Cl 27a_100000102301_100010892449 [0,1,0,0,0,1|2,0,0]=4 6234 B12R1.28 CCCCNc1cncc(n1)F 27a_100000102301_200009863489 [0,1,0,0,0,1|2,0,0]=4 6235 B12R1.28 CCCCNc1cncc(n1)O 271570a_203496583355_200011210053 [0,1,0,0,0,1|2,0,0]=4 6236 B12R1.28 CCCCNc1nccc(n1)C 27a_100000102301_100000750684 [0,1,0,0,0,1|2,0,0]=4 6237 B12R1.28 CCCCNc1nccc(n1)N 27a_100000102301_100000757536 [0,1,0,0,0,1|2,0,0]=4 6238 B12R1.28 CCCCNc1nccc(n1)O 27a_100000102301_100011649813 [0,1,0,0,0,1|2,0,0]=4 6239 B12R1.28 CCCCOc1cc(cnn1)C 34a_100000766097_100000210210 [0,1,0,0,0,1|2,0,0]=4 6240 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [0,1,0,0,0,1|2,0,0]=4 6241 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210210 [0,1,0,0,0,1|2,0,0]=4 6242 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210211 [0,1,0,0,0,1|2,0,0]=4 6243 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,1,0,0,0,1|2,0,0]=4 6244 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,1,0,0,0,1|2,0,0]=4 6245 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,1,0,0,0,1|2,0,0]=4 6246 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,1,0,0,0,1|2,0,0]=4 6247 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,1,0,0,0,1|2,0,0]=4 6248 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,1,0,0,0,1|2,0,0]=4 6249 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,1,0,0,0,1|2,0,0]=4 6250 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,1,0,0,0,1|2,0,0]=4 6251 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,1,0,0,0,1|2,0,0]=4 6252 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,1,0,0,0,1|2,0,0]=4 6253 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,1,0,0,0,1|2,0,0]=4 6254 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,1,0,0,0,1|2,0,0]=4 6255 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,1,0,0,0,1|2,0,0]=4 6256 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,1,0,0,0,1|2,0,0]=4 6257 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,1,0,0,0,1|2,0,0]=4 6258 B12R1.28 CCCCOc1ccnc(c1)C 34a_100000688365_100000210210 [0,1,0,0,0,1|2,0,0]=4 6259 B12R1.28 CCCCOc1ccnc(c1)Cl 34a_100000762945_100000210210 [0,1,0,0,0,1|2,0,0]=4 6260 B12R1.28 CCCCOc1ccnc(c1)F 34a_100000732698_100000210210 [0,1,0,0,0,1|2,0,0]=4 6261 B12R1.28 CCCCOc1ccnc(c1)N 34a_100011834064_100000210210 [0,1,0,0,0,1|2,0,0]=4 6262 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [0,1,0,0,0,1|2,0,0]=4 6263 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [0,1,0,0,0,1|2,0,0]=4 6264 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [0,1,0,0,0,1|2,0,0]=4 6265 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [0,1,0,0,0,1|2,0,0]=4 6266 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [0,1,0,0,0,1|2,0,0]=4 6267 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [0,1,0,0,0,1|2,0,0]=4 6268 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [0,1,0,0,0,1|2,0,0]=4 6269 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [0,1,0,0,0,1|2,0,0]=4 6270 B12R1.28 CCCCSc1c[n+](ccn1)[O-] 62a_100000210211_100009880115 [0,1,0,0,0,1|2,0,0]=4 6271 B12R1.28 CCCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210210 [0,1,0,0,0,1|2,0,0]=4 6272 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [0,1,0,0,0,1|2,0,0]=4 6273 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [0,1,0,0,0,1|2,0,0]=4 6274 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [0,1,0,0,0,1|2,0,0]=4 6275 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [0,1,0,0,0,1|2,0,0]=4 6276 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [0,1,0,0,0,1|2,0,0]=4 6277 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [0,1,0,0,0,1|2,0,0]=4 6278 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [0,1,0,0,0,1|2,0,0]=4 6279 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [0,1,0,0,0,1|2,0,0]=4 6280 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [0,1,0,0,0,1|2,0,0]=4 6281 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [0,1,0,0,0,1|2,0,0]=4 6282 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000070100_100000210210 [0,1,0,0,0,1|2,0,0]=4 6283 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000210211_100000070100 [0,1,0,0,0,1|2,0,0]=4 6284 B12R1.28 CCCCSc1cc(cnn1)N 62a_100000210211_100011996757 [0,1,0,0,0,1|2,0,0]=4 6285 B12R1.28 CCCCSc1cc(cnn1)N 62a_100011996757_100000210210 [0,1,0,0,0,1|2,0,0]=4 6286 B12R1.28 CCCCSc1cc(cnn1)O 62a_100000210211_200010734679 [0,1,0,0,0,1|2,0,0]=4 6287 B12R1.28 CCCCSc1cc(ncn1)C 62a_100000210211_100000744208 [0,1,0,0,0,1|2,0,0]=4 6288 B12R1.28 CCCCSc1cc(ncn1)C 62a_100000744208_100000210210 [0,1,0,0,0,1|2,0,0]=4 6289 B12R1.28 CCCCSc1cc(ncn1)Cl 62a_100000210211_100010161198 [0,1,0,0,0,1|2,0,0]=4 6290 B12R1.28 CCCCSc1cc(ncn1)Cl 62a_100010161198_100000210210 [0,1,0,0,0,1|2,0,0]=4 6291 B12R1.28 CCCCSc1cc(ncn1)F 62a_100000210211_200009880791 [0,1,0,0,0,1|2,0,0]=4 6292 B12R1.28 CCCCSc1cc(ncn1)F 62a_200009880791_100000210210 [0,1,0,0,0,1|2,0,0]=4 6293 B12R1.28 CCCCSc1cc(ncn1)N 62a_100000210211_100000701291 [0,1,0,0,0,1|2,0,0]=4 6294 B12R1.28 CCCCSc1cc(ncn1)N 62a_100000701291_100000210210 [0,1,0,0,0,1|2,0,0]=4 6295 B12R1.28 CCCCSc1cc(ncn1)O 62a_100000210211_100000765262 [0,1,0,0,0,1|2,0,0]=4 6296 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100000210211_100009816521 [0,1,0,0,0,1|2,0,0]=4 6297 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210210 [0,1,0,0,0,1|2,0,0]=4 6298 B12R1.28 CCCCSc1cc[nH]c(=O)n1 62a_100000210211_200000134032 [0,1,0,0,0,1|2,0,0]=4 6299 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100000210211_100009996589 [0,1,0,0,0,1|2,0,0]=4 6300 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100009996589_100000210210 [0,1,0,0,0,1|2,0,0]=4 6301 B12R1.28 CCCCSc1ccc[n+](c1)[O-] 62a_100000210211_100009815978 [0,1,0,0,0,1|2,0,0]=4 6302 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [0,1,0,0,0,1|2,0,0]=4 6303 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,1,0,0,0,1|2,0,0]=4 6304 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,1,0,0,0,1|2,0,0]=4 6305 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,1,0,0,0,1|2,0,0]=4 6306 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,1,0,0,0,1|2,0,0]=4 6307 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,1,0,0,0,1|2,0,0]=4 6308 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,1,0,0,0,1|2,0,0]=4 6309 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,1,0,0,0,1|2,0,0]=4 6310 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,1,0,0,0,1|2,0,0]=4 6311 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,1,0,0,0,1|2,0,0]=4 6312 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,1,0,0,0,1|2,0,0]=4 6313 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,1,0,0,0,1|2,0,0]=4 6314 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,1,0,0,0,1|2,0,0]=4 6315 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,1,0,0,0,1|2,0,0]=4 6316 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,1,0,0,0,1|2,0,0]=4 6317 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [0,1,0,0,0,1|2,0,0]=4 6318 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [0,1,0,0,0,1|2,0,0]=4 6319 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [0,1,0,0,0,1|2,0,0]=4 6320 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [0,1,0,0,0,1|2,0,0]=4 6321 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [0,1,0,0,0,1|2,0,0]=4 6322 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [0,1,0,0,0,1|2,0,0]=4 6323 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [0,1,0,0,0,1|2,0,0]=4 6324 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [0,1,0,0,0,1|2,0,0]=4 6325 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [0,1,0,0,0,1|2,0,0]=4 6326 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [0,1,0,0,0,1|2,0,0]=4 6327 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100000210211_100009814637 [0,1,0,0,0,1|2,0,0]=4 6328 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100009814637_100000210210 [0,1,0,0,0,1|2,0,0]=4 6329 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000210211_100000758586 [0,1,0,0,0,1|2,0,0]=4 6330 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000758586_100000210210 [0,1,0,0,0,1|2,0,0]=4 6331 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000035001_100000210210 [0,1,0,0,0,1|2,0,0]=4 6332 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000210211_100000035001 [0,1,0,0,0,1|2,0,0]=4 6333 B12R1.28 CCCCSc1ccnc(c1)F 62a_100000210211_100009816116 [0,1,0,0,0,1|2,0,0]=4 6334 B12R1.28 CCCCSc1ccnc(c1)F 62a_100009816116_100000210210 [0,1,0,0,0,1|2,0,0]=4 6335 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000049665_100000210210 [0,1,0,0,0,1|2,0,0]=4 6336 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000210211_100000049665 [0,1,0,0,0,1|2,0,0]=4 6337 B12R1.28 CCCCSc1ccnc(n1)C 62a_100000210211_100000749937 [0,1,0,0,0,1|2,0,0]=4 6338 B12R1.28 CCCCSc1ccnc(n1)C 62a_100000749937_100000210210 [0,1,0,0,0,1|2,0,0]=4 6339 B12R1.28 CCCCSc1ccnc(n1)Cl 62a_100000210211_100010154678 [0,1,0,0,0,1|2,0,0]=4 6340 B12R1.28 CCCCSc1ccnc(n1)Cl 62a_100010154678_100000210210 [0,1,0,0,0,1|2,0,0]=4 6341 B12R1.28 CCCCSc1ccnc(n1)N 62a_100000055538_100000210210 [0,1,0,0,0,1|2,0,0]=4 6342 B12R1.28 CCCCSc1ccnc(n1)N 62a_100000210211_100000055538 [0,1,0,0,0,1|2,0,0]=4 6343 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000210211_100000728054 [0,1,0,0,0,1|2,0,0]=4 6344 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000728054_100000210210 [0,1,0,0,0,1|2,0,0]=4 6345 B12R1.28 CCCCSc1cncc(c1)C 62a_100000210211_100000760492 [0,1,0,0,0,1|2,0,0]=4 6346 B12R1.28 CCCCSc1cncc(c1)C 62a_100000760492_100000210210 [0,1,0,0,0,1|2,0,0]=4 6347 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000049639_100000210210 [0,1,0,0,0,1|2,0,0]=4 6348 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000210211_100000049639 [0,1,0,0,0,1|2,0,0]=4 6349 B12R1.28 CCCCSc1cncc(c1)F 62a_100000210211_100000744099 [0,1,0,0,0,1|2,0,0]=4 6350 B12R1.28 CCCCSc1cncc(c1)F 62a_100000744099_100000210210 [0,1,0,0,0,1|2,0,0]=4 6351 B12R1.28 CCCCSc1cncc(c1)N 62a_100000210211_100000687067 [0,1,0,0,0,1|2,0,0]=4 6352 B12R1.28 CCCCSc1cncc(c1)N 62a_100000687067_100000210210 [0,1,0,0,0,1|2,0,0]=4 6353 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [0,1,0,0,0,1|2,0,0]=4 6354 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [0,1,0,0,0,1|2,0,0]=4 6355 B12R1.28 CCCCSc1cncc(n1)C 62a_100000210211_100000754123 [0,1,0,0,0,1|2,0,0]=4 6356 B12R1.28 CCCCSc1cncc(n1)C 62a_100000754123_100000210210 [0,1,0,0,0,1|2,0,0]=4 6357 B12R1.28 CCCCSc1cncc(n1)Cl 62a_100000210211_100010892449 [0,1,0,0,0,1|2,0,0]=4 6358 B12R1.28 CCCCSc1cncc(n1)Cl 62a_100010892449_100000210210 [0,1,0,0,0,1|2,0,0]=4 6359 B12R1.28 CCCCSc1cncc(n1)F 62a_100000210211_200009863489 [0,1,0,0,0,1|2,0,0]=4 6360 B12R1.28 CCCCSc1cncc(n1)F 62a_200009863489_100000210210 [0,1,0,0,0,1|2,0,0]=4 6361 B12R1.28 CCCCSc1cncc(n1)N 62a_100000210211_100000747728 [0,1,0,0,0,1|2,0,0]=4 6362 B12R1.28 CCCCSc1cncc(n1)N 62a_100000747728_100000210210 [0,1,0,0,0,1|2,0,0]=4 6363 B12R1.28 CCCCSc1cncc(n1)O 62a_100000210211_100011269956 [0,1,0,0,0,1|2,0,0]=4 6364 B12R1.28 CCCCSc1nccc(n1)C 62a_100000210211_100011243806 [0,1,0,0,0,1|2,0,0]=4 6365 B12R1.28 CCCCSc1nccc(n1)C 62a_100011243806_100000210210 [0,1,0,0,0,1|2,0,0]=4 6366 B12R1.28 CCCCSc1nccc(n1)N 62a_100000210211_100000757536 [0,1,0,0,0,1|2,0,0]=4 6367 B12R1.28 CCCCSc1nccc(n1)N 62a_100000757536_100000210210 [0,1,0,0,0,1|2,0,0]=4 6368 B12R1.28 CCCCSc1nccc(n1)O 62a_100000210211_100011649813 [0,1,0,0,0,1|2,0,0]=4 6369 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,1,0,0,0,1|2,0,0]=4 6370 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,1,0,0,0,1|2,0,0]=4 6371 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,1,0,0,0,1|2,0,0]=4 6372 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,1,0,0,0,1|2,0,0]=4 6373 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,1,0,0,0,1|2,0,0]=4 6374 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,1,0,0,0,1|2,0,0]=4 6375 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,1,0,0,0,1|2,0,0]=4 6376 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,1,0,0,0,1|2,0,0]=4 6377 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,1,0,0,0,1|2,0,0]=4 6378 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,1,0,0,0,1|2,0,0]=4 6379 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,1,0,0,0,1|2,0,0]=4 6380 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,1,0,0,0,1|2,0,0]=4 6381 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,1,0,0,0,1|2,0,0]=4 6382 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,1,0,0,0,1|2,0,0]=4 6383 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,1,0,0,0,1|2,0,0]=4 6384 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,1,0,0,0,1|2,0,0]=4 6385 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,1,0,0,0,1|2,0,0]=4 6386 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,1,0,0,0,1|2,0,0]=4 6387 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,1,0,0,0,1|2,0,0]=4 6388 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,1,0,0,0,1|2,0,0]=4 6389 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,1,0,0,0,1|2,0,0]=4 6390 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,1,0,0,0,1|2,0,0]=4 6391 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,1,0,0,0,1|2,0,0]=4 6392 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,1,0,0,0,1|2,0,0]=4 6393 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,1,0,0,0,1|2,0,0]=4 6394 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,1,0,0,0,1|2,0,0]=4 6395 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,1,0,0,0,1|2,0,0]=4 6396 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,1,0,0,0,1|2,0,0]=4 6397 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,1,0,0,0,1|2,0,0]=4 6398 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,1,0,0,0,1|2,0,0]=4 6399 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,1,0,0,0,1|2,0,0]=4 6400 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,1,0,0,0,1|2,0,0]=4 6401 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,1,0,0,0,1|2,0,0]=4 6402 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,1,0,0,0,1|2,0,0]=4 6403 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,1,0,0,0,1|2,0,0]=4 6404 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,1,0,0,0,1|2,0,0]=4 6405 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,1,0,0,0,1|2,0,0]=4 6406 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,1,0,0,0,1|2,0,0]=4 6407 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,1,0,0,0,1|2,0,0]=4 6408 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,1,0,0,0,1|2,0,0]=4 6409 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,1,0,0,0,1|2,0,0]=4 6410 B12R1.28 CCCNCc1ccnc(c1)Br 2230a_100025757509_100000210303 [0,1,0,0,0,1|2,0,0]=4 6411 B12R1.28 CCCNCc1ccnc(c1)Br 270004a_100020643023_100009814634 [0,1,0,0,0,1|2,0,0]=4 6412 B12R1.28 CCCNCc1ccnc(c1)Br 34a_100025757509_100000210303 [0,1,0,0,0,1|2,0,0]=4 6413 B12R1.28 CCCNCc1ccnc(c1)C 207a_100020643023_100011361630 [0,1,0,0,0,1|2,0,0]=4 6414 B12R1.28 CCCNCc1ccnc(c1)C 270004a_100020643023_100011361630 [0,1,0,0,0,1|2,0,0]=4 6415 B12R1.28 CCCNCc1ccnc(c1)C 34a_100011934566_100000210303 [0,1,0,0,0,1|2,0,0]=4 6416 B12R1.28 CCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210303 [0,1,0,0,0,1|2,0,0]=4 6417 B12R1.28 CCCNCc1ccnc(c1)Cl 270004a_100020643023_100011290808 [0,1,0,0,0,1|2,0,0]=4 6418 B12R1.28 CCCNCc1ccnc(c1)Cl 34a_100015205668_100000210303 [0,1,0,0,0,1|2,0,0]=4 6419 B12R1.28 CCCNCc1ccnc(c1)F 2230a_100015188774_100000210303 [0,1,0,0,0,1|2,0,0]=4 6420 B12R1.28 CCCNCc1ccnc(c1)F 270004a_100020643023_100000068331 [0,1,0,0,0,1|2,0,0]=4 6421 B12R1.28 CCCNCc1ccnc(c1)F 34a_100015188774_100000210303 [0,1,0,0,0,1|2,0,0]=4 6422 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [0,1,0,0,0,1|2,0,0]=4 6423 B12R1.28 CCCNCc1ccnc(n1)C 270004a_100020643023_100011361539 [0,1,0,0,0,1|2,0,0]=4 6424 B12R1.28 CCCNCc1cncc(c1)Br 207a_100020643023_100000687066 [0,1,0,0,0,1|2,0,0]=4 6425 B12R1.28 CCCNCc1cncc(c1)Br 270004a_100020643023_100000687066 [0,1,0,0,0,1|2,0,0]=4 6426 B12R1.28 CCCNCc1cncc(c1)C 207a_100020643023_100011998712 [0,1,0,0,0,1|2,0,0]=4 6427 B12R1.28 CCCNCc1cncc(c1)C 2230a_100000692839_100000210303 [0,1,0,0,0,1|2,0,0]=4 6428 B12R1.28 CCCNCc1cncc(c1)C 270004a_100020643023_100011998712 [0,1,0,0,0,1|2,0,0]=4 6429 B12R1.28 CCCNCc1cncc(c1)C 34a_100000692839_100000210303 [0,1,0,0,0,1|2,0,0]=4 6430 B12R1.28 CCCNCc1cncc(c1)Cl 207a_100020643023_100000088910 [0,1,0,0,0,1|2,0,0]=4 6431 B12R1.28 CCCNCc1cncc(c1)Cl 2230a_200020614424_100000210303 [0,1,0,0,0,1|2,0,0]=4 6432 B12R1.28 CCCNCc1cncc(c1)Cl 270004a_100020643023_100000088910 [0,1,0,0,0,1|2,0,0]=4 6433 B12R1.28 CCCNCc1cncc(c1)F 207a_100020643023_100011361476 [0,1,0,0,0,1|2,0,0]=4 6434 B12R1.28 CCCNCc1cncc(c1)F 2230a_100011962886_100000210303 [0,1,0,0,0,1|2,0,0]=4 6435 B12R1.28 CCCNCc1cncc(c1)F 270004a_100020643023_100011361476 [0,1,0,0,0,1|2,0,0]=4 6436 B12R1.28 CCCNCc1cncc(c1)F 34a_100011962886_100000210303 [0,1,0,0,0,1|2,0,0]=4 6437 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [0,1,0,0,0,1|2,0,0]=4 6438 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [0,1,0,0,0,1|2,0,0]=4 6439 B12R1.28 CCCNCc1cncc(n1)C 207a_100020643023_100000100294 [0,1,0,0,0,1|2,0,0]=4 6440 B12R1.28 CCCNCc1cncc(n1)C 270004a_100020643023_100000100294 [0,1,0,0,0,1|2,0,0]=4 6441 B12R1.28 CCCNCc1nccc(n1)C 2230a_100015186494_100000210303 [0,1,0,0,0,1|2,0,0]=4 6442 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,1,0,0,0,1|2,0,0]=4 6443 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,1,0,0,0,1|2,0,0]=4 6444 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,1,0,0,0,1|2,0,0]=4 6445 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,1,0,0,0,1|2,0,0]=4 6446 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,1,0,0,0,1|2,0,0]=4 6447 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,1,0,0,0,1|2,0,0]=4 6448 B12R1.28 CCCOCc1cc(cnn1)C 34a_100016212594_100000210303 [0,1,0,0,0,1|2,0,0]=4 6449 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [0,1,0,0,0,1|2,0,0]=4 6450 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [0,1,0,0,0,1|2,0,0]=4 6451 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,1,0,0,0,1|2,0,0]=4 6452 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,1,0,0,0,1|2,0,0]=4 6453 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,1,0,0,0,1|2,0,0]=4 6454 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,1,0,0,0,1|2,0,0]=4 6455 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,1,0,0,0,1|2,0,0]=4 6456 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,1,0,0,0,1|2,0,0]=4 6457 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,1,0,0,0,1|2,0,0]=4 6458 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,1,0,0,0,1|2,0,0]=4 6459 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,1,0,0,0,1|2,0,0]=4 6460 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,1,0,0,0,1|2,0,0]=4 6461 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,1,0,0,0,1|2,0,0]=4 6462 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,1,0,0,0,1|2,0,0]=4 6463 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,1,0,0,0,1|2,0,0]=4 6464 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,1,0,0,0,1|2,0,0]=4 6465 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,1,0,0,0,1|2,0,0]=4 6466 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,1,0,0,0,1|2,0,0]=4 6467 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,1,0,0,0,1|2,0,0]=4 6468 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,1,0,0,0,1|2,0,0]=4 6469 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,1,0,0,0,1|2,0,0]=4 6470 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,1,0,0,0,1|2,0,0]=4 6471 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,1,0,0,0,1|2,0,0]=4 6472 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,1,0,0,0,1|2,0,0]=4 6473 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,1,0,0,0,1|2,0,0]=4 6474 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,1,0,0,0,1|2,0,0]=4 6475 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,1,0,0,0,1|2,0,0]=4 6476 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [0,1,0,0,0,1|2,0,0]=4 6477 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [0,1,0,0,0,1|2,0,0]=4 6478 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [0,1,0,0,0,1|2,0,0]=4 6479 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [0,1,0,0,0,1|2,0,0]=4 6480 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [0,1,0,0,0,1|2,0,0]=4 6481 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [0,1,0,0,0,1|2,0,0]=4 6482 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [0,1,0,0,0,1|2,0,0]=4 6483 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [0,1,0,0,0,1|2,0,0]=4 6484 B12R1.28 CCCOCc1ccnc(n1)Cl 34a_100000210258_100000099655 [0,1,0,0,0,1|2,0,0]=4 6485 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [0,1,0,0,0,1|2,0,0]=4 6486 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [0,1,0,0,0,1|2,0,0]=4 6487 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [0,1,0,0,0,1|2,0,0]=4 6488 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [0,1,0,0,0,1|2,0,0]=4 6489 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [0,1,0,0,0,1|2,0,0]=4 6490 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [0,1,0,0,0,1|2,0,0]=4 6491 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [0,1,0,0,0,1|2,0,0]=4 6492 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [0,1,0,0,0,1|2,0,0]=4 6493 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [0,1,0,0,0,1|2,0,0]=4 6494 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [0,1,0,0,0,1|2,0,0]=4 6495 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [0,1,0,0,0,1|2,0,0]=4 6496 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [0,1,0,0,0,1|2,0,0]=4 6497 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [0,1,0,0,0,1|2,0,0]=4 6498 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [0,1,0,0,0,1|2,0,0]=4 6499 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [0,1,0,0,0,1|2,0,0]=4 6500 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [0,1,0,0,0,1|2,0,0]=4 6501 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [0,1,0,0,0,1|2,0,0]=4 6502 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [0,1,0,0,0,1|2,0,0]=4 6503 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [0,1,0,0,0,1|2,0,0]=4 6504 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,1,0,0,0,1|2,0,0]=4 6505 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,1,0,0,0,1|2,0,0]=4 6506 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,1,0,0,0,1|2,0,0]=4 6507 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,1,0,0,0,1|2,0,0]=4 6508 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,1,0,0,0,1|2,0,0]=4 6509 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,1,0,0,0,1|2,0,0]=4 6510 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,1,0,0,0,1|2,0,0]=4 6511 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,1,0,0,0,1|2,0,0]=4 6512 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,1,0,0,0,1|2,0,0]=4 6513 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,1,0,0,0,1|2,0,0]=4 6514 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,1,0,0,0,1|2,0,0]=4 6515 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,1,0,0,0,1|2,0,0]=4 6516 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [0,1,0,0,0,1|2,0,0]=4 6517 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [0,1,0,0,0,1|2,0,0]=4 6518 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [0,1,0,0,0,1|2,0,0]=4 6519 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [0,1,0,0,0,1|2,0,0]=4 6520 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [0,1,0,0,0,1|2,0,0]=4 6521 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [0,1,0,0,0,1|2,0,0]=4 6522 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [0,1,0,0,0,1|2,0,0]=4 6523 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [0,1,0,0,0,1|2,0,0]=4 6524 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100000210303_100010243470 [0,1,0,0,0,1|2,0,0]=4 6525 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100010254460_100000210303 [0,1,0,0,0,1|2,0,0]=4 6526 B12R1.28 CCCSCc1ccnc(c1)C 62a_100000210303_200020672517 [0,1,0,0,0,1|2,0,0]=4 6527 B12R1.28 CCCSCc1ccnc(c1)C 62a_200020672517_100000210303 [0,1,0,0,0,1|2,0,0]=4 6528 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000210303_100000764220 [0,1,0,0,0,1|2,0,0]=4 6529 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000764220_100000210303 [0,1,0,0,0,1|2,0,0]=4 6530 B12R1.28 CCCSCc1ccnc(n1)Cl 62a_100000099655_100000210303 [0,1,0,0,0,1|2,0,0]=4 6531 B12R1.28 CCCSCc1ccnc(n1)Cl 62a_100000210303_100000099655 [0,1,0,0,0,1|2,0,0]=4 6532 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000210303_100000738771 [0,1,0,0,0,1|2,0,0]=4 6533 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000738771_100000210303 [0,1,0,0,0,1|2,0,0]=4 6534 B12R1.28 CCCSCc1cncc(c1)C 62a_100000210303_100000716715 [0,1,0,0,0,1|2,0,0]=4 6535 B12R1.28 CCCSCc1cncc(c1)C 62a_100000716715_100000210303 [0,1,0,0,0,1|2,0,0]=4 6536 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100000210303_100016992070 [0,1,0,0,0,1|2,0,0]=4 6537 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100016992070_100000210303 [0,1,0,0,0,1|2,0,0]=4 6538 B12R1.28 CCCSCc1cncc(c1)F 62a_100000210303_100000725299 [0,1,0,0,0,1|2,0,0]=4 6539 B12R1.28 CCCSCc1cncc(c1)F 62a_100000725299_100000210303 [0,1,0,0,0,1|2,0,0]=4 6540 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,1,0,0,0,1|2,0,0]=4 6541 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,1,0,0,0,1|2,0,0]=4 6542 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,1,0,0,0,1|2,0,0]=4 6543 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,1,0,0,0,1|2,0,0]=4 6544 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,1,0,0,0,1|2,0,0]=4 6545 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,1,0,0,0,1|2,0,0]=4 6546 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,1,0,0,0,1|2,0,0]=4 6547 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,1,0,0,0,1|2,0,0]=4 6548 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,1,0,0,0,1|2,0,0]=4 6549 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,1,0,0,0,1|2,0,0]=4 6550 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,1,0,0,0,1|2,0,0]=4 6551 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,1,0,0,0,1|2,0,0]=4 6552 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,1,0,0,0,1|2,0,0]=4 6553 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,1,0,0,0,1|2,0,0]=4 6554 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,1,0,0,0,1|2,0,0]=4 6555 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,1,0,0,0,1|2,0,0]=4 6556 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,1,0,0,0,1|2,0,0]=4 6557 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,1,0,0,0,1|2,0,0]=4 6558 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,1,0,0,0,1|2,0,0]=4 6559 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,1,0,0,0,1|2,0,0]=4 6560 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,1,0,0,0,1|2,0,0]=4 6561 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,1,0,0,0,1|2,0,0]=4 6562 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,1,0,0,0,1|2,0,0]=4 6563 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,1,0,0,0,1|2,0,0]=4 6564 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,1,0,0,0,1|2,0,0]=4 6565 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,1,0,0,0,1|2,0,0]=4 6566 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,1,0,0,0,1|2,0,0]=4 6567 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,1,0,0,0,1|2,0,0]=4 6568 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,1,0,0,0,1|2,0,0]=4 6569 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [0,1,0,0,0,1|2,0,0]=4 6570 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [0,1,0,0,0,1|2,0,0]=4 6571 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,1,0,0,0,1|2,0,0]=4 6572 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,1,0,0,0,1|2,0,0]=4 6573 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,1,0,0,0,1|2,0,0]=4 6574 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,1,0,0,0,1|2,0,0]=4 6575 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,1,0,0,0,1|2,0,0]=4 6576 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,1,0,0,0,1|2,0,0]=4 6577 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,1,0,0,0,1|2,0,0]=4 6578 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,1,0,0,0,1|2,0,0]=4 6579 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,1,0,0,0,1|2,0,0]=4 6580 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,1,0,0,0,1|2,0,0]=4 6581 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,1,0,0,0,1|2,0,0]=4 6582 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,1,0,0,0,1|2,0,0]=4 6583 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,1,0,0,0,1|2,0,0]=4 6584 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,1,0,0,0,1|2,0,0]=4 6585 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,1,0,0,0,1|2,0,0]=4 6586 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,1,0,0,0,1|2,0,0]=4 6587 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,1,0,0,0,1|2,0,0]=4 6588 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,1,0,0,0,1|2,0,0]=4 6589 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,1,0,0,0,1|2,0,0]=4 6590 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,1,0,0,0,1|2,0,0]=4 6591 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,1,0,0,0,1|2,0,0]=4 6592 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,1,0,0,0,1|2,0,0]=4 6593 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,1,0,0,0,1|2,0,0]=4 6594 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,1,0,0,0,1|2,0,0]=4 6595 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,1,0,0,0,1|2,0,0]=4 6596 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,1,0,0,0,1|2,0,0]=4 6597 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,1,0,0,0,1|2,0,0]=4 6598 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,1,0,0,0,1|2,0,0]=4 6599 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,1,0,0,0,1|2,0,0]=4 6600 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,1,0,0,0,1|2,0,0]=4 6601 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,1,0,0,0,1|2,0,0]=4 6602 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,1,0,0,0,1|2,0,0]=4 6603 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,1,0,0,0,1|2,0,0]=4 6604 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,1,0,0,0,1|2,0,0]=4 6605 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,1,0,0,0,1|2,0,0]=4 6606 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,1,0,0,0,1|2,0,0]=4 6607 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,1,0,0,0,1|2,0,0]=4 6608 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,1,0,0,0,1|2,0,0]=4 6609 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,1,0,0,0,1|2,0,0]=4 6610 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,1,0,0,0,1|2,0,0]=4 6611 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,1,0,0,0,1|2,0,0]=4 6612 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,1,0,0,0,1|2,0,0]=4 6613 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,1,0,0,0,1|2,0,0]=4 6614 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,1,0,0,0,1|2,0,0]=4 6615 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,1,0,0,0,1|2,0,0]=4 6616 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,1,0,0,0,1|2,0,0]=4 6617 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,1,0,0,0,1|2,0,0]=4 6618 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,1,0,0,0,1|2,0,0]=4 6619 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,1,0,0,0,1|2,0,0]=4 6620 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,1,0,0,0,1|2,0,0]=4 6621 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,1,0,0,0,1|2,0,0]=4 6622 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,1,0,0,0,1|2,0,0]=4 6623 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,1,0,0,0,1|2,0,0]=4 6624 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,1,0,0,0,1|2,0,0]=4 6625 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,1|1,0,1]=4 6626 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,0,0,1|2,0,0]=4 6627 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,0,0,1|2,0,0]=4 6628 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,0,0,1|2,0,0]=4 6629 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,0,0,1|2,0,0]=4 6630 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,0,0,1|2,0,0]=4 6631 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,0,0,1|2,0,0]=4 6632 B12R1.30 CCCCN(C)c1cccnn1 27a_100000207549_100016991348 [0,1,0,0,0,1|2,0,0]=4 6633 B12R1.30 CCCCN(C)c1ccncn1 27a_100000207549_100000703185 [0,1,0,0,0,1|2,0,0]=4 6634 B12R1.30 CCCCN(C)c1cnccn1 27a_100000207549_100000211759 [0,1,0,0,0,1|2,0,0]=4 6635 B12R1.30 CCCCN(C)c1ncccn1 27a_100000207549_100000211032 [0,1,0,0,0,1|2,0,0]=4 6636 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,0,0,1|2,0,0]=4 6637 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,0,0,1|2,0,0]=4 6638 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,0,0,1|2,0,0]=4 6639 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,0,0,1|2,0,0]=4 6640 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,0,0,0,1|2,0,0]=4 6641 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,0,0,0,1|2,0,0]=4 6642 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,1,0,0,0,1|2,0,0]=4 6643 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,1,0,0,0,1|2,0,0]=4 6644 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [0,1,0,0,0,1|2,0,0]=4 6645 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,1,0,0,0,1|2,0,0]=4 6646 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,1,0,0,0,1|2,0,0]=4 6647 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [0,1,0,0,0,1|2,0,0]=4 6648 B12R1.30 CCCNC(C)c1ncccn1 2230a_100020641698_100000210303 [0,1,0,0,0,1|2,0,0]=4 6649 B12R1.30 CCCNC(C)c1ncccn1 270004a_100020643023_100011350828 [0,1,0,0,0,1|2,0,0]=4 6650 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,0,0,1|2,0,0]=4 6651 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [0,1,0,0,0,1|2,0,0]=4 6652 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,0,0,1|2,0,0]=4 6653 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,0,0,1|2,0,0]=4 6654 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,0,0,1|2,0,0]=4 6655 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,0,0,1|2,0,0]=4 6656 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,0,0,1|2,0,0]=4 6657 B12R1.30 CCCSC(C)c1cnccn1 62a_100000210303_200000703233 [0,1,0,0,0,1|2,0,0]=4 6658 B12R1.30 CCCSC(C)c1cnccn1 62a_200000703233_100000210303 [0,1,0,0,0,1|2,0,0]=4 6659 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,0,0,1|2,0,0]=4 6660 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,0,0,1|2,0,0]=4 6661 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,0,0,1|2,0,0]=4 6662 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,0,0,1|2,0,0]=4 6663 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,0,0,1|2,0,0]=4 6664 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,0,0,1|2,0,0]=4 6665 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,1,0,0,0,1|2,0,0]=4 6666 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,1,0,0,0,1|2,0,0]=4 6667 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,0,0,1|2,0,0]=4 6668 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,0,0,1|2,0,0]=4 6669 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,0,0,1|2,0,0]=4 6670 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,0,0,1|2,0,0]=4 6671 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,0,0,1|2,0,0]=4 6672 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,1|2,0,0]=4 6673 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,0,0,0,1|2,0,0]=4 6674 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,0,0,1|2,0,0]=4 6675 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,0,0,1|2,0,0]=4 6676 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,0,0,1|2,0,0]=4 6677 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,0,0,1|2,0,0]=4 6678 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,0,0,1|2,0,0]=4 6679 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,0,0,1|2,0,0]=4 6680 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,0,0,1|2,0,0]=4 6681 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,0,0,1|2,0,0]=4 6682 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,0,0,1|2,0,0]=4 6683 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,0,0,1|2,0,0]=4 6684 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,0,0,1|2,0,0]=4 6685 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,0,0,1|2,0,0]=4 6686 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,0,0,1|2,0,0]=4 6687 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,0,0,1|2,0,0]=4 6688 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,0,0,1|2,0,0]=4 6689 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,0,0,1|2,0,0]=4 6690 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,0,0,1|2,0,0]=4 6691 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,0,0,1|2,0,0]=4 6692 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,0,0,1|2,0,0]=4 6693 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,0,0,1|2,0,0]=4 6694 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,1|2,0,0]=4 6695 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,1|2,0,0]=4 6696 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,1|1,0,1]=4 6697 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,1,0,0,0,1|1,0,1]=4 6698 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,1,0,0,0,1|1,0,1]=4 6699 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,0,0,0,1|1,0,1]=4 6700 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,0,0,0,1|1,0,1]=4 6701 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,1,0,0,0,1|1,0,1]=4 6702 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,1,0,0,0,1|1,0,1]=4 6703 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,1,0,0,0,1|1,0,1]=4 6704 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,1,0,0,0,1|1,0,1]=4 6705 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,0,0,1|2,0,0]=4 6706 B12R1.32 CCCC(C)Nc1cccnn1 27a_100000741246_100016991348 [0,1,0,0,0,1|2,0,0]=4 6707 B12R1.32 CCCC(C)Nc1ccncn1 27a_100000741246_100000703185 [0,1,0,0,0,1|2,0,0]=4 6708 B12R1.32 CCCC(C)Nc1cnccn1 27a_100000741246_100000211759 [0,1,0,0,0,1|2,0,0]=4 6709 B12R1.32 CCCC(C)Nc1ncccn1 27a_100000741246_100000211032 [0,1,0,0,0,1|2,0,0]=4 6710 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,0,0,1|2,0,0]=4 6711 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,0,0,1|2,0,0]=4 6712 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,1,0,0,0,1|2,0,0]=4 6713 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,1,0,0,0,1|2,0,0]=4 6714 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,1,0,0,0,1|2,0,0]=4 6715 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,0,0,1|2,0,0]=4 6716 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,0,0,1|2,0,0]=4 6717 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,1,0,0,0,1|2,0,0]=4 6718 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,1,0,0,0,1|2,0,0]=4 6719 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,1,0,0,0,1|2,0,0]=4 6720 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,1,0,0,0,1|2,0,0]=4 6721 B12R1.32 CCCC(C)Sc1cccnn1 62a_100000766640_100016991348 [0,1,0,0,0,1|2,0,0]=4 6722 B12R1.32 CCCC(C)Sc1cccnn1 62a_100016991348_100000766640 [0,1,0,0,0,1|2,0,0]=4 6723 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,1,0,0,0,1|2,0,0]=4 6724 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,1,0,0,0,1|2,0,0]=4 6725 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000703185_100000766640 [0,1,0,0,0,1|2,0,0]=4 6726 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000766640_100000703185 [0,1,0,0,0,1|2,0,0]=4 6727 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000211759_100000766640 [0,1,0,0,0,1|2,0,0]=4 6728 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000766640_100000211759 [0,1,0,0,0,1|2,0,0]=4 6729 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000211032_100000766640 [0,1,0,0,0,1|2,0,0]=4 6730 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000766640_100000211032 [0,1,0,0,0,1|2,0,0]=4 6731 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,0,0,1|2,0,0]=4 6732 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,0,0,1|2,0,0]=4 6733 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,0,0,1|2,0,0]=4 6734 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,0,0,1|2,0,0]=4 6735 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,0,0,1|2,0,0]=4 6736 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,0,0,1|2,0,0]=4 6737 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,0,0,1|2,0,0]=4 6738 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,1,0,0,0,1|2,0,0]=4 6739 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,1,0,0,0,1|2,0,0]=4 6740 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,1,0,0,0,1|2,0,0]=4 6741 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,1,0,0,0,1|2,0,0]=4 6742 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,1,0,0,0,1|2,0,0]=4 6743 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,1,0,0,0,1|2,0,0]=4 6744 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,1,0,0,0,1|2,0,0]=4 6745 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,1,0,0,0,1|2,0,0]=4 6746 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,1,0,0,0,1|2,0,0]=4 6747 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,1,0,0,0,1|2,0,0]=4 6748 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,1,0,0,0,1|2,0,0]=4 6749 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,1,0,0,0,1|2,0,0]=4 6750 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,1,0,0,0,1|2,0,0]=4 6751 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,1,0,0,0,1|2,0,0]=4 6752 B12R1.32 CCCN(C)Cc1cccnn1 2230a_100000747261_100016990269 [0,1,0,0,0,1|2,0,0]=4 6753 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,1,0,0,0,1|2,0,0]=4 6754 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,1,0,0,0,1|2,0,0]=4 6755 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,1,0,0,0,1|2,0,0]=4 6756 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,1,0,0,0,1|2,0,0]=4 6757 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,1,0,0,0,1|2,0,0]=4 6758 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100000747261_100016995436 [0,1,0,0,0,1|2,0,0]=4 6759 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100011269079_100000210303 [0,1,0,0,0,1|2,0,0]=4 6760 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100000747261_100016995436 [0,1,0,0,0,1|2,0,0]=4 6761 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100011269079_100000210303 [0,1,0,0,0,1|2,0,0]=4 6762 B12R1.32 CCCN(C)Cc1cnccn1 270004a_100000747261_100000749867 [0,1,0,0,0,1|2,0,0]=4 6763 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100000747261_100000703007 [0,1,0,0,0,1|2,0,0]=4 6764 B12R1.32 CCCN(C)Cc1ncccn1 2230a_100025716638_100000210303 [0,1,0,0,0,1|2,0,0]=4 6765 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100000747261_100000703007 [0,1,0,0,0,1|2,0,0]=4 6766 B12R1.32 CCCN(C)Cc1ncccn1 269982a_100025716638_100000210303 [0,1,0,0,0,1|2,0,0]=4 6767 B12R1.32 CCCN(C)Cc1ncccn1 270004a_100000747261_100011532527 [0,1,0,0,0,1|2,0,0]=4 6768 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,0,0,1|2,0,0]=4 6769 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,0,0,1|2,0,0]=4 6770 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,1,0,0,0,1|2,0,0]=4 6771 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,1,0,0,0,1|2,0,0]=4 6772 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,1,0,0,0,1|2,0,0]=4 6773 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,1,0,0,0,1|2,0,0]=4 6774 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,1,0,0,0,1|2,0,0]=4 6775 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,1,0,0,0,1|2,0,0]=4 6776 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,1,0,0,0,1|2,0,0]=4 6777 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,1,0,0,0,1|2,0,0]=4 6778 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,1,0,0,0,1|2,0,0]=4 6779 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,1,0,0,0,1|2,0,0]=4 6780 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,1,0,0,0,1|2,0,0]=4 6781 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,1|2,0,0]=4 6782 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,1|2,0,0]=4 6783 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,1|2,0,0]=4 6784 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,1|2,0,0]=4 6785 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,1|2,0,0]=4 6786 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,1|2,0,0]=4 6787 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,1|2,0,0]=4 6788 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,1|2,0,0]=4 6789 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,1|2,0,0]=4 6790 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,1|2,0,0]=4 6791 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,1|2,0,0]=4 6792 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,1|2,0,0]=4 6793 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,1|2,0,0]=4 6794 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,1|2,0,0]=4 6795 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,1|2,0,0]=4 6796 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,1|2,0,0]=4 6797 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,1|2,0,0]=4 6798 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,1|2,0,0]=4 6799 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,1|2,0,0]=4 6800 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,1,0,0,0,1|1,0,1]=4 6801 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,1,0,0,0,1|1,0,1]=4 6802 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,1,0,0,0,1|1,0,1]=4 6803 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,1,0,0,0,1|1,0,1]=4 6804 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,1,0,0,0,1|2,0,0]=4 6805 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,1,0,0,0,1|2,0,0]=4 6806 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,1,0,0,0,1|2,0,0]=4 6807 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,1,0,0,0,1|2,0,0]=4 6808 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,1,0,0,0,1|2,0,0]=4 6809 B12R1.252 CC(Br)COCc1ncccn1 34a_100012180447_100000703007 [0,1,0,0,0,1|2,0,0]=4 6810 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,1,0,0,0,1|2,0,0]=4 6811 B12R1.252 CC(C)CCNc1cccnn1 27a_100000210545_100016991348 [0,1,0,0,0,1|2,0,0]=4 6812 B12R1.252 CC(C)CCNc1ccncn1 27a_100000210545_100000703185 [0,1,0,0,0,1|2,0,0]=4 6813 B12R1.252 CC(C)CCNc1cnccn1 27a_100000210545_100000211759 [0,1,0,0,0,1|2,0,0]=4 6814 B12R1.252 CC(C)CCNc1ncccn1 27a_100000210545_100000211032 [0,1,0,0,0,1|2,0,0]=4 6815 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,1,0,0,0,1|2,0,0]=4 6816 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,1,0,0,0,1|2,0,0]=4 6817 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,1,0,0,0,1|2,0,0]=4 6818 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,1,0,0,0,1|2,0,0]=4 6819 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,1,0,0,0,1|2,0,0]=4 6820 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,1,0,0,0,1|2,0,0]=4 6821 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,1,0,0,0,1|2,0,0]=4 6822 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,1,0,0,0,1|2,0,0]=4 6823 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,1,0,0,0,1|2,0,0]=4 6824 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,1,0,0,0,1|2,0,0]=4 6825 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,1,0,0,0,1|2,0,0]=4 6826 B12R1.252 CC(C)CCSc1cccnn1 62a_100000210312_100016991348 [0,1,0,0,0,1|2,0,0]=4 6827 B12R1.252 CC(C)CCSc1cccnn1 62a_100016991348_100000210312 [0,1,0,0,0,1|2,0,0]=4 6828 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,1,0,0,0,1|2,0,0]=4 6829 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,1,0,0,0,1|2,0,0]=4 6830 B12R1.252 CC(C)CCSc1ccncn1 62a_100000210312_100000703185 [0,1,0,0,0,1|2,0,0]=4 6831 B12R1.252 CC(C)CCSc1ccncn1 62a_100000703185_100000210312 [0,1,0,0,0,1|2,0,0]=4 6832 B12R1.252 CC(C)CCSc1cnccn1 62a_100000210312_100000211759 [0,1,0,0,0,1|2,0,0]=4 6833 B12R1.252 CC(C)CCSc1cnccn1 62a_100000211759_100000210312 [0,1,0,0,0,1|2,0,0]=4 6834 B12R1.252 CC(C)CCSc1ncccn1 62a_100000210312_100000211032 [0,1,0,0,0,1|2,0,0]=4 6835 B12R1.252 CC(C)CCSc1ncccn1 62a_100000211032_100000210312 [0,1,0,0,0,1|2,0,0]=4 6836 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,1,0,0,0,1|2,0,0]=4 6837 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,1,0,0,0,1|2,0,0]=4 6838 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,1,0,0,0,1|2,0,0]=4 6839 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,1,0,0,0,1|2,0,0]=4 6840 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,1,0,0,0,1|2,0,0]=4 6841 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,1,0,0,0,1|2,0,0]=4 6842 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,1,0,0,0,1|2,0,0]=4 6843 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,1,0,0,0,1|2,0,0]=4 6844 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,1,0,0,0,1|2,0,0]=4 6845 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,1,0,0,0,1|2,0,0]=4 6846 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,1,0,0,0,1|2,0,0]=4 6847 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,1,0,0,0,1|2,0,0]=4 6848 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,1,0,0,0,1|2,0,0]=4 6849 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,1,0,0,0,1|2,0,0]=4 6850 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,1,0,0,0,1|2,0,0]=4 6851 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,1,0,0,0,1|2,0,0]=4 6852 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,1,0,0,0,1|2,0,0]=4 6853 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,1,0,0,0,1|2,0,0]=4 6854 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,1,0,0,0,1|2,0,0]=4 6855 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,1,0,0,0,1|2,0,0]=4 6856 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,1,0,0,0,1|2,0,0]=4 6857 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,1,0,0,0,1|2,0,0]=4 6858 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,1,0,0,0,1|2,0,0]=4 6859 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,1,0,0,0,1|2,0,0]=4 6860 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,1,0,0,0,1|2,0,0]=4 6861 B12R1.252 CC(C)CNCc1ncccn1 2230a_100000210953_100000703007 [0,1,0,0,0,1|2,0,0]=4 6862 B12R1.252 CC(C)CNCc1ncccn1 270004a_100000210953_100011532527 [0,1,0,0,0,1|2,0,0]=4 6863 B12R1.252 CC(C)CNCc1ncccn1 34a_100000210953_100000703007 [0,1,0,0,0,1|2,0,0]=4 6864 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,1,0,0,0,1|2,0,0]=4 6865 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,1,0,0,0,1|2,0,0]=4 6866 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,1,0,0,0,1|2,0,0]=4 6867 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,1,0,0,0,1|2,0,0]=4 6868 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,1,0,0,0,1|2,0,0]=4 6869 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,1,0,0,0,1|2,0,0]=4 6870 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,1,0,0,0,1|2,0,0]=4 6871 B12R1.252 CC(C)COCc1ncccn1 34a_100000210257_100000703007 [0,1,0,0,0,1|2,0,0]=4 6872 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,1,0,0,0,1|2,0,0]=4 6873 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,1,0,0,0,1|2,0,0]=4 6874 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,1,0,0,0,1|2,0,0]=4 6875 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,1,0,0,0,1|2,0,0]=4 6876 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,1,0,0,0,1|2,0,0]=4 6877 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,1,0,0,0,1|2,0,0]=4 6878 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,1,0,0,0,1|2,0,0]=4 6879 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,1,0,0,0,1|2,0,0]=4 6880 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,1,0,0,0,1|2,0,0]=4 6881 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,1,0,0,0,1|2,0,0]=4 6882 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,1,0,0,0,1|2,0,0]=4 6883 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,1,0,0,0,1|2,0,0]=4 6884 B12R1.252 CC(C)CSCc1ncccn1 62a_100000210624_100000703007 [0,1,0,0,0,1|2,0,0]=4 6885 B12R1.252 CC(C)CSCc1ncccn1 62a_100000703007_100000210760 [0,1,0,0,0,1|2,0,0]=4 6886 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,1,0,0,0,1|2,0,0]=4 6887 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,1,0,0,0,1|2,0,0]=4 6888 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,1,0,0,0,1|2,0,0]=4 6889 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,1,0,0,0,1|2,0,0]=4 6890 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,1,0,0,0,1|2,0,0]=4 6891 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,1,0,0,0,1|2,0,0]=4 6892 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,1,0,0,0,1|2,0,0]=4 6893 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,1,0,0,0,1|2,0,0]=4 6894 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,1,0,0,0,1|2,0,0]=4 6895 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,1,0,0,0,1|2,0,0]=4 6896 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,1,0,0,0,1|2,0,0]=4 6897 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,1,0,0,0,1|2,0,0]=4 6898 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,1,0,0,0,1|2,0,0]=4 6899 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,1,0,0,0,1|2,0,0]=4 6900 B12R1.252 CC(C)OCCc1cnccn1 34a_100011349526_100000210206 [0,1,0,0,0,1|2,0,0]=4 6901 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,1,0,0,0,1|2,0,0]=4 6902 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,1,0,0,0,1|2,0,0]=4 6903 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,1,0,0,0,1|2,0,0]=4 6904 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,1,0,0,0,1|2,0,0]=4 6905 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,1,0,0,0,1|2,0,0]=4 6906 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,1,0,0,0,1|2,0,0]=4 6907 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,1,0,0,0,1|2,0,0]=4 6908 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,1,0,0,0,1|2,0,0]=4 6909 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,1,0,0,0,1|2,0,0]=4 6910 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,1,0,0,0,1|2,0,0]=4 6911 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,1,0,0,0,1|2,0,0]=4 6912 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,1,0,0,0,1|2,0,0]=4 6913 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,1,0,0,0,1|2,0,0]=4 6914 B12R1.252 CC(F)COCc1ncccn1 34a_100015925927_100000703007 [0,1,0,0,0,1|2,0,0]=4 6915 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,1,0,0,0,1|2,0,0]=4 6916 B12R1.252 CC(O)CCNc1cccnn1 27a_200000755665_100016991348 [0,1,0,0,0,1|2,0,0]=4 6917 B12R1.252 CC(O)CCNc1ccncn1 27a_200000755665_100000703185 [0,1,0,0,0,1|2,0,0]=4 6918 B12R1.252 CC(O)CCNc1cnccn1 27a_200000755665_100000211759 [0,1,0,0,0,1|2,0,0]=4 6919 B12R1.252 CC(O)CCNc1ncccn1 27a_200000755665_100000211032 [0,1,0,0,0,1|2,0,0]=4 6920 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,1,0,0,0,1|2,0,0]=4 6921 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,1,0,0,0,1|2,0,0]=4 6922 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,1,0,0,0,1|2,0,0]=4 6923 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,1,0,0,0,1|2,0,0]=4 6924 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,1,0,0,0,1|2,0,0]=4 6925 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,1,0,0,0,1|2,0,0]=4 6926 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,1,0,0,0,1|2,0,0]=4 6927 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,1,0,0,0,1|2,0,0]=4 6928 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,1,0,0,0,1|2,0,0]=4 6929 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,1,0,0,0,1|2,0,0]=4 6930 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,1,0,0,0,1|2,0,0]=4 6931 B12R1.252 CC(O)CCSc1cccnn1 62a_100012276601_100016991348 [0,1,0,0,0,1|2,0,0]=4 6932 B12R1.252 CC(O)CCSc1cccnn1 62a_100016991348_100012276601 [0,1,0,0,0,1|2,0,0]=4 6933 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,1,0,0,0,1|2,0,0]=4 6934 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,1,0,0,0,1|2,0,0]=4 6935 B12R1.252 CC(O)CCSc1ccncn1 62a_100000703185_100012276601 [0,1,0,0,0,1|2,0,0]=4 6936 B12R1.252 CC(O)CCSc1ccncn1 62a_100012276601_100000703185 [0,1,0,0,0,1|2,0,0]=4 6937 B12R1.252 CC(O)CCSc1cnccn1 62a_100000211759_100012276601 [0,1,0,0,0,1|2,0,0]=4 6938 B12R1.252 CC(O)CCSc1cnccn1 62a_100012276601_100000211759 [0,1,0,0,0,1|2,0,0]=4 6939 B12R1.252 CC(O)CCSc1ncccn1 62a_100000211032_100012276601 [0,1,0,0,0,1|2,0,0]=4 6940 B12R1.252 CC(O)CCSc1ncccn1 62a_100012276601_100000211032 [0,1,0,0,0,1|2,0,0]=4 6941 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,1,0,0,0,1|2,0,0]=4 6942 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,1,0,0,0,1|2,0,0]=4 6943 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,1,0,0,0,1|2,0,0]=4 6944 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,1,0,0,0,1|2,0,0]=4 6945 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,1,0,0,0,1|2,0,0]=4 6946 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,1,0,0,0,1|2,0,0]=4 6947 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,1,0,0,0,1|2,0,0]=4 6948 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,1,0,0,0,1|2,0,0]=4 6949 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,1,0,0,0,1|2,0,0]=4 6950 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,1,0,0,0,1|2,0,0]=4 6951 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,1,0,0,0,1|2,0,0]=4 6952 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,1,0,0,0,1|2,0,0]=4 6953 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,1,0,0,0,1|2,0,0]=4 6954 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,1,0,0,0,1|2,0,0]=4 6955 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,1,0,0,0,1|2,0,0]=4 6956 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,1,0,0,0,1|2,0,0]=4 6957 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,1,0,0,0,1|2,0,0]=4 6958 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,1,0,0,0,1|2,0,0]=4 6959 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,1,0,0,0,1|2,0,0]=4 6960 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,1,0,0,0,1|2,0,0]=4 6961 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,1,0,0,0,1|2,0,0]=4 6962 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,1,0,0,0,1|2,0,0]=4 6963 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,1,0,0,0,1|2,0,0]=4 6964 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,1,0,0,0,1|2,0,0]=4 6965 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,1,0,0,0,1|2,0,0]=4 6966 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,1,0,0,0,1|2,0,0]=4 6967 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,1,0,0,0,1|2,0,0]=4 6968 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,1,0,0,0,1|2,0,0]=4 6969 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,1,0,0,0,1|2,0,0]=4 6970 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,1,0,0,0,1|2,0,0]=4 6971 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,1,0,0,0,1|2,0,0]=4 6972 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,1,0,0,0,1|2,0,0]=4 6973 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,1,0,0,0,1|2,0,0]=4 6974 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,1,0,0,0,1|2,0,0]=4 6975 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,1,0,0,0,1|2,0,0]=4 6976 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,1,0,0,0,1|2,0,0]=4 6977 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,1,0,0,0,1|2,0,0]=4 6978 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,1,0,0,0,1|2,0,0]=4 6979 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,1,0,0,0,1|2,0,0]=4 6980 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,1,0,0,0,1|2,0,0]=4 6981 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,1,0,0,0,1|2,0,0]=4 6982 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,1,0,0,0,1|2,0,0]=4 6983 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,1,0,0,0,1|2,0,0]=4 6984 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,1,0,0,0,1|2,0,0]=4 6985 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,1,0,0,0,1|2,0,0]=4 6986 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,1,0,0,0,1|2,0,0]=4 6987 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,1,0,0,0,1|2,0,0]=4 6988 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,1,0,0,0,1|2,0,0]=4 6989 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,1,0,0,0,1|2,0,0]=4 6990 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,1,0,0,0,1|2,0,0]=4 6991 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,1,0,0,0,1|2,0,0]=4 6992 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,1,0,0,0,1|2,0,0]=4 6993 B12R1.252 C[C@@H](Cl)COCc1ncccn1 34a_100016084084_100000703007 [0,1,0,0,0,1|2,0,0]=4 6994 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,1,0,0,0,1|2,0,0]=4 6995 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,1,0,0,0,1|2,0,0]=4 6996 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,1,0,0,0,1|2,0,0]=4 6997 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,1,0,0,0,1|2,0,0]=4 6998 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,1,0,0,0,1|2,0,0]=4 6999 B12R1.252 C[C@@H](N)COCc1ncccn1 34a_100000737577_100000703007 [0,1,0,0,0,1|2,0,0]=4 7000 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,1,0,0,0,1|2,0,0]=4 7001 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,1,0,0,0,1|2,0,0]=4 7002 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,1,0,0,0,1|2,0,0]=4 7003 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,1,0,0,0,1|2,0,0]=4 7004 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,1,0,0,0,1|2,0,0]=4 7005 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,1,0,0,0,1|2,0,0]=4 7006 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,1,0,0,0,1|2,0,0]=4 7007 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,1,0,0,0,1|2,0,0]=4 7008 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,1,0,0,0,1|2,0,0]=4 7009 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,1,0,0,0,1|2,0,0]=4 7010 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,1,0,0,0,1|2,0,0]=4 7011 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,1,0,0,0,1|2,0,0]=4 7012 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,1,0,0,0,1|2,0,0]=4 7013 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,1,0,0,0,1|2,0,0]=4 7014 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,1,0,0,0,1|2,0,0]=4 7015 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,1,0,0,0,1|2,0,0]=4 7016 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,1,0,0,0,1|2,0,0]=4 7017 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,1,0,0,0,1|2,0,0]=4 7018 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,1,0,0,0,1|2,0,0]=4 7019 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,1,0,0,0,1|1,0,1]=4 7020 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,1,0,0,0,1|1,0,1]=4 7021 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,1,0,0,0,1|1,0,1]=4 7022 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [0,1,0,0,0,1|1,0,0]=3 7023 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,1,0,0,0,1|2,0,0]=4 7024 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,1,0,0,0,1|2,0,0]=4 7025 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,1,0,0,0,1|2,0,0]=4 7026 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,1,0,0,0,1|2,0,0]=4 7027 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,1,0,0,0,1|2,0,0]=4 7028 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,1,0,0,0,1|2,0,0]=4 7029 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [0,1,0,0,0,1|2,0,0]=4 7030 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [0,1,0,0,0,1|2,0,0]=4 7031 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [0,1,0,0,0,1|2,0,0]=4 7032 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,1,0,0,0,1|2,0,0]=4 7033 B12R1.267 CCCCNc1nccnc1C 27a_100000102301_100011999405 [0,1,0,0,0,1|2,0,0]=4 7034 B12R1.267 CCCCNc1nccnc1F 27a_100000102301_200010125657 [0,1,0,0,0,1|2,0,0]=4 7035 B12R1.267 CCCCNc1ncncc1C 27a_100000102301_100011998708 [0,1,0,0,0,1|2,0,0]=4 7036 B12R1.267 CCCCNc1ncncc1F 27a_100000102301_100000069762 [0,1,0,0,0,1|2,0,0]=4 7037 B12R1.267 CCCCNc1ncncc1N 27a_100000102301_100000709731 [0,1,0,0,0,1|2,0,0]=4 7038 B12R1.267 CCCCNc1nnccc1C 27a_100000102301_100000089043 [0,1,0,0,0,1|2,0,0]=4 7039 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,1,0,0,0,1|2,0,0]=4 7040 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,1,0,0,0,1|2,0,0]=4 7041 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,1,0,0,0,1|2,0,0]=4 7042 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,1,0,0,0,1|2,0,0]=4 7043 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,1,0,0,0,1|2,0,0]=4 7044 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,1,0,0,0,1|2,0,0]=4 7045 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,1,0,0,0,1|2,0,0]=4 7046 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,1,0,0,0,1|2,0,0]=4 7047 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,1,0,0,0,1|2,0,0]=4 7048 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,1,0,0,0,1|2,0,0]=4 7049 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,1,0,0,0,1|2,0,0]=4 7050 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,1,0,0,0,1|2,0,0]=4 7051 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,1,0,0,0,1|2,0,0]=4 7052 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,1,0,0,0,1|2,0,0]=4 7053 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,1,0,0,0,1|2,0,0]=4 7054 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,1,0,0,0,1|2,0,0]=4 7055 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,1,0,0,0,1|2,0,0]=4 7056 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,1,0,0,0,1|2,0,0]=4 7057 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,1,0,0,0,1|2,0,0]=4 7058 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,1,0,0,0,1|2,0,0]=4 7059 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,1,0,0,0,1|2,0,0]=4 7060 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,1,0,0,0,1|2,0,0]=4 7061 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,1,0,0,0,1|2,0,0]=4 7062 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,1,0,0,0,1|2,0,0]=4 7063 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,1,0,0,0,1|2,0,0]=4 7064 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,1,0,0,0,1|2,0,0]=4 7065 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,1,0,0,0,1|1,0,0]=3 7066 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,1,0,0,0,1|1,0,0]=3 7067 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,1,0,0,0,1|2,0,0]=4 7068 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,1,0,0,0,1|2,0,0]=4 7069 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,1,0,0,0,1|2,0,0]=4 7070 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,1,0,0,0,1|2,0,0]=4 7071 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,1,0,0,0,1|2,0,0]=4 7072 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,1,0,0,0,1|2,0,0]=4 7073 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,1,0,0,0,1|2,0,0]=4 7074 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,1,0,0,0,1|2,0,0]=4 7075 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,1,0,0,0,1|2,0,0]=4 7076 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,1,0,0,0,1|1,0,0]=3 7077 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,1,0,0,0,1|2,0,0]=4 7078 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,1,0,0,0,1|2,0,0]=4 7079 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,1,0,0,0,1|2,0,0]=4 7080 B12R1.267 CCCCOc1nccnc1C 34a_100000766352_100000210210 [0,1,0,0,0,1|2,0,0]=4 7081 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,1,0,0,0,1|2,0,0]=4 7082 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,1,0,0,0,1|2,0,0]=4 7083 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [0,1,0,0,0,1|2,0,0]=4 7084 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [0,1,0,0,0,1|2,0,0]=4 7085 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,1,0,0,0,1|2,0,0]=4 7086 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,1,0,0,0,1|2,0,0]=4 7087 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,1,0,0,0,1|2,0,0]=4 7088 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,1,0,0,0,1|2,0,0]=4 7089 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,1,0,0,0,1|2,0,0]=4 7090 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,1,0,0,0,1|2,0,0]=4 7091 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,1,0,0,0,1|2,0,0]=4 7092 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,1,0,0,0,1|2,0,0]=4 7093 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,1,0,0,0,1|2,0,0]=4 7094 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,1,0,0,0,1|2,0,0]=4 7095 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,1,0,0,0,1|2,0,0]=4 7096 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,1,0,0,0,1|2,0,0]=4 7097 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,1,0,0,0,1|2,0,0]=4 7098 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,1,0,0,0,1|2,0,0]=4 7099 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,1,0,0,0,1|2,0,0]=4 7100 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,1,0,0,0,1|2,0,0]=4 7101 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,1,0,0,0,1|2,0,0]=4 7102 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,1,0,0,0,1|2,0,0]=4 7103 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,1,0,0,0,1|2,0,0]=4 7104 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,1,0,0,0,1|2,0,0]=4 7105 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,1,0,0,0,1|2,0,0]=4 7106 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,1,0,0,0,1|2,0,0]=4 7107 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,1,0,0,0,1|2,0,0]=4 7108 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,1,0,0,0,1|2,0,0]=4 7109 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,0,0,0,1|2,0,0]=4 7110 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,0,0,0,1|2,0,0]=4 7111 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [0,1,0,0,0,1|2,0,0]=4 7112 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [0,1,0,0,0,1|2,0,0]=4 7113 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [0,1,0,0,0,1|2,0,0]=4 7114 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [0,1,0,0,0,1|2,0,0]=4 7115 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [0,1,0,0,0,1|2,0,0]=4 7116 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [0,1,0,0,0,1|2,0,0]=4 7117 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [0,1,0,0,0,1|2,0,0]=4 7118 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [0,1,0,0,0,1|2,0,0]=4 7119 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [0,1,0,0,0,1|2,0,0]=4 7120 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [0,1,0,0,0,1|2,0,0]=4 7121 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,1,0,0,0,1|2,0,0]=4 7122 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,1,0,0,0,1|2,0,0]=4 7123 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,1,0,0,0,1|2,0,0]=4 7124 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,1,0,0,0,1|2,0,0]=4 7125 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,1,0,0,0,1|2,0,0]=4 7126 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,1,0,0,0,1|2,0,0]=4 7127 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,1,0,0,0,1|2,0,0]=4 7128 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,1,0,0,0,1|2,0,0]=4 7129 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,1,0,0,0,1|2,0,0]=4 7130 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,1,0,0,0,1|2,0,0]=4 7131 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,1,0,0,0,1|2,0,0]=4 7132 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,1,0,0,0,1|2,0,0]=4 7133 B12R1.267 CCCCSc1ncc[nH]c1=O 62a_100000210211_100000763361 [0,1,0,0,0,1|2,0,0]=4 7134 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,1,0,0,0,1|2,0,0]=4 7135 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,1,0,0,0,1|2,0,0]=4 7136 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,1,0,0,0,1|2,0,0]=4 7137 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,1,0,0,0,1|2,0,0]=4 7138 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,1,0,0,0,1|2,0,0]=4 7139 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,1,0,0,0,1|2,0,0]=4 7140 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,1,0,0,0,1|2,0,0]=4 7141 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,1,0,0,0,1|2,0,0]=4 7142 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,1,0,0,0,1|2,0,0]=4 7143 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,1,0,0,0,1|2,0,0]=4 7144 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,1,0,0,0,1|2,0,0]=4 7145 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,1,0,0,0,1|2,0,0]=4 7146 B12R1.267 CCCCSc1nccnc1C 62a_100000210211_100011999405 [0,1,0,0,0,1|2,0,0]=4 7147 B12R1.267 CCCCSc1nccnc1C 62a_100011999405_100000210210 [0,1,0,0,0,1|2,0,0]=4 7148 B12R1.267 CCCCSc1nccnc1Cl 62a_100000210211_100010886584 [0,1,0,0,0,1|2,0,0]=4 7149 B12R1.267 CCCCSc1nccnc1Cl 62a_100010886584_100000210210 [0,1,0,0,0,1|2,0,0]=4 7150 B12R1.267 CCCCSc1nccnc1F 62a_100000210211_200010125657 [0,1,0,0,0,1|2,0,0]=4 7151 B12R1.267 CCCCSc1nccnc1F 62a_200010125657_100000210210 [0,1,0,0,0,1|2,0,0]=4 7152 B12R1.267 CCCCSc1nccnc1N 62a_100000210211_100000747729 [0,1,0,0,0,1|2,0,0]=4 7153 B12R1.267 CCCCSc1nccnc1N 62a_100000747729_100000210210 [0,1,0,0,0,1|2,0,0]=4 7154 B12R1.267 CCCCSc1ncncc1C 62a_100000210211_100011998708 [0,1,0,0,0,1|2,0,0]=4 7155 B12R1.267 CCCCSc1ncncc1C 62a_100011998708_100000210210 [0,1,0,0,0,1|2,0,0]=4 7156 B12R1.267 CCCCSc1ncncc1F 62a_100000069762_100000210210 [0,1,0,0,0,1|2,0,0]=4 7157 B12R1.267 CCCCSc1ncncc1F 62a_100000210211_100000069762 [0,1,0,0,0,1|2,0,0]=4 7158 B12R1.267 CCCCSc1ncncc1N 62a_100000210211_100000709731 [0,1,0,0,0,1|2,0,0]=4 7159 B12R1.267 CCCCSc1ncncc1N 62a_100000709731_100000210210 [0,1,0,0,0,1|2,0,0]=4 7160 B12R1.267 CCCCSc1nnccc1C 62a_100000210211_100000089043 [0,1,0,0,0,1|2,0,0]=4 7161 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,1,0,0,0,1|2,0,0]=4 7162 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,1,0,0,0,1|2,0,0]=4 7163 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,1,0,0,0,1|2,0,0]=4 7164 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,1,0,0,0,1|2,0,0]=4 7165 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,1,0,0,0,1|2,0,0]=4 7166 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,1,0,0,0,1|2,0,0]=4 7167 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,1,0,0,0,1|2,0,0]=4 7168 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,1,0,0,0,1|2,0,0]=4 7169 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,1,0,0,0,1|2,0,0]=4 7170 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,1,0,0,0,1|2,0,0]=4 7171 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,1,0,0,0,1|2,0,0]=4 7172 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,1,0,0,0,1|2,0,0]=4 7173 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,1,0,0,0,1|2,0,0]=4 7174 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,1,0,0,0,1|2,0,0]=4 7175 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,1,0,0,0,1|2,0,0]=4 7176 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,1,0,0,0,1|2,0,0]=4 7177 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,0,0,0,1|2,0,0]=4 7178 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,0,0,0,1|2,0,0]=4 7179 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,1,0,0,0,1|2,0,0]=4 7180 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,1,0,0,0,1|2,0,0]=4 7181 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,1,0,0,0,1|2,0,0]=4 7182 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,1,0,0,0,1|2,0,0]=4 7183 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,1,0,0,0,1|2,0,0]=4 7184 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,1,0,0,0,1|2,0,0]=4 7185 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,1,0,0,0,1|2,0,0]=4 7186 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,0,0,0,1|2,0,0]=4 7187 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,0,0,0,1|2,0,0]=4 7188 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,1,0,0,0,1|2,0,0]=4 7189 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,1,0,0,0,1|2,0,0]=4 7190 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,1,0,0,0,1|2,0,0]=4 7191 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,1,0,0,0,1|2,0,0]=4 7192 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,1,0,0,0,1|2,0,0]=4 7193 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,1,0,0,0,1|2,0,0]=4 7194 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,1,0,0,0,1|2,0,0]=4 7195 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,1,0,0,0,1|2,0,0]=4 7196 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,1,0,0,0,1|2,0,0]=4 7197 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,1,0,0,0,1|2,0,0]=4 7198 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,1,0,0,0,1|2,0,0]=4 7199 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,1,0,0,0,1|2,0,0]=4 7200 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,1,0,0,0,1|2,0,0]=4 7201 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,1,0,0,0,1|2,0,0]=4 7202 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,1,0,0,0,1|2,0,0]=4 7203 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,1,0,0,0,1|2,0,0]=4 7204 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,1,0,0,0,1|2,0,0]=4 7205 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,1,0,0,0,1|2,0,0]=4 7206 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,1,0,0,0,1|2,0,0]=4 7207 B12R1.267 CCCNCc1nccnc1C 2230a_100020641712_100000210303 [0,1,0,0,0,1|2,0,0]=4 7208 B12R1.267 CCCNCc1nccnc1C 270004a_100020643023_100000050726 [0,1,0,0,0,1|2,0,0]=4 7209 B12R1.267 CCCNCc1nccnc1C 34a_100020641712_100000210303 [0,1,0,0,0,1|2,0,0]=4 7210 B12R1.267 CCCNCc1nccnc1Cl 2230a_100000729963_100000210303 [0,1,0,0,0,1|2,0,0]=4 7211 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,1,0,0,0,1|2,0,0]=4 7212 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,1,0,0,0,1|2,0,0]=4 7213 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,1,0,0,0,1|2,0,0]=4 7214 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,1,0,0,0,1|2,0,0]=4 7215 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,1,0,0,0,1|2,0,0]=4 7216 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,1,0,0,0,1|2,0,0]=4 7217 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,1,0,0,0,1|2,0,0]=4 7218 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,1,0,0,0,1|2,0,0]=4 7219 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,1,0,0,0,1|2,0,0]=4 7220 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,1,0,0,0,1|2,0,0]=4 7221 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,1,0,0,0,1|2,0,0]=4 7222 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,1,0,0,0,1|2,0,0]=4 7223 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,1,0,0,0,1|2,0,0]=4 7224 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,1,0,0,0,1|2,0,0]=4 7225 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,1,0,0,0,1|2,0,0]=4 7226 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,1,0,0,0,1|2,0,0]=4 7227 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,1,0,0,0,1|2,0,0]=4 7228 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,1,0,0,0,1|2,0,0]=4 7229 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,1,0,0,0,1|2,0,0]=4 7230 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,1,0,0,0,1|2,0,0]=4 7231 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,1,0,0,0,1|2,0,0]=4 7232 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,1,0,0,0,1|2,0,0]=4 7233 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,1,0,0,0,1|2,0,0]=4 7234 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,1,0,0,0,1|2,0,0]=4 7235 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,1,0,0,0,1|2,0,0]=4 7236 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,1,0,0,0,1|2,0,0]=4 7237 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,1,0,0,0,1|2,0,0]=4 7238 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,1,0,0,0,1|2,0,0]=4 7239 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,1,0,0,0,1|2,0,0]=4 7240 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,1,0,0,0,1|2,0,0]=4 7241 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,1,0,0,0,1|2,0,0]=4 7242 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,1,0,0,0,1|2,0,0]=4 7243 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,1,0,0,0,1|2,0,0]=4 7244 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,1,0,0,0,1|2,0,0]=4 7245 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,1,0,0,0,1|2,0,0]=4 7246 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,1,0,0,0,1|2,0,0]=4 7247 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,1,0,0,0,1|2,0,0]=4 7248 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,1,0,0,0,1|2,0,0]=4 7249 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,1,0,0,0,1|2,0,0]=4 7250 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,1,0,0,0,1|2,0,0]=4 7251 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,1,0,0,0,1|2,0,0]=4 7252 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,1,0,0,0,1|2,0,0]=4 7253 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,1,0,0,0,1|2,0,0]=4 7254 B12R1.267 CCCOCc1nccnc1Cl 34a_100000057004_100000210303 [0,1,0,0,0,1|2,0,0]=4 7255 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,1,0,0,0,1|2,0,0]=4 7256 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,1,0,0,0,1|2,0,0]=4 7257 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,1,0,0,0,1|2,0,0]=4 7258 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,1,0,0,0,1|2,0,0]=4 7259 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,1,0,0,0,1|2,0,0]=4 7260 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,1,0,0,0,1|2,0,0]=4 7261 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,1,0,0,0,1|2,0,0]=4 7262 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,1,0,0,0,1|2,0,0]=4 7263 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,1,0,0,0,1|2,0,0]=4 7264 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,1,0,0,0,1|2,0,0]=4 7265 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,0,0,0,1|2,0,0]=4 7266 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,1,0,0,0,1|2,0,0]=4 7267 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,1,0,0,0,1|2,0,0]=4 7268 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,1,0,0,0,1|2,0,0]=4 7269 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,1,0,0,0,1|2,0,0]=4 7270 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,1,0,0,0,1|2,0,0]=4 7271 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,1,0,0,0,1|2,0,0]=4 7272 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,1,0,0,0,1|2,0,0]=4 7273 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,1,0,0,0,1|2,0,0]=4 7274 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [0,1,0,0,0,1|2,0,0]=4 7275 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [0,1,0,0,0,1|2,0,0]=4 7276 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [0,1,0,0,0,1|2,0,0]=4 7277 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [0,1,0,0,0,1|2,0,0]=4 7278 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,1,0,0,0,1|2,0,0]=4 7279 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,1,0,0,0,1|2,0,0]=4 7280 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,1,0,0,0,1|2,0,0]=4 7281 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,1,0,0,0,1|2,0,0]=4 7282 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,1,0,0,0,1|2,0,0]=4 7283 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,1,0,0,0,1|2,0,0]=4 7284 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,1,0,0,0,1|2,0,0]=4 7285 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,1,0,0,0,1|2,0,0]=4 7286 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,1,0,0,0,1|2,0,0]=4 7287 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,1,0,0,0,1|2,0,0]=4 7288 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,1,0,0,0,1|2,0,0]=4 7289 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,1,0,0,0,1|2,0,0]=4 7290 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,1,0,0,0,1|2,0,0]=4 7291 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,1,0,0,0,1|2,0,0]=4 7292 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,1,0,0,0,1|2,0,0]=4 7293 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,1,0,0,0,1|2,0,0]=4 7294 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,1,0,0,0,1|2,0,0]=4 7295 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,1,0,0,0,1|2,0,0]=4 7296 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,1,0,0,0,1|2,0,0]=4 7297 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,1,0,0,0,1|2,0,0]=4 7298 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,1,0,0,0,1|2,0,0]=4 7299 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,1,0,0,0,1|2,0,0]=4 7300 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,1,0,0,0,1|2,0,0]=4 7301 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,1,0,0,0,1|2,0,0]=4 7302 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,1,0,0,0,1|2,0,0]=4 7303 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,1,0,0,0,1|2,0,0]=4 7304 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,1,0,0,0,1|2,0,0]=4 7305 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,1,0,0,0,1|2,0,0]=4 7306 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,1,0,0,0,1|2,0,0]=4 7307 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,1,0,0,0,1|2,0,0]=4 7308 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,1,0,0,0,1|2,0,0]=4 7309 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,1,0,0,0,1|2,0,0]=4 7310 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,1,0,0,0,1|2,0,0]=4 7311 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,1,0,0,0,1|2,0,0]=4 7312 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,1,0,0,0,1|2,0,0]=4 7313 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,1,0,0,0,1|2,0,0]=4 7314 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,1,0,0,0,1|2,0,0]=4 7315 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,1,0,0,0,1|2,0,0]=4 7316 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,1,0,0,0,1|2,0,0]=4 7317 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,1,0,0,0,1|2,0,0]=4 7318 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,1,0,0,0,1|2,0,0]=4 7319 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,1,0,0,0,1|2,0,0]=4 7320 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,1,0,0,0,1|2,0,0]=4 7321 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,1,0,0,0,1|2,0,0]=4 7322 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,1,0,0,0,1|2,0,0]=4 7323 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,1,0,0,0,1|2,0,0]=4 7324 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,1,0,0,0,1|2,0,0]=4 7325 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,1,0,0,0,1|2,0,0]=4 7326 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,1,0,0,0,1|2,0,0]=4 7327 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,1,0,0,0,1|2,0,0]=4 7328 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,1,0,0,0,1|2,0,0]=4 7329 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,1,0,0,0,1|2,0,0]=4 7330 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,1,0,0,0,1|2,0,0]=4 7331 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,1,0,0,0,1|2,0,0]=4 7332 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,1,0,0,0,1|2,0,0]=4 7333 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,1,0,0,0,1|2,0,0]=4 7334 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,1,0,0,0,1|2,0,0]=4 7335 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,1,0,0,0,1|2,0,0]=4 7336 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,1,0,0,0,1|2,0,0]=4 7337 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,1,0,0,0,1|2,0,0]=4 7338 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,1,0,0,0,1|2,0,0]=4 7339 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,1,0,0,0,1|2,0,0]=4 7340 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,1,0,0,0,1|2,0,0]=4 7341 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,1,0,0,0,1|2,0,0]=4 7342 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,1,0,0,0,1|2,0,0]=4 7343 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,1,0,0,0,1|2,0,0]=4 7344 B12R1.267 COCCOc1cccoc1=O 34a_100000077404_100011201679 [0,1,0,0,0,1|2,0,0]=4 7345 B12R1.267 COCCOc1cccoc1=O 7a_100000077404_100000233755 [0,1,0,0,0,1|2,0,0]=4 7346 B12R1.267 COCCOc1coccc1=O 34a_100000060831_100011201679 [0,1,0,0,0,1|2,0,0]=4 7347 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,1,0,0,0,1|2,0,0]=4 7348 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,1,0,0,0,1|2,0,0]=4 7349 B12R1.267 CSCCOc1cccoc1=O 34a_100000077404_100000212216 [0,1,0,0,0,1|2,0,0]=4 7350 B12R1.267 CSCCOc1cccoc1=O 7a_100000077404_100000212216 [0,1,0,0,0,1|2,0,0]=4 7351 B12R1.267 CSCCOc1coccc1=O 34a_100000060831_100000212216 [0,1,0,0,0,1|2,0,0]=4 7352 B12R1.267 O=c1ccocc1OCCCF 34a_100000060831_100011934791 [0,1,0,0,0,1|2,0,0]=4 7353 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [0,1,0,0,0,1|2,0,0]=4 7354 B12R1.267 O=c1occcc1OCCCF 34a_100000077404_100011934791 [0,1,0,0,0,1|2,0,0]=4 7355 B12R1.267 O=c1occcc1OCCCF 7a_100000077404_100011934791 [0,1,0,0,0,1|2,0,0]=4 7356 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [0,1,0,0,0,1|2,0,0]=4 7357 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [0,1,0,0,0,1|2,0,0]=4 7358 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,0,0,0,1|2,0,0]=4 7359 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,1,0,0,0,1|2,0,0]=4 7360 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,1,0,0,0,1|2,0,0]=4 7361 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,1,0,0,0,1|2,0,0]=4 7362 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,1,0,0,0,1|2,0,0]=4 7363 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,1,0,0,0,1|2,0,0]=4 7364 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,1,0,0,0,1|2,0,0]=4 7365 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,1,0,0,0,1|2,0,0]=4 7366 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,1,0,0,0,1|2,0,0]=4 7367 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,1,0,0,0,1|2,0,0]=4 7368 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,1,0,0,0,1|2,0,0]=4 7369 B12R1.7 BrCCCOCc1cc(cs1)Br 34a_100011217188_100000746031 [0,2,0,0,0,0|1,1,0]=4 7370 B12R1.7 BrCCCOCc1ccc(s1)Br 34a_100011217188_100000708592 [0,2,0,0,0,0|1,1,0]=4 7371 B12R1.7 C#CCCNCc1ccc(o1)Br 34a_100000708654_100000688953 [0,2,0,0,0,0|0,0,2]=4 7372 B12R1.7 C#CCCNCc1ccc(o1)C 34a_100011194323_100000688953 [0,2,0,0,0,0|0,0,2]=4 7373 B12R1.7 C#CCCOCc1ccc(o1)Br 34a_100000246276_100000688953 [0,2,0,0,0,0|0,0,2]=4 7374 B12R1.7 C#CCCOCc1ccc(o1)Br 7a_100000246276_100000688953 [0,2,0,0,0,0|0,0,2]=4 7375 B12R1.7 C#CCCOCc1ccc(o1)C 34a_100011232665_100000688953 [0,2,0,0,0,0|0,0,2]=4 7376 B12R1.7 C#CCCOCc1ccc(o1)C 7a_100011232665_100000688953 [0,2,0,0,0,0|0,0,2]=4 7377 B12R1.7 C#CCNCCc1ccc(o1)C 2230a_100000739271_100000038162 [0,2,0,0,0,0|0,0,2]=4 7378 B12R1.7 C#CCNCCc1ccc(o1)C 34a_100000739271_100000184674 [0,2,0,0,0,0|0,0,2]=4 7379 B12R1.7 C#CCOCCc1ccc(o1)C 34a_100012161071_100000184674 [0,2,0,0,0,0|0,0,2]=4 7380 B12R1.7 C#CCOCCc1ccc(o1)C 7a_100012161071_100000038162 [0,2,0,0,0,0|0,0,2]=4 7381 B12R1.7 C/C=C/CNCc1ccc(o1)Br 34a_100000708654_100102629194 [0,2,0,0,0,0|0,0,2]=4 7382 B12R1.7 C/C=C/CNCc1ccc(o1)C 34a_100011194323_100102629194 [0,2,0,0,0,0|0,0,2]=4 7383 B12R1.7 C/C=C/COCc1ccc(o1)Br 34a_100000246276_100102629194 [0,2,0,0,0,0|0,0,2]=4 7384 B12R1.7 C/C=C/COCc1ccc(o1)Br 7a_100000246276_100102629194 [0,2,0,0,0,0|0,0,2]=4 7385 B12R1.7 C/C=C/COCc1ccc(o1)C 34a_100011232665_100102629194 [0,2,0,0,0,0|0,0,2]=4 7386 B12R1.7 C/C=C/COCc1ccc(o1)C 7a_100011232665_100102629194 [0,2,0,0,0,0|0,0,2]=4 7387 B12R1.7 C=CCCNCc1cc(co1)Br 270004a_100015191253_100000747035 [0,2,0,0,0,0|0,0,2]=4 7388 B12R1.7 C=CCCNCc1ccc(o1)Br 207a_100015191253_100000185145 [0,2,0,0,0,0|0,0,2]=4 7389 B12R1.7 C=CCCNCc1ccc(o1)Br 270004a_100015191253_100000185145 [0,2,0,0,0,0|0,0,2]=4 7390 B12R1.7 C=CCCNCc1ccc(o1)Br 34a_100000708654_100000754431 [0,2,0,0,0,0|0,0,2]=4 7391 B12R1.7 C=CCCNCc1ccc(o1)C 207a_100015191253_100000183696 [0,2,0,0,0,0|0,0,2]=4 7392 B12R1.7 C=CCCNCc1ccc(o1)C 270004a_100015191253_100000183696 [0,2,0,0,0,0|0,0,2]=4 7393 B12R1.7 C=CCCNCc1ccc(o1)C 34a_100011194323_100000754431 [0,2,0,0,0,0|0,0,2]=4 7394 B12R1.7 C=CCCNCc1ccc(o1)Cl 207a_100015191253_100000188459 [0,2,0,0,0,0|0,0,2]=4 7395 B12R1.7 C=CCCNCc1ccc(o1)Cl 270004a_100015191253_100000188459 [0,2,0,0,0,0|0,0,2]=4 7396 B12R1.7 C=CCCNCc1ccc(o1)I 207a_100015191253_100000186757 [0,2,0,0,0,0|0,0,2]=4 7397 B12R1.7 C=CCCOCc1ccc(o1)Br 34a_100000246276_100000754431 [0,2,0,0,0,0|0,0,2]=4 7398 B12R1.7 C=CCCOCc1ccc(o1)Br 7a_100000246276_100000754431 [0,2,0,0,0,0|0,0,2]=4 7399 B12R1.7 C=CCCOCc1ccc(o1)C 34a_100011232665_100000754431 [0,2,0,0,0,0|0,0,2]=4 7400 B12R1.7 C=CCCOCc1ccc(o1)C 7a_100011232665_100000754431 [0,2,0,0,0,0|0,0,2]=4 7401 B12R1.7 C=CCNCCc1ccc(o1)C 2230a_100000739271_100000210623 [0,2,0,0,0,0|0,0,2]=4 7402 B12R1.7 C=CCNCCc1ccc(o1)C 34a_100000739271_100015514636 [0,2,0,0,0,0|0,0,2]=4 7403 B12R1.7 C=CCOCCc1ccc(o1)C 34a_100012161071_100015514636 [0,2,0,0,0,0|0,0,2]=4 7404 B12R1.7 C=CCOCCc1ccc(o1)C 7a_100012161071_100015514636 [0,2,0,0,0,0|0,0,2]=4 7405 B12R1.7 CC#CCNCc1ccc(o1)Br 34a_100000708654_100000748600 [0,2,0,0,0,0|0,0,2]=4 7406 B12R1.7 CC#CCNCc1ccc(o1)C 34a_100011194323_100000748600 [0,2,0,0,0,0|0,0,2]=4 7407 B12R1.7 CC#CCOCc1ccc(o1)Br 34a_100000246276_100000748600 [0,2,0,0,0,0|0,0,2]=4 7408 B12R1.7 CC#CCOCc1ccc(o1)Br 7a_100000246276_100000748600 [0,2,0,0,0,0|0,0,2]=4 7409 B12R1.7 CC#CCOCc1ccc(o1)C 34a_100011232665_100000748600 [0,2,0,0,0,0|0,0,2]=4 7410 B12R1.7 CC#CCOCc1ccc(o1)C 7a_100011232665_100000748600 [0,2,0,0,0,0|0,0,2]=4 7411 B12R1.7 CC=CCNCc1ccc(o1)Br 34a_100000708654_100000070051 [0,2,0,0,0,0|0,0,2]=4 7412 B12R1.7 CC=CCNCc1ccc(o1)C 34a_100011194323_100000070051 [0,2,0,0,0,0|0,0,2]=4 7413 B12R1.7 CC=CCOCc1ccc(o1)Br 34a_100000246276_100000070051 [0,2,0,0,0,0|0,0,2]=4 7414 B12R1.7 CC=CCOCc1ccc(o1)Br 7a_100000246276_100000070051 [0,2,0,0,0,0|0,0,2]=4 7415 B12R1.7 CC=CCOCc1ccc(o1)C 34a_100011232665_100000070051 [0,2,0,0,0,0|0,0,2]=4 7416 B12R1.7 CC=CCOCc1ccc(o1)C 7a_100011232665_100000070051 [0,2,0,0,0,0|0,0,2]=4 7417 B12R1.7 CCCCC=Cc1cc(cs1)C 271570a_100016275911_100009876951 [0,2,0,0,0,0|0,1,1]=4 7418 B12R1.7 CCCCC=Cc1ccc(s1)Br 271570a_100016275911_100010197418 [0,2,0,0,0,0|0,1,1]=4 7419 B12R1.7 CCCCC=Cc1ccc(s1)C 271570a_100016275911_100000761539 [0,2,0,0,0,0|0,1,1]=4 7420 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,2,0,0,0,0|0,1,0]=3 7421 B12R1.7 CCCCCCc1nc(no1)C 270196a_100000212224_100102632555 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.7 CCCCCNc1nnc(o1)C 27a_100000209983_100000708914 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.7 CCCCCOc1ccn(n1)C 34a_100012642153_100000718602 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.7 CCCCCSc1c[nH]c(n1)C 62a_100000210326_100009814057 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.7 CCCCCSc1c[nH]c(n1)C 62a_100009814057_100000210326 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.7 CCCCCSc1cc([nH]n1)C 62a_100000210326_100009819999 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.7 CCCCCSc1cc([nH]n1)C 62a_100009819999_100000210326 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.7 CCCCCSc1cc([nH]n1)N 62a_100000210326_100009822546 [0,2,0,0,0,0|2,0,0]=4 7429 B12R1.7 CCCCCSc1cc([nH]n1)N 62a_100009822546_100000210326 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.7 CCCCCSc1cc(cs1)C 62a_100000210326_100009876951 [0,2,0,0,0,0|0,1,0]=3 7431 B12R1.7 CCCCCSc1cc(cs1)C 62a_100009876951_100000210326 [0,2,0,0,0,0|0,1,0]=3 7432 B12R1.7 CCCCCSc1cc(n[nH]1)Br 62a_100000210326_100160470719 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.7 CCCCCSc1cc(n[nH]1)Br 62a_100160470719_100000210326 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.7 CCCCCSc1cc(ns1)C 62a_100000210326_100009815735 [0,2,0,0,0,0|1,1,0]=4 7435 B12R1.7 CCCCCSc1cc(ns1)C 62a_100009815735_100000210326 [0,2,0,0,0,0|1,1,0]=4 7436 B12R1.7 CCCCCSc1cc(on1)C 62a_100000210326_100000716708 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.7 CCCCCSc1cc(on1)C 62a_100000716708_100000210326 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100000210326_100010197418 [0,2,0,0,0,0|0,1,0]=3 7439 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100010197418_100000210326 [0,2,0,0,0,0|0,1,0]=3 7440 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000031368_100000210326 [0,2,0,0,0,0|0,1,0]=3 7441 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000210326_100000031368 [0,2,0,0,0,0|0,1,0]=3 7442 B12R1.7 CCCCCSc1ccn(n1)C 62a_100000210326_100000752436 [0,2,0,0,0,0|2,0,0]=4 7443 B12R1.7 CCCCCSc1ccn(n1)C 62a_100000752436_100000210326 [0,2,0,0,0,0|2,0,0]=4 7444 B12R1.7 CCCCCSc1cn(cn1)C 62a_100000040308_100000210326 [0,2,0,0,0,0|2,0,0]=4 7445 B12R1.7 CCCCCSc1cn(cn1)C 62a_100000210326_100000040308 [0,2,0,0,0,0|2,0,0]=4 7446 B12R1.7 CCCCCSc1cnc(s1)Br 62a_100000210326_100012357534 [0,2,0,0,0,0|1,1,0]=4 7447 B12R1.7 CCCCCSc1cnc(s1)Br 62a_100012357534_100000210326 [0,2,0,0,0,0|1,1,0]=4 7448 B12R1.7 CCCCCSc1cnc(s1)C 62a_100000210326_100000764884 [0,2,0,0,0,0|1,1,0]=4 7449 B12R1.7 CCCCCSc1cnc(s1)C 62a_100000764884_100000210326 [0,2,0,0,0,0|1,1,0]=4 7450 B12R1.7 CCCCCSc1cnc(s1)N 62a_100000210326_100000718969 [0,2,0,0,0,0|1,1,0]=4 7451 B12R1.7 CCCCCSc1cnc(s1)N 62a_100000718969_100000210326 [0,2,0,0,0,0|1,1,0]=4 7452 B12R1.7 CCCCCSc1csc(c1)C 62a_100000210326_100000759034 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.7 CCCCCSc1csc(c1)C 62a_100000759034_100000210326 [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.7 CCCCCSc1csc(n1)C 62a_100000210326_100011934587 [0,2,0,0,0,0|2,0,0]=4 7455 B12R1.7 CCCCCSc1csc(n1)C 62a_100011934587_100000210326 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.7 CCCCCSc1csc(n1)N 62a_100000210326_100011998049 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.7 CCCCCSc1csc(n1)N 62a_100011998049_100000210326 [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.7 CCCCCSc1nc(c[nH]1)C 62a_100000210326_100161115468 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.7 CCCCCSc1nc(c[nH]1)C 62a_100161115468_100000210326 [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.7 CCCCCSc1nc(cs1)Br 62a_100000210326_200016082925 [0,2,0,0,0,0|1,1,0]=4 7461 B12R1.7 CCCCCSc1nc(cs1)Br 62a_200016082925_100000210326 [0,2,0,0,0,0|1,1,0]=4 7462 B12R1.7 CCCCCSc1nc(cs1)C 62a_100000210326_100011291629 [0,2,0,0,0,0|1,1,0]=4 7463 B12R1.7 CCCCCSc1nc(cs1)C 62a_100011291629_100000210326 [0,2,0,0,0,0|1,1,0]=4 7464 B12R1.7 CCCCCSc1nc(cs1)N 62a_100000210326_200015188442 [0,2,0,0,0,0|1,1,0]=4 7465 B12R1.7 CCCCCSc1nc(cs1)N 62a_200015188442_100000210326 [0,2,0,0,0,0|1,1,0]=4 7466 B12R1.7 CCCCCSc1ncc(s1)C 62a_100000210326_100000690809 [0,2,0,0,0,0|1,1,0]=4 7467 B12R1.7 CCCCCSc1ncc(s1)C 62a_100000690809_100000210326 [0,2,0,0,0,0|1,1,0]=4 7468 B12R1.7 CCCCCSc1nnc(o1)C 62a_100000210326_100000708914 [0,2,0,0,0,0|2,0,0]=4 7469 B12R1.7 CCCCNCc1c[nH]c(n1)C 207a_100000102301_100011219055 [0,2,0,0,0,0|2,0,0]=4 7470 B12R1.7 CCCCNCc1cc(c[nH]1)Br 270004a_100000102301_100000720742 [0,2,0,0,0,0|1,0,0]=3 7471 B12R1.7 CCCCNCc1cc(co1)Br 270004a_100000102301_100000747035 [0,2,0,0,0,0|0,0,0]=2 7472 B12R1.7 CCCCNCc1cc(cs1)Br 207a_100000102301_100000211722 [0,2,0,0,0,0|0,1,0]=3 7473 B12R1.7 CCCCNCc1cc(cs1)Br 2230a_100000102301_100000746031 [0,2,0,0,0,0|0,1,0]=3 7474 B12R1.7 CCCCNCc1cc(cs1)Br 2230a_100000741024_100000210211 [0,2,0,0,0,0|0,1,0]=3 7475 B12R1.7 CCCCNCc1cc(cs1)Br 270004a_100000102301_100000211722 [0,2,0,0,0,0|0,1,0]=3 7476 B12R1.7 CCCCNCc1cc(cs1)Br 34a_100000741024_100000210210 [0,2,0,0,0,0|0,1,0]=3 7477 B12R1.7 CCCCNCc1cc(cs1)Br 7a_106832991798_100000746031 [0,2,0,0,0,0|0,1,0]=3 7478 B12R1.7 CCCCNCc1cc(cs1)C 207a_100000102301_100102525248 [0,2,0,0,0,0|0,1,0]=3 7479 B12R1.7 CCCCNCc1cc(cs1)C 2230a_100015204214_100000210211 [0,2,0,0,0,0|0,1,0]=3 7480 B12R1.7 CCCCNCc1cc(cs1)C 270004a_100000102301_100102525248 [0,2,0,0,0,0|0,1,0]=3 7481 B12R1.7 CCCCNCc1cc(cs1)C 34a_100015204214_100000210210 [0,2,0,0,0,0|0,1,0]=3 7482 B12R1.7 CCCCNCc1cc(cs1)Cl 207a_100000102301_100000102487 [0,2,0,0,0,0|0,1,0]=3 7483 B12R1.7 CCCCNCc1cc(cs1)Cl 270004a_100000102301_100000102487 [0,2,0,0,0,0|0,1,0]=3 7484 B12R1.7 CCCCNCc1cc(cs1)I 207a_100000102301_100010179861 [0,2,0,0,0,0|0,1,0]=3 7485 B12R1.7 CCCCNCc1cc(n[nH]1)C 207a_100000102301_100000028150 [0,2,0,0,0,0|2,0,0]=4 7486 B12R1.7 CCCCNCc1cc(n[nH]1)C 270004a_100000102301_100000028150 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.7 CCCCNCc1cc(no1)Br 2230a_100015193020_100000210211 [0,2,0,0,0,0|1,0,0]=3 7488 B12R1.7 CCCCNCc1cc(no1)Br 270004a_100000102301_100009819588 [0,2,0,0,0,0|1,0,0]=3 7489 B12R1.7 CCCCNCc1cc(no1)Br 34a_100015193020_100000210210 [0,2,0,0,0,0|1,0,0]=3 7490 B12R1.7 CCCCNCc1cc(no1)Br 7a_106832991798_100000709089 [0,2,0,0,0,0|1,0,0]=3 7491 B12R1.7 CCCCNCc1cc(no1)C 207a_100000102301_100011794430 [0,2,0,0,0,0|1,0,0]=3 7492 B12R1.7 CCCCNCc1cc(no1)C 2230a_100000102301_100000707947 [0,2,0,0,0,0|1,0,0]=3 7493 B12R1.7 CCCCNCc1cc(no1)C 2230a_100000745748_100000210211 [0,2,0,0,0,0|1,0,0]=3 7494 B12R1.7 CCCCNCc1cc(no1)C 270004a_100000102301_100011794430 [0,2,0,0,0,0|1,0,0]=3 7495 B12R1.7 CCCCNCc1cc(no1)C 34a_100000745748_100000210210 [0,2,0,0,0,0|1,0,0]=3 7496 B12R1.7 CCCCNCc1cc(no1)C 7a_106832991798_100000707947 [0,2,0,0,0,0|1,0,0]=3 7497 B12R1.7 CCCCNCc1cc(on1)C 207a_100000102301_100011217994 [0,2,0,0,0,0|2,0,0]=4 7498 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000102301_100000199038 [0,2,0,0,0,0|2,0,0]=4 7499 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000745230_100000210211 [0,2,0,0,0,0|2,0,0]=4 7500 B12R1.7 CCCCNCc1cc(on1)C 270004a_100000102301_100011217994 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.7 CCCCNCc1cc(on1)C 34a_100000745230_100000210210 [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.7 CCCCNCc1cc(on1)C 7a_106832991798_100000199038 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.7 CCCCNCc1cc(sn1)C 207a_100000102301_200000100279 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.7 CCCCNCc1cc(sn1)C 270004a_100000102301_200000100279 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.7 CCCCNCc1ccc(o1)Br 207a_100000102301_100000185145 [0,2,0,0,0,0|0,0,0]=2 7506 B12R1.7 CCCCNCc1ccc(o1)Br 270004a_100000102301_100000185145 [0,2,0,0,0,0|0,0,0]=2 7507 B12R1.7 CCCCNCc1ccc(o1)Br 34a_100000708654_100000210210 [0,2,0,0,0,0|0,0,0]=2 7508 B12R1.7 CCCCNCc1ccc(o1)C 207a_100000102301_100000183696 [0,2,0,0,0,0|0,0,0]=2 7509 B12R1.7 CCCCNCc1ccc(o1)C 270004a_100000102301_100000183696 [0,2,0,0,0,0|0,0,0]=2 7510 B12R1.7 CCCCNCc1ccc(o1)C 34a_100011194323_100000210210 [0,2,0,0,0,0|0,0,0]=2 7511 B12R1.7 CCCCNCc1ccc(o1)Cl 207a_100000102301_100000188459 [0,2,0,0,0,0|0,0,0]=2 7512 B12R1.7 CCCCNCc1ccc(o1)Cl 270004a_100000102301_100000188459 [0,2,0,0,0,0|0,0,0]=2 7513 B12R1.7 CCCCNCc1ccc(o1)I 207a_100000102301_100000186757 [0,2,0,0,0,0|0,0,0]=2 7514 B12R1.7 CCCCNCc1ccc(s1)Br 207a_100000102301_100000179771 [0,2,0,0,0,0|0,1,0]=3 7515 B12R1.7 CCCCNCc1ccc(s1)Br 2230a_100000102301_100000708592 [0,2,0,0,0,0|0,1,0]=3 7516 B12R1.7 CCCCNCc1ccc(s1)Br 270004a_100000102301_100000179771 [0,2,0,0,0,0|0,1,0]=3 7517 B12R1.7 CCCCNCc1ccc(s1)Br 7a_106832991798_100000708592 [0,2,0,0,0,0|0,1,0]=3 7518 B12R1.7 CCCCNCc1ccc(s1)C 207a_100000102301_100000211121 [0,2,0,0,0,0|0,1,0]=3 7519 B12R1.7 CCCCNCc1ccc(s1)C 2230a_100000238518_100000210211 [0,2,0,0,0,0|0,1,0]=3 7520 B12R1.7 CCCCNCc1ccc(s1)C 270004a_100000102301_100000211121 [0,2,0,0,0,0|0,1,0]=3 7521 B12R1.7 CCCCNCc1ccc(s1)Cl 207a_100000102301_100000242774 [0,2,0,0,0,0|0,1,0]=3 7522 B12R1.7 CCCCNCc1ccc(s1)Cl 2230a_100000102301_100000185097 [0,2,0,0,0,0|0,1,0]=3 7523 B12R1.7 CCCCNCc1ccc(s1)Cl 2230a_100000737310_100000210211 [0,2,0,0,0,0|0,1,0]=3 7524 B12R1.7 CCCCNCc1ccc(s1)Cl 270004a_100000102301_100000242774 [0,2,0,0,0,0|0,1,0]=3 7525 B12R1.7 CCCCNCc1ccc(s1)Cl 7a_106832991798_100000185097 [0,2,0,0,0,0|0,1,0]=3 7526 B12R1.7 CCCCNCc1ccn(n1)C 207a_100000102301_100000750880 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.7 CCCCNCc1ccn(n1)C 2230a_100000102301_100000726502 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.7 CCCCNCc1ccn(n1)C 2230a_100020636201_100000210211 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.7 CCCCNCc1ccn(n1)C 270004a_100000102301_100000750880 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.7 CCCCNCc1ccn(n1)C 34a_100020636201_100000210210 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.7 CCCCNCc1ccn(n1)C 7a_106832991798_100000726502 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.7 CCCCNCc1cn(cn1)C 207a_100000102301_100000684808 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.7 CCCCNCc1cn(cn1)C 2230a_100000102301_100000717665 [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.7 CCCCNCc1cn(cn1)C 270004a_100000102301_100000684808 [0,2,0,0,0,0|2,0,0]=4 7535 B12R1.7 CCCCNCc1cn(cn1)C 7a_106832991798_100000717665 [0,2,0,0,0,0|2,0,0]=4 7536 B12R1.7 CCCCNCc1cnc(o1)C 207a_100000102301_100000084308 [0,2,0,0,0,0|1,0,0]=3 7537 B12R1.7 CCCCNCc1cnc(o1)C 270004a_100000102301_100000084308 [0,2,0,0,0,0|1,0,0]=3 7538 B12R1.7 CCCCNCc1cnc(s1)Br 2230a_100000102301_100000717027 [0,2,0,0,0,0|1,1,0]=4 7539 B12R1.7 CCCCNCc1cnc(s1)Br 2230a_100000726991_100000210211 [0,2,0,0,0,0|1,1,0]=4 7540 B12R1.7 CCCCNCc1cnc(s1)Br 270004a_100000102301_100009814069 [0,2,0,0,0,0|1,1,0]=4 7541 B12R1.7 CCCCNCc1cnc(s1)Br 7a_106832991798_100000717027 [0,2,0,0,0,0|1,1,0]=4 7542 B12R1.7 CCCCNCc1cnc(s1)C 207a_100000102301_100000740557 [0,2,0,0,0,0|1,1,0]=4 7543 B12R1.7 CCCCNCc1cnc(s1)C 2230a_100000102301_100020635045 [0,2,0,0,0,0|1,1,0]=4 7544 B12R1.7 CCCCNCc1cnc(s1)C 2230a_200000743601_100000210211 [0,2,0,0,0,0|1,1,0]=4 7545 B12R1.7 CCCCNCc1cnc(s1)C 270004a_100000102301_100000740557 [0,2,0,0,0,0|1,1,0]=4 7546 B12R1.7 CCCCNCc1cnc(s1)C 7a_106832991798_100020635045 [0,2,0,0,0,0|1,1,0]=4 7547 B12R1.7 CCCCNCc1cnc(s1)Cl 2230a_100000102301_100000058068 [0,2,0,0,0,0|1,1,0]=4 7548 B12R1.7 CCCCNCc1cnc(s1)Cl 2230a_100000726635_100000210211 [0,2,0,0,0,0|1,1,0]=4 7549 B12R1.7 CCCCNCc1cnc(s1)Cl 270004a_100000102301_100000696999 [0,2,0,0,0,0|1,1,0]=4 7550 B12R1.7 CCCCNCc1cnc(s1)Cl 7a_106832991798_100000058068 [0,2,0,0,0,0|1,1,0]=4 7551 B12R1.7 CCCCNCc1coc(n1)C 207a_100000102301_100011361629 [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.7 CCCCNCc1coc(n1)C 270004a_100000102301_100011361629 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.7 CCCCNCc1csc(c1)Br 207a_100000102301_100000737087 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.7 CCCCNCc1csc(c1)Br 270004a_100000102301_100000737087 [0,2,0,0,0,0|2,0,0]=4 7555 B12R1.7 CCCCNCc1csc(c1)C 207a_100000102301_100011998532 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.7 CCCCNCc1csc(c1)C 270004a_100000102301_100011998532 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.7 CCCCNCc1csc(c1)Cl 207a_100000102301_100009844934 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.7 CCCCNCc1csc(c1)Cl 270004a_100000102301_100009844934 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.7 CCCCNCc1csc(n1)Br 270004a_100000102301_100009816748 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.7 CCCCNCc1csc(n1)C 207a_100000102301_100000203724 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.7 CCCCNCc1csc(n1)C 2230a_100000102301_100015186478 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.7 CCCCNCc1csc(n1)C 270004a_100000102301_100000203724 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.7 CCCCNCc1csc(n1)C 34a_100000707933_100000210210 [0,2,0,0,0,0|2,0,0]=4 7564 B12R1.7 CCCCNCc1csc(n1)C 7a_106832991798_100015186478 [0,2,0,0,0,0|2,0,0]=4 7565 B12R1.7 CCCCNCc1csc(n1)Cl 2230a_100000102301_100000024076 [0,2,0,0,0,0|2,0,0]=4 7566 B12R1.7 CCCCNCc1csc(n1)Cl 270004a_100000102301_100011935135 [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.7 CCCCNCc1csc(n1)Cl 7a_106832991798_100000024076 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.7 CCCCNCc1nc(c[nH]1)C 207a_100000102301_100000082322 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.7 CCCCNCc1nc(c[nH]1)C 270004a_100000102301_100000082322 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.7 CCCCNCc1nc(cs1)Br 270004a_100000102301_100009816814 [0,2,0,0,0,0|1,1,0]=4 7571 B12R1.7 CCCCNCc1nc(cs1)C 207a_100000102301_100000756994 [0,2,0,0,0,0|1,1,0]=4 7572 B12R1.7 CCCCNCc1nc(cs1)C 2230a_100015183719_100000210211 [0,2,0,0,0,0|1,1,0]=4 7573 B12R1.7 CCCCNCc1nc(cs1)C 270004a_100000102301_100000756994 [0,2,0,0,0,0|1,1,0]=4 7574 B12R1.7 CCCCNCc1nc(no1)C 2230a_100000102301_100000735555 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.7 CCCCNCc1nc(no1)C 7a_106832991798_100000735555 [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.7 CCCCNCc1ncc(o1)C 2230a_100138411809_100000210211 [0,2,0,0,0,0|1,0,0]=3 7577 B12R1.7 CCCCNCc1ncc(o1)C 34a_100138411809_100000210210 [0,2,0,0,0,0|1,0,0]=3 7578 B12R1.7 CCCCNCc1ncc(s1)Br 270004a_100000102301_100000699580 [0,2,0,0,0,0|1,1,0]=4 7579 B12R1.7 CCCCNCc1ncc(s1)C 207a_100000102301_100011361622 [0,2,0,0,0,0|1,1,0]=4 7580 B12R1.7 CCCCNCc1ncc(s1)C 270004a_100000102301_100011361622 [0,2,0,0,0,0|1,1,0]=4 7581 B12R1.7 CCCCNCc1ncc(s1)Cl 270004a_100000102301_100000699884 [0,2,0,0,0,0|1,1,0]=4 7582 B12R1.7 CCCCNCc1nnc(o1)C 2230a_100000102301_100000181450 [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.7 CCCCNCc1nnc(o1)C 2230a_200000236979_100000210211 [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.7 CCCCNCc1nnc(o1)C 34a_200000236979_100000210210 [0,2,0,0,0,0|2,0,0]=4 7585 B12R1.7 CCCCNCc1nnc(o1)C 7a_106832991798_100000181450 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.7 CCCCOCc1cc(cs1)Br 34a_100000210227_100000746031 [0,2,0,0,0,0|0,1,0]=3 7588 B12R1.7 CCCCOCc1cc(cs1)Br 34a_100000238369_100000210210 [0,2,0,0,0,0|0,1,0]=3 7589 B12R1.7 CCCCOCc1cc(cs1)Br 7a_100000210227_100000746031 [0,2,0,0,0,0|0,1,0]=3 7590 B12R1.7 CCCCOCc1cc(cs1)Br 7a_100000238369_100000210211 [0,2,0,0,0,0|0,1,0]=3 7591 B12R1.7 CCCCOCc1cc(cs1)C 34a_200000068372_100000210210 [0,2,0,0,0,0|0,1,0]=3 7592 B12R1.7 CCCCOCc1cc(cs1)C 7a_200000068372_100000210211 [0,2,0,0,0,0|0,1,0]=3 7593 B12R1.7 CCCCOCc1cc(no1)Br 34a_100009816691_100000210210 [0,2,0,0,0,0|1,0,0]=3 7594 B12R1.7 CCCCOCc1cc(no1)Br 7a_100000210227_100000709089 [0,2,0,0,0,0|1,0,0]=3 7595 B12R1.7 CCCCOCc1cc(no1)C 34a_100000210227_100000707947 [0,2,0,0,0,0|1,0,0]=3 7596 B12R1.7 CCCCOCc1cc(no1)C 34a_100000684692_100000210210 [0,2,0,0,0,0|1,0,0]=3 7597 B12R1.7 CCCCOCc1cc(no1)C 7a_100000210227_100000707947 [0,2,0,0,0,0|1,0,0]=3 7598 B12R1.7 CCCCOCc1cc(on1)C 34a_100000210227_100000199038 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.7 CCCCOCc1cc(on1)C 34a_100011216401_100000210210 [0,2,0,0,0,0|2,0,0]=4 7600 B12R1.7 CCCCOCc1cc(on1)C 7a_100000210227_100000199038 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.7 CCCCOCc1ccc(o1)Br 34a_100000246276_100000210210 [0,2,0,0,0,0|0,0,0]=2 7602 B12R1.7 CCCCOCc1ccc(o1)Br 7a_100000246276_100000210211 [0,2,0,0,0,0|0,0,0]=2 7603 B12R1.7 CCCCOCc1ccc(o1)C 34a_100011232665_100000210210 [0,2,0,0,0,0|0,0,0]=2 7604 B12R1.7 CCCCOCc1ccc(o1)C 7a_100011232665_100000210211 [0,2,0,0,0,0|0,0,0]=2 7605 B12R1.7 CCCCOCc1ccc(s1)Br 34a_100000210227_100000708592 [0,2,0,0,0,0|0,1,0]=3 7606 B12R1.7 CCCCOCc1ccc(s1)Br 7a_100000210227_100000708592 [0,2,0,0,0,0|0,1,0]=3 7607 B12R1.7 CCCCOCc1ccc(s1)C 34a_100000238367_100000210210 [0,2,0,0,0,0|0,1,0]=3 7608 B12R1.7 CCCCOCc1ccc(s1)Cl 34a_100000210227_100000185097 [0,2,0,0,0,0|0,1,0]=3 7609 B12R1.7 CCCCOCc1ccc(s1)Cl 7a_100000210227_100000185097 [0,2,0,0,0,0|0,1,0]=3 7610 B12R1.7 CCCCOCc1ccn(n1)C 34a_100000210227_100000726502 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.7 CCCCOCc1ccn(n1)C 34a_100000744484_100000210210 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.7 CCCCOCc1ccn(n1)C 7a_100000210227_100000726502 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.7 CCCCOCc1cn(cn1)C 34a_100000210227_100000717665 [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.7 CCCCOCc1cn(cn1)C 34a_100000710007_100000210210 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.7 CCCCOCc1cn(cn1)C 7a_100000210227_100000717665 [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.7 CCCCOCc1cnc(s1)Br 34a_100000210227_100000717027 [0,2,0,0,0,0|1,1,0]=4 7617 B12R1.7 CCCCOCc1cnc(s1)Br 7a_100000210227_100000717027 [0,2,0,0,0,0|1,1,0]=4 7618 B12R1.7 CCCCOCc1cnc(s1)Br 7a_100009816753_100000210211 [0,2,0,0,0,0|1,1,0]=4 7619 B12R1.7 CCCCOCc1cnc(s1)C 34a_100000210227_100020635045 [0,2,0,0,0,0|1,1,0]=4 7620 B12R1.7 CCCCOCc1cnc(s1)C 7a_100000210227_100020635045 [0,2,0,0,0,0|1,1,0]=4 7621 B12R1.7 CCCCOCc1cnc(s1)C 7a_100000743366_100000210211 [0,2,0,0,0,0|1,1,0]=4 7622 B12R1.7 CCCCOCc1cnc(s1)Cl 34a_100000210227_100000058068 [0,2,0,0,0,0|1,1,0]=4 7623 B12R1.7 CCCCOCc1cnc(s1)Cl 7a_100000210227_100000058068 [0,2,0,0,0,0|1,1,0]=4 7624 B12R1.7 CCCCOCc1cnc(s1)Cl 7a_100000697714_100000210211 [0,2,0,0,0,0|1,1,0]=4 7625 B12R1.7 CCCCOCc1cnc(s1)N 7a_100011997359_100000210211 [0,2,0,0,0,0|1,1,0]=4 7626 B12R1.7 CCCCOCc1coc(n1)C 34a_100012017233_100000210210 [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.7 CCCCOCc1csc(c1)Cl 34a_100009863405_100000210210 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.7 CCCCOCc1csc(c1)Cl 7a_100009863405_100000210211 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.7 CCCCOCc1csc(n1)C 34a_100000210227_100015186478 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.7 CCCCOCc1csc(n1)C 34a_100000735831_100000210210 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.7 CCCCOCc1csc(n1)C 7a_100000210227_100015186478 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.7 CCCCOCc1csc(n1)Cl 34a_100000210227_100000024076 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.7 CCCCOCc1csc(n1)Cl 7a_100000210227_100000024076 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.7 CCCCOCc1nc(cs1)Br 7a_100012000107_100000210211 [0,2,0,0,0,0|1,1,0]=4 7635 B12R1.7 CCCCOCc1nc(no1)C 270196a_100000212224_100000757543 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.7 CCCCOCc1nc(no1)C 34a_100000210227_100000735555 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.7 CCCCOCc1nc(no1)C 34a_100000749583_100000210210 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.7 CCCCOCc1nc(no1)C 7a_100000210227_100000735555 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.7 CCCCOCc1nnc(o1)C 34a_100000749586_100000210210 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.7 CCCCOCc1nnc(o1)C 7a_100000210227_100000181450 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.7 CCCCOCn1cc(cn1)Cl 34a_100000732729_100000210210 [0,2,0,0,0,0|2,0,0]=4 7642 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,2,0,0,0,0|2,0,0]=4 7643 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.7 CCCCSCc1cc(cs1)Br 62a_100000210211_100000746031 [0,2,0,0,0,0|0,1,0]=3 7645 B12R1.7 CCCCSCc1cc(cs1)Br 62a_100000746031_100000210210 [0,2,0,0,0,0|0,1,0]=3 7646 B12R1.7 CCCCSCc1cc(no1)Br 62a_100000210211_100000709089 [0,2,0,0,0,0|1,0,0]=3 7647 B12R1.7 CCCCSCc1cc(no1)Br 62a_100000709089_100000210210 [0,2,0,0,0,0|1,0,0]=3 7648 B12R1.7 CCCCSCc1cc(no1)C 62a_100000210211_100000707947 [0,2,0,0,0,0|1,0,0]=3 7649 B12R1.7 CCCCSCc1cc(no1)C 62a_100000707947_100000210210 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.7 CCCCSCc1cc(on1)C 62a_100000199038_100000210210 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.7 CCCCSCc1cc(on1)C 62a_100000210211_100000199038 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.7 CCCCSCc1ccc(s1)Br 62a_100000210211_100000708592 [0,2,0,0,0,0|0,1,0]=3 7653 B12R1.7 CCCCSCc1ccc(s1)Br 62a_100000708592_100000210210 [0,2,0,0,0,0|0,1,0]=3 7654 B12R1.7 CCCCSCc1ccc(s1)Cl 62a_100000185097_100000210210 [0,2,0,0,0,0|0,1,0]=3 7655 B12R1.7 CCCCSCc1ccc(s1)Cl 62a_100000210211_100000185097 [0,2,0,0,0,0|0,1,0]=3 7656 B12R1.7 CCCCSCc1ccn(n1)C 62a_100000210211_100000726502 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.7 CCCCSCc1ccn(n1)C 62a_100000726502_100000210210 [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.7 CCCCSCc1cn(cn1)C 62a_100000210211_100000717665 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.7 CCCCSCc1cn(cn1)C 62a_100000717665_100000210210 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.7 CCCCSCc1cnc(s1)Br 62a_100000210211_100000717027 [0,2,0,0,0,0|1,1,0]=4 7661 B12R1.7 CCCCSCc1cnc(s1)Br 62a_100000717027_100000210210 [0,2,0,0,0,0|1,1,0]=4 7662 B12R1.7 CCCCSCc1cnc(s1)C 62a_100000210211_100020635045 [0,2,0,0,0,0|1,1,0]=4 7663 B12R1.7 CCCCSCc1cnc(s1)C 62a_100020635045_100000210210 [0,2,0,0,0,0|1,1,0]=4 7664 B12R1.7 CCCCSCc1cnc(s1)Cl 62a_100000058068_100000210210 [0,2,0,0,0,0|1,1,0]=4 7665 B12R1.7 CCCCSCc1cnc(s1)Cl 62a_100000210211_100000058068 [0,2,0,0,0,0|1,1,0]=4 7666 B12R1.7 CCCCSCc1csc(n1)C 62a_100000210211_100015186478 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.7 CCCCSCc1csc(n1)C 62a_100015186478_100000210210 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.7 CCCCSCc1csc(n1)Cl 62a_100000024076_100000210210 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.7 CCCCSCc1csc(n1)Cl 62a_100000210211_100000024076 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.7 CCCCSCc1nc(no1)C 270196a_100000212224_100000191162 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.7 CCCCSCc1nc(no1)C 62a_100000210211_100000735555 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.7 CCCCSCc1nc(no1)C 62a_100000735555_100000210210 [0,2,0,0,0,0|2,0,0]=4 7673 B12R1.7 CCCCSCc1nnc(o1)C 62a_100000181450_100000210210 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.7 CCCCSCc1nnc(o1)C 62a_100000210211_100000181450 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [0,2,0,0,0,0|0,0,0]=2 7676 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [0,2,0,0,0,0|0,0,0]=2 7677 B12R1.7 CCCNCCc1ccc(s1)Br 2230a_100000217605_100000210303 [0,2,0,0,0,0|0,1,0]=3 7678 B12R1.7 CCCNCCc1csc(n1)C 2230a_102495365028_100000210303 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.7 CCCNCCc1csc(n1)C 34a_102495365028_100000210303 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.7 CCCNCCc1nc(cs1)C 2230a_100000736835_100000210303 [0,2,0,0,0,0|1,1,0]=4 7681 B12R1.7 CCCNCCc1nc(no1)C 34a_100000747544_100000210303 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.7 CCCNCCn1cc(cn1)Br 2230a_100000730845_100000210303 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.7 CCCNCCn1cc(cn1)Br 34a_100000730845_100000210303 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.7 CCCNCCn1cc(cn1)Cl 34a_200000238484_100000210303 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.7 CCCNN=Cc1cc(co1)Br 4a_100000740057_100000747035 [0,2,0,0,0,0|1,0,1]=4 7686 B12R1.7 CCCNN=Cc1ccc(o1)Br 4a_100000740057_100000185145 [0,2,0,0,0,0|1,0,1]=4 7687 B12R1.7 CCCNN=Cc1ccc(o1)C 4a_100000740057_100000183696 [0,2,0,0,0,0|1,0,1]=4 7688 B12R1.7 CCCNN=Cc1ccc(o1)Cl 4a_100000740057_100000188459 [0,2,0,0,0,0|1,0,1]=4 7689 B12R1.7 CCCNN=Cc1ccc(o1)I 4a_100000740057_100000186757 [0,2,0,0,0,0|1,0,1]=4 7690 B12R1.7 CCCOCCc1cc(no1)Br 34a_100009816916_100000210303 [0,2,0,0,0,0|1,0,0]=3 7691 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [0,2,0,0,0,0|0,0,0]=2 7692 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [0,2,0,0,0,0|0,0,0]=2 7693 B12R1.7 CCCOCCc1cnc(s1)N 7a_100000124125_100000210303 [0,2,0,0,0,0|1,1,0]=4 7694 B12R1.7 CCCOCCc1csc(n1)C 34a_100000210258_100000695623 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.7 CCCOCCc1csc(n1)C 34a_100011934828_100000210303 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.7 CCCOCCn1cc(cn1)Br 34a_100011236722_100000210303 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.7 CCCOCCn1cc(cn1)C 34a_100011363705_100000210303 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.7 CCCOCCn1cc(cn1)Cl 34a_100011398116_100000210303 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.7 CCCOCCn1cc(cn1)I 34a_100012072722_100000210303 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.7 CCCOCCn1cc(cn1)N 34a_100000743930_100000210303 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.7 CCCOCCn1ccc(n1)Br 34a_200010732121_100000210303 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.7 CCCOCCn1ccc(n1)N 34a_100000752724_100000210303 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.7 CCCSCCc1csc(n1)C 62a_100000210303_100000695623 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.7 CCCSCCc1csc(n1)C 62a_100000695623_100000210303 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.7 CCCSCCn1cc(cn1)Cl 62a_100000210303_100011353933 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.7 CCCSCCn1cc(cn1)Cl 62a_100011353933_100000210303 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.7 CCCSCCn1ccc(n1)C 62a_100000210303_200011934056 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.7 CCCSCCn1ccc(n1)C 62a_200011934056_100000210303 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.7 CCNCCCc1nc(cs1)C 2230a_100000749783_100000210202 [0,2,0,0,0,0|1,1,0]=4 7710 B12R1.7 CCNCCCc1nc(no1)C 34a_100000750606_100000210202 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.7 CCNCCCn1cc(cn1)C 2230a_100000748464_100000210202 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.7 CCNCCCn1cc(cn1)C 2230a_100015525214_200015186932 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.7 CCNCCCn1cc(cn1)C 34a_100000748464_100000210202 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.7 CCNCCCn1cc(cn1)Cl 34a_100011353932_100000210202 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.7 CCOCCCn1cc(cn1)Br 34a_100011398341_100000210202 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.7 CCOCCSc1cc(cs1)C 62a_100000210147_100009876951 [0,2,0,0,0,0|1,1,0]=4 7717 B12R1.7 CCOCCSc1cc(cs1)C 62a_100009876951_100011215890 [0,2,0,0,0,0|1,1,0]=4 7718 B12R1.7 CCOCCSc1ccc(s1)Br 62a_100000210147_100010197418 [0,2,0,0,0,0|1,1,0]=4 7719 B12R1.7 CCOCCSc1ccc(s1)Br 62a_100010197418_100011215890 [0,2,0,0,0,0|1,1,0]=4 7720 B12R1.7 CCOCCSc1ccc(s1)C 62a_100000031368_100011215890 [0,2,0,0,0,0|1,1,0]=4 7721 B12R1.7 CCOCCSc1ccc(s1)C 62a_100000210147_100000031368 [0,2,0,0,0,0|1,1,0]=4 7722 B12R1.7 CCOCSCc1cc(cs1)Br 62a_100000739092_100000746031 [0,2,0,0,0,0|1,1,0]=4 7723 B12R1.7 CCOCSCc1cc(cs1)Br 62a_100000746031_100000739092 [0,2,0,0,0,0|1,1,0]=4 7724 B12R1.7 CCOCSCc1cc(no1)Br 62a_100000709089_100000739092 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.7 CCOCSCc1cc(no1)Br 62a_100000739092_100000709089 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.7 CCOCSCc1cc(no1)C 62a_100000707947_100000739092 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.7 CCOCSCc1cc(no1)C 62a_100000739092_100000707947 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.7 CCOCSCc1ccc(s1)Br 62a_100000708592_100000739092 [0,2,0,0,0,0|1,1,0]=4 7729 B12R1.7 CCOCSCc1ccc(s1)Br 62a_100000739092_100000708592 [0,2,0,0,0,0|1,1,0]=4 7730 B12R1.7 CCOCSCc1ccc(s1)Cl 62a_100000185097_100000739092 [0,2,0,0,0,0|1,1,0]=4 7731 B12R1.7 CCOCSCc1ccc(s1)Cl 62a_100000739092_100000185097 [0,2,0,0,0,0|1,1,0]=4 7732 B12R1.7 CCSCCCn1cc(cn1)C 62a_100000210202_200015186932 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.7 CCSCCCn1cc(cn1)C 62a_200015186932_100000210202 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.7 CCSCCSc1cc(cs1)C 62a_100000757381_100009876951 [0,2,0,0,0,0|1,1,0]=4 7735 B12R1.7 CCSCCSc1cc(cs1)C 62a_100009876951_100000757381 [0,2,0,0,0,0|1,1,0]=4 7736 B12R1.7 CCSCCSc1ccc(s1)Br 62a_100000757381_100010197418 [0,2,0,0,0,0|1,1,0]=4 7737 B12R1.7 CCSCCSc1ccc(s1)Br 62a_100010197418_100000757381 [0,2,0,0,0,0|1,1,0]=4 7738 B12R1.7 CCSCCSc1ccc(s1)C 62a_100000031368_100000757381 [0,2,0,0,0,0|1,1,0]=4 7739 B12R1.7 CCSCCSc1ccc(s1)C 62a_100000757381_100000031368 [0,2,0,0,0,0|1,1,0]=4 7740 B12R1.7 CNCCSCc1ccc(s1)Br 2230a_100000198568_200000210301 [0,2,0,0,0,0|1,1,0]=4 7741 B12R1.7 CNCCSCc1ccc(s1)Br 7a_100000198568_200000210301 [0,2,0,0,0,0|1,1,0]=4 7742 B12R1.7 COCCCSc1cc(cs1)C 62a_100000709357_100009876951 [0,2,0,0,0,0|1,1,0]=4 7743 B12R1.7 COCCCSc1cc(cs1)C 62a_100009876951_100000709357 [0,2,0,0,0,0|1,1,0]=4 7744 B12R1.7 COCCCSc1ccc(s1)Br 62a_100000709357_100010197418 [0,2,0,0,0,0|1,1,0]=4 7745 B12R1.7 COCCCSc1ccc(s1)Br 62a_100010197418_100000709357 [0,2,0,0,0,0|1,1,0]=4 7746 B12R1.7 COCCCSc1ccc(s1)C 62a_100000031368_100000709357 [0,2,0,0,0,0|1,1,0]=4 7747 B12R1.7 COCCCSc1ccc(s1)C 62a_100000709357_100000031368 [0,2,0,0,0,0|1,1,0]=4 7748 B12R1.7 COCCNCc1cc(c[nH]1)Br 270004a_100000209980_100000720742 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.7 COCCNCc1cc(co1)Br 270004a_100000209980_100000747035 [0,2,0,0,0,0|1,0,0]=3 7750 B12R1.7 COCCNCc1cc(cs1)Br 207a_100000209980_100000211722 [0,2,0,0,0,0|1,1,0]=4 7751 B12R1.7 COCCNCc1cc(cs1)Br 2230a_100000209980_100000746031 [0,2,0,0,0,0|1,1,0]=4 7752 B12R1.7 COCCNCc1cc(cs1)Br 2230a_100000741024_100011201679 [0,2,0,0,0,0|1,1,0]=4 7753 B12R1.7 COCCNCc1cc(cs1)Br 270004a_100000209980_100000211722 [0,2,0,0,0,0|1,1,0]=4 7754 B12R1.7 COCCNCc1cc(cs1)Br 34a_100000741024_100011201679 [0,2,0,0,0,0|1,1,0]=4 7755 B12R1.7 COCCNCc1cc(cs1)C 207a_100000209980_100102525248 [0,2,0,0,0,0|1,1,0]=4 7756 B12R1.7 COCCNCc1cc(cs1)C 2230a_100015204214_100011201679 [0,2,0,0,0,0|1,1,0]=4 7757 B12R1.7 COCCNCc1cc(cs1)C 270004a_100000209980_100102525248 [0,2,0,0,0,0|1,1,0]=4 7758 B12R1.7 COCCNCc1cc(cs1)C 34a_100015204214_100011201679 [0,2,0,0,0,0|1,1,0]=4 7759 B12R1.7 COCCNCc1cc(cs1)Cl 207a_100000209980_100000102487 [0,2,0,0,0,0|1,1,0]=4 7760 B12R1.7 COCCNCc1cc(cs1)Cl 270004a_100000209980_100000102487 [0,2,0,0,0,0|1,1,0]=4 7761 B12R1.7 COCCNCc1cc(cs1)I 207a_100000209980_100010179861 [0,2,0,0,0,0|1,1,0]=4 7762 B12R1.7 COCCNCc1cc(no1)Br 2230a_100015193020_100011201679 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.7 COCCNCc1cc(no1)Br 270004a_100000209980_100009819588 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.7 COCCNCc1cc(no1)Br 34a_100015193020_100011201679 [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.7 COCCNCc1cc(no1)C 207a_100000209980_100011794430 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.7 COCCNCc1cc(no1)C 2230a_100000209980_100000707947 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.7 COCCNCc1cc(no1)C 2230a_100000745748_100011201679 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.7 COCCNCc1cc(no1)C 270004a_100000209980_100011794430 [0,2,0,0,0,0|2,0,0]=4 7769 B12R1.7 COCCNCc1cc(no1)C 34a_100000745748_100011201679 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.7 COCCNCc1ccc(o1)Br 207a_100000209980_100000185145 [0,2,0,0,0,0|1,0,0]=3 7771 B12R1.7 COCCNCc1ccc(o1)Br 270004a_100000209980_100000185145 [0,2,0,0,0,0|1,0,0]=3 7772 B12R1.7 COCCNCc1ccc(o1)Br 34a_100000708654_100011201679 [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.7 COCCNCc1ccc(o1)C 207a_100000209980_100000183696 [0,2,0,0,0,0|1,0,0]=3 7774 B12R1.7 COCCNCc1ccc(o1)C 270004a_100000209980_100000183696 [0,2,0,0,0,0|1,0,0]=3 7775 B12R1.7 COCCNCc1ccc(o1)C 34a_100011194323_100011201679 [0,2,0,0,0,0|1,0,0]=3 7776 B12R1.7 COCCNCc1ccc(o1)Cl 207a_100000209980_100000188459 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.7 COCCNCc1ccc(o1)Cl 270004a_100000209980_100000188459 [0,2,0,0,0,0|1,0,0]=3 7778 B12R1.7 COCCNCc1ccc(o1)I 207a_100000209980_100000186757 [0,2,0,0,0,0|1,0,0]=3 7779 B12R1.7 COCCNCc1ccc(s1)Br 207a_100000209980_100000179771 [0,2,0,0,0,0|1,1,0]=4 7780 B12R1.7 COCCNCc1ccc(s1)Br 2230a_100000209980_100000708592 [0,2,0,0,0,0|1,1,0]=4 7781 B12R1.7 COCCNCc1ccc(s1)Br 270004a_100000209980_100000179771 [0,2,0,0,0,0|1,1,0]=4 7782 B12R1.7 COCCNCc1ccc(s1)C 207a_100000209980_100000211121 [0,2,0,0,0,0|1,1,0]=4 7783 B12R1.7 COCCNCc1ccc(s1)C 2230a_100000238518_100011201679 [0,2,0,0,0,0|1,1,0]=4 7784 B12R1.7 COCCNCc1ccc(s1)C 270004a_100000209980_100000211121 [0,2,0,0,0,0|1,1,0]=4 7785 B12R1.7 COCCNCc1ccc(s1)Cl 207a_100000209980_100000242774 [0,2,0,0,0,0|1,1,0]=4 7786 B12R1.7 COCCNCc1ccc(s1)Cl 2230a_100000209980_100000185097 [0,2,0,0,0,0|1,1,0]=4 7787 B12R1.7 COCCNCc1ccc(s1)Cl 2230a_100000737310_100011201679 [0,2,0,0,0,0|1,1,0]=4 7788 B12R1.7 COCCNCc1ccc(s1)Cl 270004a_100000209980_100000242774 [0,2,0,0,0,0|1,1,0]=4 7789 B12R1.7 COCCNCc1cnc(o1)C 207a_100000209980_100000084308 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.7 COCCNCc1cnc(o1)C 270004a_100000209980_100000084308 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.7 COCCNCc1ncc(o1)C 2230a_100138411809_100011201679 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.7 COCCNCc1ncc(o1)C 34a_100138411809_100011201679 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.7 COCCOCc1cc(cs1)Br 34a_100000210237_100000746031 [0,2,0,0,0,0|1,1,0]=4 7794 B12R1.7 COCCOCc1cc(cs1)Br 34a_100000238369_100011201679 [0,2,0,0,0,0|1,1,0]=4 7795 B12R1.7 COCCOCc1cc(cs1)Br 7a_100000238369_100000233755 [0,2,0,0,0,0|1,1,0]=4 7796 B12R1.7 COCCOCc1cc(cs1)C 34a_200000068372_100011201679 [0,2,0,0,0,0|1,1,0]=4 7797 B12R1.7 COCCOCc1cc(cs1)C 7a_200000068372_100000233755 [0,2,0,0,0,0|1,1,0]=4 7798 B12R1.7 COCCOCc1cc(no1)Br 34a_100009816691_100011201679 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.7 COCCOCc1cc(no1)C 34a_100000210237_100000707947 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.7 COCCOCc1cc(no1)C 34a_100000684692_100011201679 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.7 COCCOCc1ccc(o1)Br 34a_100000246276_100011201679 [0,2,0,0,0,0|1,0,0]=3 7802 B12R1.7 COCCOCc1ccc(o1)Br 7a_100000246276_100000233755 [0,2,0,0,0,0|1,0,0]=3 7803 B12R1.7 COCCOCc1ccc(o1)C 34a_100011232665_100011201679 [0,2,0,0,0,0|1,0,0]=3 7804 B12R1.7 COCCOCc1ccc(o1)C 7a_100011232665_100000233755 [0,2,0,0,0,0|1,0,0]=3 7805 B12R1.7 COCCOCc1ccc(s1)Br 34a_100000210237_100000708592 [0,2,0,0,0,0|1,1,0]=4 7806 B12R1.7 COCCOCc1ccc(s1)C 34a_100000238367_100011201679 [0,2,0,0,0,0|1,1,0]=4 7807 B12R1.7 COCCOCc1ccc(s1)Cl 34a_100000210237_100000185097 [0,2,0,0,0,0|1,1,0]=4 7808 B12R1.7 COCCSCc1cc(cs1)Br 62a_100000233755_100000746031 [0,2,0,0,0,0|1,1,0]=4 7809 B12R1.7 COCCSCc1cc(cs1)Br 62a_100000746031_100000233755 [0,2,0,0,0,0|1,1,0]=4 7810 B12R1.7 COCCSCc1cc(no1)Br 62a_100000233755_100000709089 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.7 COCCSCc1cc(no1)Br 62a_100000709089_100000233755 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.7 COCCSCc1cc(no1)C 62a_100000233755_100000707947 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.7 COCCSCc1cc(no1)C 62a_100000707947_100000233755 [0,2,0,0,0,0|2,0,0]=4 7814 B12R1.7 COCCSCc1ccc(s1)Br 62a_100000233755_100000708592 [0,2,0,0,0,0|1,1,0]=4 7815 B12R1.7 COCCSCc1ccc(s1)Br 62a_100000708592_100000233755 [0,2,0,0,0,0|1,1,0]=4 7816 B12R1.7 COCCSCc1ccc(s1)Cl 62a_100000185097_100000233755 [0,2,0,0,0,0|1,1,0]=4 7817 B12R1.7 COCCSCc1ccc(s1)Cl 62a_100000233755_100000185097 [0,2,0,0,0,0|1,1,0]=4 7818 B12R1.7 COCNCCc1ccc(o1)C 2230a_100000739271_100000766300 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.7 COCNCCc1ccc(s1)Br 2230a_100000217605_100000766300 [0,2,0,0,0,0|1,1,0]=4 7820 B12R1.7 CSCCNCc1cc(c[nH]1)Br 270004a_100020590264_100000720742 [0,2,0,0,0,0|2,0,0]=4 7821 B12R1.7 CSCCNCc1cc(co1)Br 270004a_100020590264_100000747035 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.7 CSCCNCc1cc(cs1)Br 207a_100020590264_100000211722 [0,2,0,0,0,0|1,1,0]=4 7823 B12R1.7 CSCCNCc1cc(cs1)Br 2230a_100000741024_100000751147 [0,2,0,0,0,0|1,1,0]=4 7824 B12R1.7 CSCCNCc1cc(cs1)Br 2230a_100020590264_100000746031 [0,2,0,0,0,0|1,1,0]=4 7825 B12R1.7 CSCCNCc1cc(cs1)Br 270004a_100020590264_100000211722 [0,2,0,0,0,0|1,1,0]=4 7826 B12R1.7 CSCCNCc1cc(cs1)Br 34a_100000741024_100000212216 [0,2,0,0,0,0|1,1,0]=4 7827 B12R1.7 CSCCNCc1cc(cs1)C 207a_100020590264_100102525248 [0,2,0,0,0,0|1,1,0]=4 7828 B12R1.7 CSCCNCc1cc(cs1)C 2230a_100015204214_100000751147 [0,2,0,0,0,0|1,1,0]=4 7829 B12R1.7 CSCCNCc1cc(cs1)C 270004a_100020590264_100102525248 [0,2,0,0,0,0|1,1,0]=4 7830 B12R1.7 CSCCNCc1cc(cs1)C 34a_100015204214_100000212216 [0,2,0,0,0,0|1,1,0]=4 7831 B12R1.7 CSCCNCc1cc(cs1)Cl 207a_100020590264_100000102487 [0,2,0,0,0,0|1,1,0]=4 7832 B12R1.7 CSCCNCc1cc(cs1)Cl 270004a_100020590264_100000102487 [0,2,0,0,0,0|1,1,0]=4 7833 B12R1.7 CSCCNCc1cc(cs1)I 207a_100020590264_100010179861 [0,2,0,0,0,0|1,1,0]=4 7834 B12R1.7 CSCCNCc1cc(no1)Br 2230a_100015193020_100000751147 [0,2,0,0,0,0|2,0,0]=4 7835 B12R1.7 CSCCNCc1cc(no1)Br 270004a_100020590264_100009819588 [0,2,0,0,0,0|2,0,0]=4 7836 B12R1.7 CSCCNCc1cc(no1)Br 34a_100015193020_100000212216 [0,2,0,0,0,0|2,0,0]=4 7837 B12R1.7 CSCCNCc1cc(no1)C 207a_100020590264_100011794430 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.7 CSCCNCc1cc(no1)C 2230a_100000745748_100000751147 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.7 CSCCNCc1cc(no1)C 2230a_100020590264_100000707947 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.7 CSCCNCc1cc(no1)C 270004a_100020590264_100011794430 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.7 CSCCNCc1cc(no1)C 34a_100000745748_100000212216 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.7 CSCCNCc1ccc(o1)Br 207a_100020590264_100000185145 [0,2,0,0,0,0|1,0,0]=3 7843 B12R1.7 CSCCNCc1ccc(o1)Br 270004a_100020590264_100000185145 [0,2,0,0,0,0|1,0,0]=3 7844 B12R1.7 CSCCNCc1ccc(o1)Br 34a_100000708654_100000212216 [0,2,0,0,0,0|1,0,0]=3 7845 B12R1.7 CSCCNCc1ccc(o1)C 207a_100020590264_100000183696 [0,2,0,0,0,0|1,0,0]=3 7846 B12R1.7 CSCCNCc1ccc(o1)C 270004a_100020590264_100000183696 [0,2,0,0,0,0|1,0,0]=3 7847 B12R1.7 CSCCNCc1ccc(o1)C 34a_100011194323_100000212216 [0,2,0,0,0,0|1,0,0]=3 7848 B12R1.7 CSCCNCc1ccc(o1)Cl 207a_100020590264_100000188459 [0,2,0,0,0,0|1,0,0]=3 7849 B12R1.7 CSCCNCc1ccc(o1)Cl 270004a_100020590264_100000188459 [0,2,0,0,0,0|1,0,0]=3 7850 B12R1.7 CSCCNCc1ccc(o1)I 207a_100020590264_100000186757 [0,2,0,0,0,0|1,0,0]=3 7851 B12R1.7 CSCCNCc1ccc(s1)Br 207a_100020590264_100000179771 [0,2,0,0,0,0|1,1,0]=4 7852 B12R1.7 CSCCNCc1ccc(s1)Br 2230a_100020590264_100000708592 [0,2,0,0,0,0|1,1,0]=4 7853 B12R1.7 CSCCNCc1ccc(s1)Br 270004a_100020590264_100000179771 [0,2,0,0,0,0|1,1,0]=4 7854 B12R1.7 CSCCNCc1ccc(s1)C 207a_100020590264_100000211121 [0,2,0,0,0,0|1,1,0]=4 7855 B12R1.7 CSCCNCc1ccc(s1)C 2230a_100000238518_100000751147 [0,2,0,0,0,0|1,1,0]=4 7856 B12R1.7 CSCCNCc1ccc(s1)C 270004a_100020590264_100000211121 [0,2,0,0,0,0|1,1,0]=4 7857 B12R1.7 CSCCNCc1ccc(s1)Cl 207a_100020590264_100000242774 [0,2,0,0,0,0|1,1,0]=4 7858 B12R1.7 CSCCNCc1ccc(s1)Cl 2230a_100000737310_100000751147 [0,2,0,0,0,0|1,1,0]=4 7859 B12R1.7 CSCCNCc1ccc(s1)Cl 2230a_100020590264_100000185097 [0,2,0,0,0,0|1,1,0]=4 7860 B12R1.7 CSCCNCc1ccc(s1)Cl 270004a_100020590264_100000242774 [0,2,0,0,0,0|1,1,0]=4 7861 B12R1.7 CSCCNCc1cnc(o1)C 207a_100020590264_100000084308 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.7 CSCCNCc1cnc(o1)C 270004a_100020590264_100000084308 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.7 CSCCNCc1ncc(o1)C 2230a_100138411809_100000751147 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.7 CSCCNCc1ncc(o1)C 34a_100138411809_100000212216 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.7 CSCCOCc1cc(cs1)Br 34a_100000230434_100000746031 [0,2,0,0,0,0|1,1,0]=4 7866 B12R1.7 CSCCOCc1cc(cs1)Br 34a_100000238369_100000212216 [0,2,0,0,0,0|1,1,0]=4 7867 B12R1.7 CSCCOCc1cc(cs1)Br 7a_100000230434_100000746031 [0,2,0,0,0,0|1,1,0]=4 7868 B12R1.7 CSCCOCc1cc(cs1)Br 7a_100000238369_100000212216 [0,2,0,0,0,0|1,1,0]=4 7869 B12R1.7 CSCCOCc1cc(cs1)C 34a_200000068372_100000212216 [0,2,0,0,0,0|1,1,0]=4 7870 B12R1.7 CSCCOCc1cc(cs1)C 7a_200000068372_100000212216 [0,2,0,0,0,0|1,1,0]=4 7871 B12R1.7 CSCCOCc1cc(no1)Br 34a_100009816691_100000212216 [0,2,0,0,0,0|2,0,0]=4 7872 B12R1.7 CSCCOCc1cc(no1)Br 7a_100000230434_100000709089 [0,2,0,0,0,0|2,0,0]=4 7873 B12R1.7 CSCCOCc1cc(no1)C 34a_100000230434_100000707947 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.7 CSCCOCc1cc(no1)C 34a_100000684692_100000212216 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.7 CSCCOCc1cc(no1)C 7a_100000230434_100000707947 [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.7 CSCCOCc1ccc(o1)Br 34a_100000246276_100000212216 [0,2,0,0,0,0|1,0,0]=3 7877 B12R1.7 CSCCOCc1ccc(o1)Br 7a_100000246276_100000212216 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.7 CSCCOCc1ccc(o1)C 34a_100011232665_100000212216 [0,2,0,0,0,0|1,0,0]=3 7879 B12R1.7 CSCCOCc1ccc(o1)C 7a_100011232665_100000212216 [0,2,0,0,0,0|1,0,0]=3 7880 B12R1.7 CSCCOCc1ccc(s1)Br 34a_100000230434_100000708592 [0,2,0,0,0,0|1,1,0]=4 7881 B12R1.7 CSCCOCc1ccc(s1)Br 7a_100000230434_100000708592 [0,2,0,0,0,0|1,1,0]=4 7882 B12R1.7 CSCCOCc1ccc(s1)C 34a_100000238367_100000212216 [0,2,0,0,0,0|1,1,0]=4 7883 B12R1.7 CSCCOCc1ccc(s1)Cl 34a_100000230434_100000185097 [0,2,0,0,0,0|1,1,0]=4 7884 B12R1.7 CSCCOCc1ccc(s1)Cl 7a_100000230434_100000185097 [0,2,0,0,0,0|1,1,0]=4 7885 B12R1.7 CSCCSCc1cc(cs1)Br 62a_100000212216_100000746031 [0,2,0,0,0,0|1,1,0]=4 7886 B12R1.7 CSCCSCc1cc(cs1)Br 62a_100000746031_100000751147 [0,2,0,0,0,0|1,1,0]=4 7887 B12R1.7 CSCCSCc1cc(no1)Br 62a_100000212216_100000709089 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.7 CSCCSCc1cc(no1)Br 62a_100000709089_100000751147 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.7 CSCCSCc1cc(no1)C 62a_100000212216_100000707947 [0,2,0,0,0,0|2,0,0]=4 7890 B12R1.7 CSCCSCc1cc(no1)C 62a_100000707947_100000751147 [0,2,0,0,0,0|2,0,0]=4 7891 B12R1.7 CSCCSCc1ccc(s1)Br 62a_100000212216_100000708592 [0,2,0,0,0,0|1,1,0]=4 7892 B12R1.7 CSCCSCc1ccc(s1)Br 62a_100000708592_100000751147 [0,2,0,0,0,0|1,1,0]=4 7893 B12R1.7 CSCCSCc1ccc(s1)Cl 62a_100000185097_100000751147 [0,2,0,0,0,0|1,1,0]=4 7894 B12R1.7 CSCCSCc1ccc(s1)Cl 62a_100000212216_100000185097 [0,2,0,0,0,0|1,1,0]=4 7895 B12R1.7 CSCNCCc1ccc(o1)C 2230a_100000739271_100011218213 [0,2,0,0,0,0|1,0,0]=3 7896 B12R1.7 CSCNCCc1ccc(o1)C 34a_100000739271_100011218213 [0,2,0,0,0,0|1,0,0]=3 7897 B12R1.7 CSCNCCc1ccc(s1)Br 2230a_100000217605_100011218213 [0,2,0,0,0,0|1,1,0]=4 7898 B12R1.7 CSCOCCc1cc(no1)Br 34a_100009816916_100011218213 [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.7 CSCOCCc1ccc(o1)C 34a_100012161071_100011218213 [0,2,0,0,0,0|1,0,0]=3 7900 B12R1.7 Cc1cc(on1)CNCCCF 207a_100015189416_100011794430 [0,2,0,0,0,0|2,0,0]=4 7901 B12R1.7 Cc1cc(on1)CNCCCF 2230a_100000745748_100011934791 [0,2,0,0,0,0|2,0,0]=4 7902 B12R1.7 Cc1cc(on1)CNCCCF 2230a_100015189416_100000707947 [0,2,0,0,0,0|2,0,0]=4 7903 B12R1.7 Cc1cc(on1)CNCCCF 270004a_100015189416_100011794430 [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.7 Cc1cc(on1)CNCCCF 34a_100000745748_100011934791 [0,2,0,0,0,0|2,0,0]=4 7905 B12R1.7 Cc1cc(on1)CNCCCF 34a_100015189416_100000707947 [0,2,0,0,0,0|2,0,0]=4 7906 B12R1.7 Cc1cc(on1)CNCCCO 207a_100000182051_100011794430 [0,2,0,0,0,0|2,0,0]=4 7907 B12R1.7 Cc1cc(on1)CNCCCO 2230a_100000745748_100000230001 [0,2,0,0,0,0|2,0,0]=4 7908 B12R1.7 Cc1cc(on1)CNCCCO 270004a_100000182051_100011794430 [0,2,0,0,0,0|2,0,0]=4 7909 B12R1.7 Cc1cc(on1)CNCCCO 34a_100000745748_100000230001 [0,2,0,0,0,0|2,0,0]=4 7910 B12R1.7 Cc1cc(on1)COCCCBr 34a_100011217188_100000707947 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.7 Cc1cc(on1)COCCCCl 34a_100000230001_100000707947 [0,2,0,0,0,0|2,0,0]=4 7912 B12R1.7 Cc1cc(on1)COCCCF 34a_100000684692_100011934791 [0,2,0,0,0,0|2,0,0]=4 7913 B12R1.7 Cc1cc(on1)COCCCF 34a_100000759539_100000707947 [0,2,0,0,0,0|2,0,0]=4 7914 B12R1.7 Cc1cc(on1)COCCCN 34a_100000182051_100000707947 [0,2,0,0,0,0|2,0,0]=4 7915 B12R1.7 Cc1cc(on1)COCCCO 34a_100000684692_100000230001 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.7 Cc1cc(on1)CSCCCF 62a_100000707947_100011934791 [0,2,0,0,0,0|2,0,0]=4 7917 B12R1.7 Cc1cc(on1)CSCCCF 62a_100011934791_100000707947 [0,2,0,0,0,0|2,0,0]=4 7918 B12R1.7 Cc1cc(on1)CSCCCO 62a_100000707947_100011215043 [0,2,0,0,0,0|2,0,0]=4 7919 B12R1.7 Cc1cc(on1)CSCCCO 62a_100011215043_100000707947 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.7 Cc1ccc(o1)CCNCC#N 2230a_100000739271_100011215382 [0,2,0,0,0,0|1,0,1]=4 7921 B12R1.7 Cc1ccc(o1)CCNCC=O 2230a_100000739271_200015260668 [0,2,0,0,0,0|1,0,1]=4 7922 B12R1.7 Cc1ccc(o1)CCNCC=O 34a_100000739271_200009817547 [0,2,0,0,0,0|1,0,1]=4 7923 B12R1.7 Cc1ccc(o1)CCNCCF 2230a_100000739271_100011217306 [0,2,0,0,0,0|1,0,0]=3 7924 B12R1.7 Cc1ccc(o1)CCNCCF 34a_100000739271_100011217306 [0,2,0,0,0,0|1,0,0]=3 7925 B12R1.7 Cc1ccc(o1)CCNCCO 2230a_100000739271_100000211926 [0,2,0,0,0,0|1,0,0]=3 7926 B12R1.7 Cc1ccc(o1)CCNCCO 34a_100000739271_100000211926 [0,2,0,0,0,0|1,0,0]=3 7927 B12R1.7 Cc1ccc(o1)CCOCC#N 7a_100012161071_100011215382 [0,2,0,0,0,0|1,0,1]=4 7928 B12R1.7 Cc1ccc(o1)CCOCC=O 34a_100012161071_200009817547 [0,2,0,0,0,0|1,0,1]=4 7929 B12R1.7 Cc1ccc(o1)CCOCC=O 7a_100012161071_200015260668 [0,2,0,0,0,0|1,0,1]=4 7930 B12R1.7 Cc1ccc(o1)CCOCCF 34a_100012161071_100011217306 [0,2,0,0,0,0|1,0,0]=3 7931 B12R1.7 Cc1ccc(o1)CCOCCF 7a_100012161071_100011217306 [0,2,0,0,0,0|1,0,0]=3 7932 B12R1.7 Cc1ccc(o1)CCOCCO 34a_100012161071_100000211926 [0,2,0,0,0,0|1,0,0]=3 7933 B12R1.7 Cc1ccc(o1)CCOCCO 7a_100012161071_100000211926 [0,2,0,0,0,0|1,0,0]=3 7934 B12R1.7 Cc1ccc(o1)CNCCC#N 270004a_100000720768_100000183696 [0,2,0,0,0,0|1,0,1]=4 7935 B12R1.7 Cc1ccc(o1)CNCCCF 207a_100015189416_100000183696 [0,2,0,0,0,0|1,0,0]=3 7936 B12R1.7 Cc1ccc(o1)CNCCCF 270004a_100015189416_100000183696 [0,2,0,0,0,0|1,0,0]=3 7937 B12R1.7 Cc1ccc(o1)CNCCCF 34a_100011194323_100011934791 [0,2,0,0,0,0|1,0,0]=3 7938 B12R1.7 Cc1ccc(o1)CNCCCO 207a_100000182051_100000183696 [0,2,0,0,0,0|1,0,0]=3 7939 B12R1.7 Cc1ccc(o1)CNCCCO 270004a_100000182051_100000183696 [0,2,0,0,0,0|1,0,0]=3 7940 B12R1.7 Cc1ccc(o1)CNCCCO 34a_100011194323_100000230001 [0,2,0,0,0,0|1,0,0]=3 7941 B12R1.7 Cc1ccc(o1)COCCC#N 7a_100011232665_100000184422 [0,2,0,0,0,0|1,0,1]=4 7942 B12R1.7 Cc1ccc(o1)COCCCF 34a_100011232665_100011934791 [0,2,0,0,0,0|1,0,0]=3 7943 B12R1.7 Cc1ccc(o1)COCCCF 7a_100011232665_100011934791 [0,2,0,0,0,0|1,0,0]=3 7944 B12R1.7 Cc1ccc(o1)COCCCO 34a_100011232665_100000230001 [0,2,0,0,0,0|1,0,0]=3 7945 B12R1.7 Cc1ccc(o1)COCCCO 7a_100011232665_100011215043 [0,2,0,0,0,0|1,0,0]=3 7946 B12R1.7 Cc1ccc(s1)CNCCCF 207a_100015189416_100000211121 [0,2,0,0,0,0|1,1,0]=4 7947 B12R1.7 Cc1ccc(s1)CNCCCF 2230a_100000238518_100011934791 [0,2,0,0,0,0|1,1,0]=4 7948 B12R1.7 Cc1ccc(s1)CNCCCF 270004a_100015189416_100000211121 [0,2,0,0,0,0|1,1,0]=4 7949 B12R1.7 Cc1ccc(s1)CNCCCO 207a_100000182051_100000211121 [0,2,0,0,0,0|1,1,0]=4 7950 B12R1.7 Cc1ccc(s1)CNCCCO 2230a_100000238518_100000230001 [0,2,0,0,0,0|1,1,0]=4 7951 B12R1.7 Cc1ccc(s1)CNCCCO 270004a_100000182051_100000211121 [0,2,0,0,0,0|1,1,0]=4 7952 B12R1.7 Cc1ccc(s1)COCCCF 34a_100000238367_100011934791 [0,2,0,0,0,0|1,1,0]=4 7953 B12R1.7 Cc1ccc(s1)COCCCO 34a_100000238367_100000230001 [0,2,0,0,0,0|1,1,0]=4 7954 B12R1.7 Cc1ccc(s1)SCCCCF 62a_100000031368_100000729493 [0,2,0,0,0,0|1,1,0]=4 7955 B12R1.7 Cc1ccc(s1)SCCCCF 62a_100000729493_100000031368 [0,2,0,0,0,0|1,1,0]=4 7956 B12R1.7 Cc1ccc(s1)SCCCCO 62a_100000031368_100000210776 [0,2,0,0,0,0|1,1,0]=4 7957 B12R1.7 Cc1ccc(s1)SCCCCO 62a_100000210776_100000031368 [0,2,0,0,0,0|1,1,0]=4 7958 B12R1.7 Cc1cnc(o1)CNCCCF 2230a_100138411809_100011934791 [0,2,0,0,0,0|2,0,0]=4 7959 B12R1.7 Cc1cnc(o1)CNCCCF 34a_100138411809_100011934791 [0,2,0,0,0,0|2,0,0]=4 7960 B12R1.7 Cc1cnc(o1)CNCCCO 2230a_100138411809_100000230001 [0,2,0,0,0,0|2,0,0]=4 7961 B12R1.7 Cc1cnc(o1)CNCCCO 34a_100138411809_100000230001 [0,2,0,0,0,0|2,0,0]=4 7962 B12R1.7 Cc1csc(c1)CNCCCF 207a_100015189416_100102525248 [0,2,0,0,0,0|1,1,0]=4 7963 B12R1.7 Cc1csc(c1)CNCCCF 2230a_100015204214_100011934791 [0,2,0,0,0,0|1,1,0]=4 7964 B12R1.7 Cc1csc(c1)CNCCCF 270004a_100015189416_100102525248 [0,2,0,0,0,0|1,1,0]=4 7965 B12R1.7 Cc1csc(c1)CNCCCF 34a_100015204214_100011934791 [0,2,0,0,0,0|1,1,0]=4 7966 B12R1.7 Cc1csc(c1)CNCCCO 207a_100000182051_100102525248 [0,2,0,0,0,0|1,1,0]=4 7967 B12R1.7 Cc1csc(c1)CNCCCO 2230a_100015204214_100000230001 [0,2,0,0,0,0|1,1,0]=4 7968 B12R1.7 Cc1csc(c1)CNCCCO 270004a_100000182051_100102525248 [0,2,0,0,0,0|1,1,0]=4 7969 B12R1.7 Cc1csc(c1)CNCCCO 34a_100015204214_100000230001 [0,2,0,0,0,0|1,1,0]=4 7970 B12R1.7 Cc1csc(c1)COCCCF 34a_200000068372_100011934791 [0,2,0,0,0,0|1,1,0]=4 7971 B12R1.7 Cc1csc(c1)COCCCF 7a_200000068372_100011934791 [0,2,0,0,0,0|1,1,0]=4 7972 B12R1.7 Cc1csc(c1)COCCCO 34a_200000068372_100000230001 [0,2,0,0,0,0|1,1,0]=4 7973 B12R1.7 Cc1csc(c1)COCCCO 7a_200000068372_100011215043 [0,2,0,0,0,0|1,1,0]=4 7974 B12R1.7 Cc1csc(c1)SCCCCF 62a_100000729493_100009876951 [0,2,0,0,0,0|1,1,0]=4 7975 B12R1.7 Cc1csc(c1)SCCCCF 62a_100009876951_100000729493 [0,2,0,0,0,0|1,1,0]=4 7976 B12R1.7 Cc1csc(c1)SCCCCO 62a_100000210776_100009876951 [0,2,0,0,0,0|1,1,0]=4 7977 B12R1.7 Cc1csc(c1)SCCCCO 62a_100009876951_100000210776 [0,2,0,0,0,0|1,1,0]=4 7978 B12R1.7 Cc1ncc(o1)CNCCCF 207a_100015189416_100000084308 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.7 Cc1ncc(o1)CNCCCF 270004a_100015189416_100000084308 [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.7 Cc1ncc(o1)CNCCCO 207a_100000182051_100000084308 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.7 Cc1ncc(o1)CNCCCO 270004a_100000182051_100000084308 [0,2,0,0,0,0|2,0,0]=4 7982 B12R1.7 Cc1noc(n1)CCCCCO 270196a_100000212224_100102619762 [0,2,0,0,0,0|2,0,0]=4 7983 B12R1.7 ClCCCOCc1cc(cs1)Br 34a_100000230001_100000746031 [0,2,0,0,0,0|1,1,0]=4 7984 B12R1.7 ClCCCOCc1ccc(s1)Br 34a_100000230001_100000708592 [0,2,0,0,0,0|1,1,0]=4 7985 B12R1.7 ClCCCOCc1ccc(s1)Cl 34a_100000230001_100000185097 [0,2,0,0,0,0|1,1,0]=4 7986 B12R1.7 Clc1ccc(s1)COCCCBr 34a_100011217188_100000185097 [0,2,0,0,0,0|1,1,0]=4 7987 B12R1.7 FCCCCSc1ccc(s1)Br 62a_100000729493_100010197418 [0,2,0,0,0,0|1,1,0]=4 7988 B12R1.7 FCCCCSc1ccc(s1)Br 62a_100010197418_100000729493 [0,2,0,0,0,0|1,1,0]=4 7989 B12R1.7 FCCCNCc1cc(c[nH]1)Br 270004a_100015189416_100000720742 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.7 FCCCNCc1cc(co1)Br 270004a_100015189416_100000747035 [0,2,0,0,0,0|1,0,0]=3 7991 B12R1.7 FCCCNCc1cc(cs1)Br 207a_100015189416_100000211722 [0,2,0,0,0,0|1,1,0]=4 7992 B12R1.7 FCCCNCc1cc(cs1)Br 2230a_100000741024_100011934791 [0,2,0,0,0,0|1,1,0]=4 7993 B12R1.7 FCCCNCc1cc(cs1)Br 2230a_100015189416_100000746031 [0,2,0,0,0,0|1,1,0]=4 7994 B12R1.7 FCCCNCc1cc(cs1)Br 270004a_100015189416_100000211722 [0,2,0,0,0,0|1,1,0]=4 7995 B12R1.7 FCCCNCc1cc(cs1)Br 34a_100000741024_100011934791 [0,2,0,0,0,0|1,1,0]=4 7996 B12R1.7 FCCCNCc1cc(cs1)Br 34a_100015189416_100000746031 [0,2,0,0,0,0|1,1,0]=4 7997 B12R1.7 FCCCNCc1cc(cs1)Cl 207a_100015189416_100000102487 [0,2,0,0,0,0|1,1,0]=4 7998 B12R1.7 FCCCNCc1cc(cs1)Cl 270004a_100015189416_100000102487 [0,2,0,0,0,0|1,1,0]=4 7999 B12R1.7 FCCCNCc1cc(cs1)I 207a_100015189416_100010179861 [0,2,0,0,0,0|1,1,0]=4 8000 B12R1.7 FCCCNCc1cc(no1)Br 2230a_100015193020_100011934791 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.7 FCCCNCc1cc(no1)Br 270004a_100015189416_100009819588 [0,2,0,0,0,0|2,0,0]=4 8002 B12R1.7 FCCCNCc1cc(no1)Br 34a_100015193020_100011934791 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.7 FCCCNCc1ccc(o1)Br 207a_100015189416_100000185145 [0,2,0,0,0,0|1,0,0]=3 8004 B12R1.7 FCCCNCc1ccc(o1)Br 270004a_100015189416_100000185145 [0,2,0,0,0,0|1,0,0]=3 8005 B12R1.7 FCCCNCc1ccc(o1)Br 34a_100000708654_100011934791 [0,2,0,0,0,0|1,0,0]=3 8006 B12R1.7 FCCCNCc1ccc(o1)Cl 207a_100015189416_100000188459 [0,2,0,0,0,0|1,0,0]=3 8007 B12R1.7 FCCCNCc1ccc(o1)Cl 270004a_100015189416_100000188459 [0,2,0,0,0,0|1,0,0]=3 8008 B12R1.7 FCCCNCc1ccc(o1)I 207a_100015189416_100000186757 [0,2,0,0,0,0|1,0,0]=3 8009 B12R1.7 FCCCNCc1ccc(s1)Br 207a_100015189416_100000179771 [0,2,0,0,0,0|1,1,0]=4 8010 B12R1.7 FCCCNCc1ccc(s1)Br 2230a_100015189416_100000708592 [0,2,0,0,0,0|1,1,0]=4 8011 B12R1.7 FCCCNCc1ccc(s1)Br 270004a_100015189416_100000179771 [0,2,0,0,0,0|1,1,0]=4 8012 B12R1.7 FCCCNCc1ccc(s1)Br 34a_100015189416_100000708592 [0,2,0,0,0,0|1,1,0]=4 8013 B12R1.7 FCCCNCc1ccc(s1)Cl 207a_100015189416_100000242774 [0,2,0,0,0,0|1,1,0]=4 8014 B12R1.7 FCCCNCc1ccc(s1)Cl 2230a_100000737310_100011934791 [0,2,0,0,0,0|1,1,0]=4 8015 B12R1.7 FCCCNCc1ccc(s1)Cl 2230a_100015189416_100000185097 [0,2,0,0,0,0|1,1,0]=4 8016 B12R1.7 FCCCNCc1ccc(s1)Cl 270004a_100015189416_100000242774 [0,2,0,0,0,0|1,1,0]=4 8017 B12R1.7 FCCCNCc1ccc(s1)Cl 34a_100015189416_100000185097 [0,2,0,0,0,0|1,1,0]=4 8018 B12R1.7 FCCCOCc1cc(cs1)Br 34a_100000238369_100011934791 [0,2,0,0,0,0|1,1,0]=4 8019 B12R1.7 FCCCOCc1cc(cs1)Br 34a_100000759539_100000746031 [0,2,0,0,0,0|1,1,0]=4 8020 B12R1.7 FCCCOCc1cc(cs1)Br 7a_100000238369_100011934791 [0,2,0,0,0,0|1,1,0]=4 8021 B12R1.7 FCCCOCc1cc(no1)Br 34a_100009816691_100011934791 [0,2,0,0,0,0|2,0,0]=4 8022 B12R1.7 FCCCOCc1ccc(o1)Br 34a_100000246276_100011934791 [0,2,0,0,0,0|1,0,0]=3 8023 B12R1.7 FCCCOCc1ccc(o1)Br 7a_100000246276_100011934791 [0,2,0,0,0,0|1,0,0]=3 8024 B12R1.7 FCCCOCc1ccc(s1)Br 34a_100000759539_100000708592 [0,2,0,0,0,0|1,1,0]=4 8025 B12R1.7 FCCCOCc1ccc(s1)Cl 34a_100000759539_100000185097 [0,2,0,0,0,0|1,1,0]=4 8026 B12R1.7 FCCCSCc1cc(cs1)Br 62a_100000746031_100011934791 [0,2,0,0,0,0|1,1,0]=4 8027 B12R1.7 FCCCSCc1cc(cs1)Br 62a_100011934791_100000746031 [0,2,0,0,0,0|1,1,0]=4 8028 B12R1.7 FCCCSCc1cc(no1)Br 62a_100000709089_100011934791 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.7 FCCCSCc1cc(no1)Br 62a_100011934791_100000709089 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.7 FCCCSCc1ccc(s1)Br 62a_100000708592_100011934791 [0,2,0,0,0,0|1,1,0]=4 8031 B12R1.7 FCCCSCc1ccc(s1)Br 62a_100011934791_100000708592 [0,2,0,0,0,0|1,1,0]=4 8032 B12R1.7 FCCCSCc1ccc(s1)Cl 62a_100000185097_100011934791 [0,2,0,0,0,0|1,1,0]=4 8033 B12R1.7 FCCCSCc1ccc(s1)Cl 62a_100011934791_100000185097 [0,2,0,0,0,0|1,1,0]=4 8034 B12R1.7 FCCNCCc1ccc(s1)Br 2230a_100000217605_100011217306 [0,2,0,0,0,0|1,1,0]=4 8035 B12R1.7 FCCOCCc1cc(no1)Br 34a_100009816916_100011217306 [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.7 N#CCCNCc1cc(co1)Br 270004a_100000720768_100000747035 [0,2,0,0,0,0|1,0,1]=4 8037 B12R1.7 N#CCCNCc1ccc(o1)Br 270004a_100000720768_100000185145 [0,2,0,0,0,0|1,0,1]=4 8038 B12R1.7 N#CCCNCc1ccc(o1)Cl 270004a_100000720768_100000188459 [0,2,0,0,0,0|1,0,1]=4 8039 B12R1.7 N#CCCOCc1ccc(o1)Br 7a_100000246276_100000184422 [0,2,0,0,0,0|1,0,1]=4 8040 B12R1.7 NCCCOCc1cc(cs1)Br 34a_100000182051_100000746031 [0,2,0,0,0,0|1,1,0]=4 8041 B12R1.7 NCCCOCc1ccc(s1)Br 34a_100000182051_100000708592 [0,2,0,0,0,0|1,1,0]=4 8042 B12R1.7 NCCCOCc1ccc(s1)Cl 34a_100000182051_100000185097 [0,2,0,0,0,0|1,1,0]=4 8043 B12R1.7 OCCCCSc1ccc(s1)Br 62a_100000210776_100010197418 [0,2,0,0,0,0|1,1,0]=4 8044 B12R1.7 OCCCCSc1ccc(s1)Br 62a_100010197418_100000210776 [0,2,0,0,0,0|1,1,0]=4 8045 B12R1.7 OCCCNCc1cc(c[nH]1)Br 270004a_100000182051_100000720742 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.7 OCCCNCc1cc(co1)Br 270004a_100000182051_100000747035 [0,2,0,0,0,0|1,0,0]=3 8047 B12R1.7 OCCCNCc1cc(cs1)Br 207a_100000182051_100000211722 [0,2,0,0,0,0|1,1,0]=4 8048 B12R1.7 OCCCNCc1cc(cs1)Br 2230a_100000741024_100000230001 [0,2,0,0,0,0|1,1,0]=4 8049 B12R1.7 OCCCNCc1cc(cs1)Br 270004a_100000182051_100000211722 [0,2,0,0,0,0|1,1,0]=4 8050 B12R1.7 OCCCNCc1cc(cs1)Br 34a_100000741024_100000230001 [0,2,0,0,0,0|1,1,0]=4 8051 B12R1.7 OCCCNCc1cc(cs1)Cl 207a_100000182051_100000102487 [0,2,0,0,0,0|1,1,0]=4 8052 B12R1.7 OCCCNCc1cc(cs1)Cl 270004a_100000182051_100000102487 [0,2,0,0,0,0|1,1,0]=4 8053 B12R1.7 OCCCNCc1cc(cs1)I 207a_100000182051_100010179861 [0,2,0,0,0,0|1,1,0]=4 8054 B12R1.7 OCCCNCc1cc(no1)Br 2230a_100015193020_100000230001 [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.7 OCCCNCc1cc(no1)Br 270004a_100000182051_100009819588 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.7 OCCCNCc1cc(no1)Br 34a_100015193020_100000230001 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.7 OCCCNCc1ccc(o1)Br 207a_100000182051_100000185145 [0,2,0,0,0,0|1,0,0]=3 8058 B12R1.7 OCCCNCc1ccc(o1)Br 270004a_100000182051_100000185145 [0,2,0,0,0,0|1,0,0]=3 8059 B12R1.7 OCCCNCc1ccc(o1)Br 34a_100000708654_100000230001 [0,2,0,0,0,0|1,0,0]=3 8060 B12R1.7 OCCCNCc1ccc(o1)Cl 207a_100000182051_100000188459 [0,2,0,0,0,0|1,0,0]=3 8061 B12R1.7 OCCCNCc1ccc(o1)Cl 270004a_100000182051_100000188459 [0,2,0,0,0,0|1,0,0]=3 8062 B12R1.7 OCCCNCc1ccc(o1)I 207a_100000182051_100000186757 [0,2,0,0,0,0|1,0,0]=3 8063 B12R1.7 OCCCNCc1ccc(s1)Br 207a_100000182051_100000179771 [0,2,0,0,0,0|1,1,0]=4 8064 B12R1.7 OCCCNCc1ccc(s1)Br 270004a_100000182051_100000179771 [0,2,0,0,0,0|1,1,0]=4 8065 B12R1.7 OCCCNCc1ccc(s1)Cl 207a_100000182051_100000242774 [0,2,0,0,0,0|1,1,0]=4 8066 B12R1.7 OCCCNCc1ccc(s1)Cl 2230a_100000737310_100000230001 [0,2,0,0,0,0|1,1,0]=4 8067 B12R1.7 OCCCNCc1ccc(s1)Cl 270004a_100000182051_100000242774 [0,2,0,0,0,0|1,1,0]=4 8068 B12R1.7 OCCCOCc1cc(cs1)Br 34a_100000238369_100000230001 [0,2,0,0,0,0|1,1,0]=4 8069 B12R1.7 OCCCOCc1cc(cs1)Br 7a_100000238369_100011215043 [0,2,0,0,0,0|1,1,0]=4 8070 B12R1.7 OCCCOCc1cc(no1)Br 34a_100009816691_100000230001 [0,2,0,0,0,0|2,0,0]=4 8071 B12R1.7 OCCCOCc1ccc(o1)Br 34a_100000246276_100000230001 [0,2,0,0,0,0|1,0,0]=3 8072 B12R1.7 OCCCOCc1ccc(o1)Br 7a_100000246276_100011215043 [0,2,0,0,0,0|1,0,0]=3 8073 B12R1.7 OCCCSCc1cc(cs1)Br 62a_100000746031_100011215043 [0,2,0,0,0,0|1,1,0]=4 8074 B12R1.7 OCCCSCc1cc(cs1)Br 62a_100011215043_100000746031 [0,2,0,0,0,0|1,1,0]=4 8075 B12R1.7 OCCCSCc1cc(no1)Br 62a_100000709089_100011215043 [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.7 OCCCSCc1cc(no1)Br 62a_100011215043_100000709089 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.7 OCCCSCc1ccc(s1)Br 62a_100000708592_100011215043 [0,2,0,0,0,0|1,1,0]=4 8078 B12R1.7 OCCCSCc1ccc(s1)Br 62a_100011215043_100000708592 [0,2,0,0,0,0|1,1,0]=4 8079 B12R1.7 OCCCSCc1ccc(s1)Cl 62a_100000185097_100011215043 [0,2,0,0,0,0|1,1,0]=4 8080 B12R1.7 OCCCSCc1ccc(s1)Cl 62a_100011215043_100000185097 [0,2,0,0,0,0|1,1,0]=4 8081 B12R1.7 OCCNCCc1ccc(s1)Br 2230a_100000217605_100000211926 [0,2,0,0,0,0|1,1,0]=4 8082 B12R1.7 OCCOCCc1cc(no1)Br 34a_100009816916_100000211926 [0,2,0,0,0,0|2,0,0]=4 8083 B12R1.7 [13CH3]NCCSCc1ccc(s1)Br 2230a_100000198568_200025704644 [0,2,0,0,0,0|1,1,0]=4 8084 B12R1.7 [13CH3]NCCSCc1ccc(s1)Br 7a_100000198568_200025704644 [0,2,0,0,0,0|1,1,0]=4 8085 B12R1.35 C#CCCN[C@H](C)c1ccco1 2230a_100160469435_100000688953 [0,2,0,0,0,0|0,0,2]=4 8086 B12R1.35 C#CCCO[C@@H](C)c1ccco1 34a_100000755270_100000688953 [0,2,0,0,0,0|0,0,2]=4 8087 B12R1.35 C#CCCO[C@@H](C)c1ccco1 7a_100000755270_100000688953 [0,2,0,0,0,0|0,0,2]=4 8088 B12R1.35 C#CCNCC(O)c1ccco1 2230a_100000738650_100000038162 [0,2,0,0,0,0|0,0,2]=4 8089 B12R1.35 C/C=C/CO[C@@H](C)c1ccco1 34a_100000755270_100102629194 [0,2,0,0,0,0|0,0,2]=4 8090 B12R1.35 C/C=C/CO[C@@H](C)c1ccco1 7a_100000755270_100102629194 [0,2,0,0,0,0|0,0,2]=4 8091 B12R1.35 C=CCCN[C@H](C)c1ccco1 2230a_100160469435_100000754431 [0,2,0,0,0,0|0,0,2]=4 8092 B12R1.35 C=CCCO[C@@H](C)c1ccco1 34a_100000755270_100000754431 [0,2,0,0,0,0|0,0,2]=4 8093 B12R1.35 C=CCCO[C@@H](C)c1ccco1 7a_100000755270_100000754431 [0,2,0,0,0,0|0,0,2]=4 8094 B12R1.35 C=CCNCC(O)c1ccco1 2230a_100000738650_100000210623 [0,2,0,0,0,0|0,0,2]=4 8095 B12R1.35 CC#CCN[C@H](C)c1ccco1 2230a_100160469435_100000748600 [0,2,0,0,0,0|0,0,2]=4 8096 B12R1.35 CC#CCO[C@@H](C)c1ccco1 34a_100000755270_100000748600 [0,2,0,0,0,0|0,0,2]=4 8097 B12R1.35 CC#CCO[C@@H](C)c1ccco1 7a_100000755270_100000748600 [0,2,0,0,0,0|0,0,2]=4 8098 B12R1.35 CC(NCCCF)c1ccc[nH]1 269862a_100015189416_100000183661 [0,2,0,0,0,0|2,0,0]=4 8099 B12R1.35 CC(NCCCF)c1cccs1 2230a_100000703493_100011934791 [0,2,0,0,0,0|1,1,0]=4 8100 B12R1.35 CC(NCCCF)c1cccs1 269862a_100015189416_100000185736 [0,2,0,0,0,0|1,1,0]=4 8101 B12R1.35 CC(NCCCO)c1ccc[nH]1 269862a_100000182051_100000183661 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.35 CC(NCCCO)c1cccs1 2230a_100000703493_100000230001 [0,2,0,0,0,0|1,1,0]=4 8103 B12R1.35 CC(NCCCO)c1cccs1 269862a_100000182051_100000185736 [0,2,0,0,0,0|1,1,0]=4 8104 B12R1.35 CC=CCN[C@H](C)c1ccco1 2230a_100160469435_100000070051 [0,2,0,0,0,0|0,0,2]=4 8105 B12R1.35 CC=CCO[C@@H](C)c1ccco1 34a_100000755270_100000070051 [0,2,0,0,0,0|0,0,2]=4 8106 B12R1.35 CC=CCO[C@@H](C)c1ccco1 7a_100000755270_100000070051 [0,2,0,0,0,0|0,0,2]=4 8107 B12R1.35 CCCCNC(C)c1cc[nH]c1 269862a_100000102301_100000753940 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.35 CCCCNC(C)c1ccc[nH]1 269862a_100000102301_100000183661 [0,2,0,0,0,0|1,0,0]=3 8109 B12R1.35 CCCCNC(C)c1cccs1 2230a_100000703493_100000210211 [0,2,0,0,0,0|0,1,0]=3 8110 B12R1.35 CCCCNC(C)c1cccs1 269862a_100000102301_100000185736 [0,2,0,0,0,0|0,1,0]=3 8111 B12R1.35 CCCCNC(C)c1ccn[nH]1 269862a_100000102301_100000747476 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.35 CCCCNC(C)c1ccoc1 2230a_100000690049_100000210211 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.35 CCCCNC(C)c1ccsc1 2230a_100000748604_100000210211 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.35 CCCCNC(C)c1ccsc1 269862a_100000102301_100000747891 [0,2,0,0,0,0|2,0,0]=4 8115 B12R1.35 CCCCNC(C)c1cscn1 269862a_100000102301_100000693406 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.35 CCCCNC(C)c1ncc[nH]1 269862a_100000102301_100000718901 [0,2,0,0,0,0|2,0,0]=4 8117 B12R1.35 CCCCNC(C)c1nccs1 2230a_100000725601_100000210211 [0,2,0,0,0,0|1,1,0]=4 8118 B12R1.35 CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210211 [0,2,0,0,0,0|0,0,0]=2 8119 B12R1.35 CCCCOC(C)c1ccsc1 34a_100011350980_100000210210 [0,2,0,0,0,0|2,0,0]=4 8120 B12R1.35 CCCCOC(C)c1ccsc1 7a_100011350980_100000210211 [0,2,0,0,0,0|2,0,0]=4 8121 B12R1.35 CCCCOC(C)c1nccs1 7a_100000751044_100000210211 [0,2,0,0,0,0|1,1,0]=4 8122 B12R1.35 CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210210 [0,2,0,0,0,0|0,0,0]=2 8123 B12R1.35 CCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210211 [0,2,0,0,0,0|0,0,0]=2 8124 B12R1.35 CCCCO[C@H](C)c1cccs1 7a_100000750433_100000210211 [0,2,0,0,0,0|0,1,0]=3 8125 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [0,2,0,0,0,0|0,0,0]=2 8126 B12R1.35 CCCNCC(O)c1ccsc1 2230a_100000758718_100000210303 [0,2,0,0,0,0|2,0,0]=4 8127 B12R1.35 CCCNCC(O)c1ccsc1 34a_100000758718_100000210303 [0,2,0,0,0,0|2,0,0]=4 8128 B12R1.35 CCCNN=C(C)c1ccco1 4a_100000740057_100000210965 [0,2,0,0,0,0|1,0,1]=4 8129 B12R1.35 CCCOCC(C)n1cccn1 34a_100011935049_100000210303 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.35 CCCOCC(N)c1cccs1 34a_100102422791_100000210303 [0,2,0,0,0,0|0,1,0]=3 8131 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_100000210303_200011262396 [0,2,0,0,0,0|1,0,1]=4 8132 B12R1.35 CCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210303 [0,2,0,0,0,0|1,0,1]=4 8133 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,2,0,0,0,0|0,0,1]=3 8134 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,2,0,0,0,0|0,0,1]=3 8135 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000210303_100000211436 [0,2,0,0,0,0|0,1,1]=4 8136 B12R1.35 CCCSCC(=O)c1cccs1 62a_100000211436_100000210303 [0,2,0,0,0,0|0,1,1]=4 8137 B12R1.35 CCNCCC(=O)c1cccs1 2230a_100015525214_100011290775 [0,2,0,0,0,0|0,1,1]=4 8138 B12R1.35 CCOCCC(C)n1cccn1 34a_100000090012_100000210202 [0,2,0,0,0,0|2,0,0]=4 8139 B12R1.35 CCOCCC(C)n1cccn1 7a_100000090012_100000210202 [0,2,0,0,0,0|2,0,0]=4 8140 B12R1.35 CCSCCC(=O)c1cccs1 62a_100000210202_100011290775 [0,2,0,0,0,0|0,1,1]=4 8141 B12R1.35 CCSCCC(=O)c1cccs1 62a_100011290775_100000210202 [0,2,0,0,0,0|0,1,1]=4 8142 B12R1.35 COCCNC(C)c1ccc[nH]1 269862a_100000209980_100000183661 [0,2,0,0,0,0|2,0,0]=4 8143 B12R1.35 COCCNC(C)c1cccs1 2230a_100000703493_100011201679 [0,2,0,0,0,0|1,1,0]=4 8144 B12R1.35 COCCNC(C)c1cccs1 269862a_100000209980_100000185736 [0,2,0,0,0,0|1,1,0]=4 8145 B12R1.35 COCCN[C@H](C)c1ccco1 2230a_100160469435_100011201679 [0,2,0,0,0,0|1,0,0]=3 8146 B12R1.35 COCCO[C@@H](C)c1ccco1 34a_100000755270_100011201679 [0,2,0,0,0,0|1,0,0]=3 8147 B12R1.35 COCCO[C@@H](C)c1ccco1 7a_100000755270_100000233755 [0,2,0,0,0,0|1,0,0]=3 8148 B12R1.35 COCCO[C@H](C)c1cccs1 7a_100000750433_100000233755 [0,2,0,0,0,0|1,1,0]=4 8149 B12R1.35 COCNCC(O)c1ccco1 2230a_100000738650_100000766300 [0,2,0,0,0,0|1,0,0]=3 8150 B12R1.35 COCSCC(=O)c1ccco1 62a_100000211439_100000766300 [0,2,0,0,0,0|1,0,1]=4 8151 B12R1.35 COCSCC(=O)c1ccco1 62a_100000766300_100000211439 [0,2,0,0,0,0|1,0,1]=4 8152 B12R1.35 CSCCNC(C)c1ccc[nH]1 269862a_100020590264_100000183661 [0,2,0,0,0,0|2,0,0]=4 8153 B12R1.35 CSCCNC(C)c1cccs1 2230a_100000703493_100000751147 [0,2,0,0,0,0|1,1,0]=4 8154 B12R1.35 CSCCNC(C)c1cccs1 269862a_100020590264_100000185736 [0,2,0,0,0,0|1,1,0]=4 8155 B12R1.35 CSCCN[C@H](C)c1ccco1 2230a_100160469435_100000751147 [0,2,0,0,0,0|1,0,0]=3 8156 B12R1.35 CSCCO[C@@H](C)c1ccco1 34a_100000755270_100000212216 [0,2,0,0,0,0|1,0,0]=3 8157 B12R1.35 CSCCO[C@@H](C)c1ccco1 7a_100000755270_100000212216 [0,2,0,0,0,0|1,0,0]=3 8158 B12R1.35 CSCCO[C@H](C)c1cccs1 7a_100000750433_100000212216 [0,2,0,0,0,0|1,1,0]=4 8159 B12R1.35 CSCNCC(O)c1ccco1 2230a_100000738650_100011218213 [0,2,0,0,0,0|1,0,0]=3 8160 B12R1.35 CSCOCC(N)c1cccs1 34a_100102422791_100011218213 [0,2,0,0,0,0|1,1,0]=4 8161 B12R1.35 CSCSCC(=O)c1ccco1 62a_100000211439_100011218213 [0,2,0,0,0,0|1,0,1]=4 8162 B12R1.35 CSCSCC(=O)c1ccco1 62a_100011218213_100000211439 [0,2,0,0,0,0|1,0,1]=4 8163 B12R1.35 C[C@@H](NCCC#N)c1ccco1 2230a_100160469435_100011215226 [0,2,0,0,0,0|1,0,1]=4 8164 B12R1.35 C[C@@H](NCCCF)c1ccco1 2230a_100160469435_100011934791 [0,2,0,0,0,0|1,0,0]=3 8165 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [0,2,0,0,0,0|1,0,0]=3 8166 B12R1.35 C[C@@H](OCCCF)c1cccs1 7a_100000750433_100011934791 [0,2,0,0,0,0|1,1,0]=4 8167 B12R1.35 C[C@@H](OCCCO)c1cccs1 7a_100000750433_100011215043 [0,2,0,0,0,0|1,1,0]=4 8168 B12R1.35 C[C@H](OCCC#N)c1ccco1 7a_100000755270_100000184422 [0,2,0,0,0,0|1,0,1]=4 8169 B12R1.35 C[C@H](OCCCF)c1ccco1 34a_100000755270_100011934791 [0,2,0,0,0,0|1,0,0]=3 8170 B12R1.35 C[C@H](OCCCF)c1ccco1 7a_100000755270_100011934791 [0,2,0,0,0,0|1,0,0]=3 8171 B12R1.35 C[C@H](OCCCO)c1ccco1 34a_100000755270_100000230001 [0,2,0,0,0,0|1,0,0]=3 8172 B12R1.35 C[C@H](OCCCO)c1ccco1 7a_100000755270_100011215043 [0,2,0,0,0,0|1,0,0]=3 8173 B12R1.35 N#CCNCC(O)c1ccco1 2230a_100000738650_100011215382 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.35 NC(COCCF)c1cccs1 34a_100102422791_100011217306 [0,2,0,0,0,0|1,1,0]=4 8175 B12R1.35 NC(COCCO)c1cccs1 34a_100102422791_100000211926 [0,2,0,0,0,0|1,1,0]=4 8176 B12R1.35 O=C(CSCCF)c1ccco1 62a_100000211439_100011217306 [0,2,0,0,0,0|1,0,1]=4 8177 B12R1.35 O=C(CSCCF)c1ccco1 62a_100011217306_100000211439 [0,2,0,0,0,0|1,0,1]=4 8178 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211439_100000211926 [0,2,0,0,0,0|1,0,1]=4 8179 B12R1.35 O=C(CSCCO)c1ccco1 62a_100000211926_100000211439 [0,2,0,0,0,0|1,0,1]=4 8180 B12R1.35 O=CCNCC(O)c1ccco1 2230a_100000738650_200015260668 [0,2,0,0,0,0|1,0,1]=4 8181 B12R1.35 OC(CNCCF)c1ccco1 2230a_100000738650_100011217306 [0,2,0,0,0,0|1,0,0]=3 8182 B12R1.35 OCCNCC(O)c1ccco1 2230a_100000738650_100000211926 [0,2,0,0,0,0|1,0,0]=3 8183 B12R1.37 BrCCCCOCc1c[nH]cn1 34a_100011216708_100000707719 [0,2,0,0,0,0|2,0,0]=4 8184 B12R1.37 BrCCCCOCc1ccn[nH]1 34a_100011216708_100000728653 [0,2,0,0,0,0|2,0,0]=4 8185 B12R1.37 BrCCCCOCc1ccon1 34a_100011216708_100000234950 [0,2,0,0,0,0|2,0,0]=4 8186 B12R1.37 BrCCCCOCc1ccsc1 34a_100011216708_100011261437 [0,2,0,0,0,0|2,0,0]=4 8187 B12R1.37 BrCCCCOCc1cncs1 34a_100011216708_100015185245 [0,2,0,0,0,0|1,1,0]=4 8188 B12R1.37 BrCCCCOCc1cscn1 34a_100011216708_100000205941 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.37 BrCCCCOCc1ncc[nH]1 34a_100011216708_100016991755 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.37 BrCCCCOCc1ncco1 34a_100011216708_103436540062 [0,2,0,0,0,0|1,0,0]=3 8191 B12R1.37 BrCCCCOCc1nccs1 34a_100011216708_100015184050 [0,2,0,0,0,0|1,1,0]=4 8192 B12R1.37 BrCCCOCCc1cccs1 34a_100011217188_100000748579 [0,2,0,0,0,0|0,1,0]=3 8193 B12R1.37 BrCCCOCCn1cccn1 34a_100011217188_100015204718 [0,2,0,0,0,0|2,0,0]=4 8194 B12R1.37 BrCCOCCCc1cccs1 34a_100000211926_100010992444 [0,2,0,0,0,0|0,1,0]=3 8195 B12R1.37 BrCCOCCCn1cccc1 34a_100000211926_200009814367 [0,2,0,0,0,0|2,0,0]=4 8196 B12R1.37 C#CCCCCSc1ccco1 62a_100009814098_100010269958 [0,2,0,0,0,0|0,0,1]=3 8197 B12R1.37 C#CCCCCSc1ccco1 62a_100010269958_100009814098 [0,2,0,0,0,0|0,0,1]=3 8198 B12R1.37 C#CCCCCSc1cccs1 62a_100010269958_100011215356 [0,2,0,0,0,0|0,1,1]=4 8199 B12R1.37 C#CCCCCSc1cccs1 62a_100011215356_100010269958 [0,2,0,0,0,0|0,1,1]=4 8200 B12R1.37 C#CCCCCSc1cnco1 62a_100010269958_100020591547 [0,2,0,0,0,0|1,0,1]=4 8201 B12R1.37 C#CCCCCSc1cnco1 62a_100020591547_100010269958 [0,2,0,0,0,0|1,0,1]=4 8202 B12R1.37 C#CCCCCSc1ncco1 62a_100010269958_100011787736 [0,2,0,0,0,0|1,0,1]=4 8203 B12R1.37 C#CCCCCSc1ncco1 62a_100011787736_100010269958 [0,2,0,0,0,0|1,0,1]=4 8204 B12R1.37 C#CCCCNCc1ccco1 207a_100000718082_100000186105 [0,2,0,0,0,0|0,0,1]=3 8205 B12R1.37 C#CCCCNCc1ccco1 2230a_100000185738_100000731252 [0,2,0,0,0,0|0,0,1]=3 8206 B12R1.37 C#CCCCNCc1ccco1 270004a_100000718082_100000186105 [0,2,0,0,0,0|0,0,1]=3 8207 B12R1.37 C#CCCCNCc1ccco1 34a_100000185738_100000695029 [0,2,0,0,0,0|0,0,1]=3 8208 B12R1.37 C#CCCCNCc1cccs1 207a_100000718082_100000209959 [0,2,0,0,0,0|0,1,1]=4 8209 B12R1.37 C#CCCCNCc1cccs1 2230a_100000211653_100000731252 [0,2,0,0,0,0|0,1,1]=4 8210 B12R1.37 C#CCCCNCc1cccs1 270004a_100000718082_100000209959 [0,2,0,0,0,0|0,1,1]=4 8211 B12R1.37 C#CCCCNCc1cnco1 270004a_100000718082_100000064291 [0,2,0,0,0,0|1,0,1]=4 8212 B12R1.37 C#CCCCNCc1ncco1 2230a_100016994969_100000731252 [0,2,0,0,0,0|1,0,1]=4 8213 B12R1.37 C#CCCCNCc1ncco1 270004a_100000718082_100000064290 [0,2,0,0,0,0|1,0,1]=4 8214 B12R1.37 C#CCCCNCc1ncco1 34a_100000718082_103436540062 [0,2,0,0,0,0|1,0,1]=4 8215 B12R1.37 C#CCCCOCc1ccco1 34a_100000210059_100000695029 [0,2,0,0,0,0|0,0,1]=3 8216 B12R1.37 C#CCCCOCc1cccs1 34a_100000211240_100000695029 [0,2,0,0,0,0|0,1,1]=4 8217 B12R1.37 C#CCCCOCc1ccno1 34a_100000740478_100000695029 [0,2,0,0,0,0|1,0,1]=4 8218 B12R1.37 C#CCCCOCc1ncco1 34a_100000062594_100000695029 [0,2,0,0,0,0|1,0,1]=4 8219 B12R1.37 C#CCCCOCc1ncco1 34a_100000215630_103436540062 [0,2,0,0,0,0|1,0,1]=4 8220 B12R1.37 C#CCCCOCc1ncco1 7a_100000215630_103436540062 [0,2,0,0,0,0|1,0,1]=4 8221 B12R1.37 C#CCCCSCc1ncco1 62a_100011215417_103436540062 [0,2,0,0,0,0|1,0,1]=4 8222 B12R1.37 C#CCCCSCc1ncco1 62a_103436540062_100011215417 [0,2,0,0,0,0|1,0,1]=4 8223 B12R1.37 C#CCCNCCc1ccco1 2230a_100000694680_100000688953 [0,2,0,0,0,0|0,0,1]=3 8224 B12R1.37 C#CCCNCCc1ccco1 34a_100000694680_100000688953 [0,2,0,0,0,0|0,0,1]=3 8225 B12R1.37 C#CCCNCCc1cccs1 2230a_100000203755_100000688953 [0,2,0,0,0,0|0,1,1]=4 8226 B12R1.37 C#CCCNCCc1cccs1 34a_100000203755_100000688953 [0,2,0,0,0,0|0,1,1]=4 8227 B12R1.37 C#CCCNCCc1cccs1 34a_100000755551_100000748579 [0,2,0,0,0,0|0,1,1]=4 8228 B12R1.37 C#CCCOCCc1cccs1 34a_100011215631_100000748579 [0,2,0,0,0,0|0,1,1]=4 8229 B12R1.37 C#CCCOCCc1cccs1 34a_100011216825_100000688953 [0,2,0,0,0,0|0,1,1]=4 8230 B12R1.37 C#CCCOCCc1cccs1 7a_100011216825_100000688953 [0,2,0,0,0,0|0,1,1]=4 8231 B12R1.37 C#CCCSCCc1cccs1 62a_100000688953_100000748579 [0,2,0,0,0,0|0,1,1]=4 8232 B12R1.37 C#CCCSCCc1cccs1 62a_100000748579_100000688953 [0,2,0,0,0,0|0,1,1]=4 8233 B12R1.37 C#CCNCCCc1cccs1 34a_100000212058_100010992444 [0,2,0,0,0,0|0,1,1]=4 8234 B12R1.37 C#CCOCCCc1cccs1 34a_100000210247_100010992444 [0,2,0,0,0,0|0,1,1]=4 8235 B12R1.37 C#CCOCCCc1cccs1 34a_100011713143_100000184674 [0,2,0,0,0,0|0,1,1]=4 8236 B12R1.37 C#CCOCCCc1cccs1 7a_100011713143_100000038162 [0,2,0,0,0,0|0,1,1]=4 8237 B12R1.37 C#CCOCCSc1ccco1 62a_100009814098_100010402529 [0,2,0,0,0,0|0,0,2]=4 8238 B12R1.37 C#CCOCCSc1ccco1 62a_100010402529_100009814098 [0,2,0,0,0,0|0,0,2]=4 8239 B12R1.37 C#CCSCCCc1cccs1 62a_100000038162_100010992444 [0,2,0,0,0,0|0,1,1]=4 8240 B12R1.37 C/C=C/CCOCc1ncco1 34a_100016278192_103436540062 [0,2,0,0,0,0|1,0,1]=4 8241 B12R1.37 C/C=C/CNCCc1ccco1 34a_100000694680_100102629194 [0,2,0,0,0,0|0,0,1]=3 8242 B12R1.37 C/C=C/CNCCc1cccs1 34a_100000203755_100102629194 [0,2,0,0,0,0|0,1,1]=4 8243 B12R1.37 C/C=C/COCCc1cccs1 34a_100011216825_100102629194 [0,2,0,0,0,0|0,1,1]=4 8244 B12R1.37 C/C=C/COCCc1cccs1 34a_100016270725_100000748579 [0,2,0,0,0,0|0,1,1]=4 8245 B12R1.37 C/C=C/COCCc1cccs1 7a_100011216825_100102629194 [0,2,0,0,0,0|0,1,1]=4 8246 B12R1.37 C/C=C/CSCCc1cccs1 62a_100000748579_100102629194 [0,2,0,0,0,0|0,1,1]=4 8247 B12R1.37 C/C=C/CSCCc1cccs1 62a_100102629194_100000748579 [0,2,0,0,0,0|0,1,1]=4 8248 B12R1.37 C=CCCCCSc1ccco1 62a_100009814098_100011215482 [0,2,0,0,0,0|0,0,1]=3 8249 B12R1.37 C=CCCCCSc1ccco1 62a_100011215482_100009814098 [0,2,0,0,0,0|0,0,1]=3 8250 B12R1.37 C=CCCCCSc1cccs1 62a_100011215356_100011215482 [0,2,0,0,0,0|0,1,1]=4 8251 B12R1.37 C=CCCCCSc1cccs1 62a_100011215482_100011215356 [0,2,0,0,0,0|0,1,1]=4 8252 B12R1.37 C=CCCCCSc1cnco1 62a_100011215482_100020591547 [0,2,0,0,0,0|1,0,1]=4 8253 B12R1.37 C=CCCCCSc1cnco1 62a_100020591547_100011215482 [0,2,0,0,0,0|1,0,1]=4 8254 B12R1.37 C=CCCCCSc1ncco1 62a_100011215482_100011787736 [0,2,0,0,0,0|1,0,1]=4 8255 B12R1.37 C=CCCCCSc1ncco1 62a_100011787736_100011215482 [0,2,0,0,0,0|1,0,1]=4 8256 B12R1.37 C=CCCCNCc1ccco1 2230a_100000185738_100011713584 [0,2,0,0,0,0|0,0,1]=3 8257 B12R1.37 C=CCCCNCc1ccco1 270004a_100000700776_100000186105 [0,2,0,0,0,0|0,0,1]=3 8258 B12R1.37 C=CCCCNCc1ccco1 34a_100000185738_100000757094 [0,2,0,0,0,0|0,0,1]=3 8259 B12R1.37 C=CCCCNCc1cccs1 2230a_100000211653_100011713584 [0,2,0,0,0,0|0,1,1]=4 8260 B12R1.37 C=CCCCNCc1cccs1 270004a_100000700776_100000209959 [0,2,0,0,0,0|0,1,1]=4 8261 B12R1.37 C=CCCCNCc1cnco1 270004a_100000700776_100000064291 [0,2,0,0,0,0|1,0,1]=4 8262 B12R1.37 C=CCCCNCc1ncco1 2230a_100000700776_103436540062 [0,2,0,0,0,0|1,0,1]=4 8263 B12R1.37 C=CCCCNCc1ncco1 2230a_100016994969_100011713584 [0,2,0,0,0,0|1,0,1]=4 8264 B12R1.37 C=CCCCNCc1ncco1 270004a_100000700776_100000064290 [0,2,0,0,0,0|1,0,1]=4 8265 B12R1.37 C=CCCCNCc1ncco1 34a_100000700776_103436540062 [0,2,0,0,0,0|1,0,1]=4 8266 B12R1.37 C=CCCCOCc1ccco1 34a_100000210059_100000757094 [0,2,0,0,0,0|0,0,1]=3 8267 B12R1.37 C=CCCCOCc1cccs1 34a_100000211240_100000757094 [0,2,0,0,0,0|0,1,1]=4 8268 B12R1.37 C=CCCCOCc1ccno1 34a_100000740478_100000757094 [0,2,0,0,0,0|1,0,1]=4 8269 B12R1.37 C=CCCCOCc1ncco1 34a_100000062594_100000757094 [0,2,0,0,0,0|1,0,1]=4 8270 B12R1.37 C=CCCCOCc1ncco1 34a_100000758997_103436540062 [0,2,0,0,0,0|1,0,1]=4 8271 B12R1.37 C=CCCCOCc1ncco1 7a_100000758997_103436540062 [0,2,0,0,0,0|1,0,1]=4 8272 B12R1.37 C=CCCCSCc1ncco1 62a_100011713584_103436540062 [0,2,0,0,0,0|1,0,1]=4 8273 B12R1.37 C=CCCCSCc1ncco1 62a_103436540062_100000757094 [0,2,0,0,0,0|1,0,1]=4 8274 B12R1.37 C=CCCNCCc1ccco1 2230a_100000694680_100000754431 [0,2,0,0,0,0|0,0,1]=3 8275 B12R1.37 C=CCCNCCc1ccco1 34a_100000694680_100000754431 [0,2,0,0,0,0|0,0,1]=3 8276 B12R1.37 C=CCCNCCc1cccs1 2230a_100000203755_100000754431 [0,2,0,0,0,0|0,1,1]=4 8277 B12R1.37 C=CCCNCCc1cccs1 2230a_100015191253_100000748579 [0,2,0,0,0,0|0,1,1]=4 8278 B12R1.37 C=CCCNCCc1cccs1 34a_100000203755_100000754431 [0,2,0,0,0,0|0,1,1]=4 8279 B12R1.37 C=CCCOCCc1cccs1 34a_100011205117_100000748579 [0,2,0,0,0,0|0,1,1]=4 8280 B12R1.37 C=CCCOCCc1cccs1 34a_100011216825_100000754431 [0,2,0,0,0,0|0,1,1]=4 8281 B12R1.37 C=CCCOCCc1cccs1 7a_100011216825_100000754431 [0,2,0,0,0,0|0,1,1]=4 8282 B12R1.37 C=CCCSCCc1cccs1 62a_100000748579_100000754431 [0,2,0,0,0,0|0,1,1]=4 8283 B12R1.37 C=CCCSCCc1cccs1 62a_100000754431_100000748579 [0,2,0,0,0,0|0,1,1]=4 8284 B12R1.37 C=CCNCCCc1cccs1 2230a_100020586998_100010992444 [0,2,0,0,0,0|0,1,1]=4 8285 B12R1.37 C=CCOCCCc1cccs1 34a_100011713143_100015514636 [0,2,0,0,0,0|0,1,1]=4 8286 B12R1.37 C=CCOCCCc1cccs1 34a_200000210373_100010992444 [0,2,0,0,0,0|0,1,1]=4 8287 B12R1.37 C=CCOCCCc1cccs1 7a_100011713143_100015514636 [0,2,0,0,0,0|0,1,1]=4 8288 B12R1.37 C=CCSCCCc1cccs1 62a_100000210623_100010992444 [0,2,0,0,0,0|0,1,1]=4 8289 B12R1.37 C=CCSCCCc1cccs1 62a_100010992444_100000210623 [0,2,0,0,0,0|0,1,1]=4 8290 B12R1.37 C=COCCNCc1ccco1 2230a_100000185738_100000039644 [0,2,0,0,0,0|0,0,2]=4 8291 B12R1.37 C=COCCNCc1ccco1 34a_100000185738_100000039644 [0,2,0,0,0,0|0,0,2]=4 8292 B12R1.37 C=COCCOCc1ccco1 34a_100000210059_100000039644 [0,2,0,0,0,0|0,0,2]=4 8293 B12R1.37 CC#CCCOCc1ncco1 34a_100000750427_103436540062 [0,2,0,0,0,0|1,0,1]=4 8294 B12R1.37 CC#CCNCCc1ccco1 2230a_100000694680_100000748600 [0,2,0,0,0,0|0,0,1]=3 8295 B12R1.37 CC#CCNCCc1ccco1 34a_100000694680_100000748600 [0,2,0,0,0,0|0,0,1]=3 8296 B12R1.37 CC#CCNCCc1cccs1 2230a_100000203755_100000748600 [0,2,0,0,0,0|0,1,1]=4 8297 B12R1.37 CC#CCNCCc1cccs1 2230a_100000685387_100000748579 [0,2,0,0,0,0|0,1,1]=4 8298 B12R1.37 CC#CCNCCc1cccs1 34a_100000203755_100000748600 [0,2,0,0,0,0|0,1,1]=4 8299 B12R1.37 CC#CCNCCc1cccs1 34a_100000685387_100000748579 [0,2,0,0,0,0|0,1,1]=4 8300 B12R1.37 CC#CCOCCc1cccs1 34a_100000761923_100000748579 [0,2,0,0,0,0|0,1,1]=4 8301 B12R1.37 CC#CCOCCc1cccs1 34a_100011216825_100000748600 [0,2,0,0,0,0|0,1,1]=4 8302 B12R1.37 CC#CCOCCc1cccs1 7a_100011216825_100000748600 [0,2,0,0,0,0|0,1,1]=4 8303 B12R1.37 CC#CCSCCc1cccs1 62a_100000748579_100000748600 [0,2,0,0,0,0|0,1,1]=4 8304 B12R1.37 CC#CCSCCc1cccs1 62a_100000748600_100000748579 [0,2,0,0,0,0|0,1,1]=4 8305 B12R1.37 CC/C=C\CCSc1ccco1 62a_100009814098_100015370543 [0,2,0,0,0,0|0,0,1]=3 8306 B12R1.37 CC/C=C\CCSc1ccco1 62a_100015370543_100009814098 [0,2,0,0,0,0|0,0,1]=3 8307 B12R1.37 CC/C=C\CCSc1cccs1 62a_100011215356_100015370543 [0,2,0,0,0,0|0,1,1]=4 8308 B12R1.37 CC/C=C\CCSc1cccs1 62a_100015370543_100011215356 [0,2,0,0,0,0|0,1,1]=4 8309 B12R1.37 CC/C=C\CCSc1cnco1 62a_100015370543_100020591547 [0,2,0,0,0,0|1,0,1]=4 8310 B12R1.37 CC/C=C\CCSc1cnco1 62a_100020591547_100015370543 [0,2,0,0,0,0|1,0,1]=4 8311 B12R1.37 CC/C=C\CCSc1ncco1 62a_100011787736_100015370543 [0,2,0,0,0,0|1,0,1]=4 8312 B12R1.37 CC/C=C\CCSc1ncco1 62a_100015370543_100011787736 [0,2,0,0,0,0|1,0,1]=4 8313 B12R1.37 CC/C=C\CNCc1ccco1 2230a_100000185738_100103147603 [0,2,0,0,0,0|0,0,1]=3 8314 B12R1.37 CC/C=C\CNCc1ccco1 34a_100000185738_100103147603 [0,2,0,0,0,0|0,0,1]=3 8315 B12R1.37 CC/C=C\CNCc1cccs1 2230a_100000211653_100103147603 [0,2,0,0,0,0|0,1,1]=4 8316 B12R1.37 CC/C=C\CNCc1ncco1 2230a_100016994969_100103147603 [0,2,0,0,0,0|1,0,1]=4 8317 B12R1.37 CC/C=C\COCc1ccco1 34a_100000210059_100103147603 [0,2,0,0,0,0|0,0,1]=3 8318 B12R1.37 CC/C=C\COCc1cccs1 34a_100000211240_100103147603 [0,2,0,0,0,0|0,1,1]=4 8319 B12R1.37 CC/C=C\COCc1ccno1 34a_100000740478_100103147603 [0,2,0,0,0,0|1,0,1]=4 8320 B12R1.37 CC/C=C\COCc1ncco1 34a_100000062594_100103147603 [0,2,0,0,0,0|1,0,1]=4 8321 B12R1.37 CC/C=C\COCc1ncco1 34a_100016268518_103436540062 [0,2,0,0,0,0|1,0,1]=4 8322 B12R1.37 CC/C=C\CSCc1ncco1 62a_100103147603_103436540062 [0,2,0,0,0,0|1,0,1]=4 8323 B12R1.37 CC/C=C\CSCc1ncco1 62a_103436540062_100103147603 [0,2,0,0,0,0|1,0,1]=4 8324 B12R1.37 CC=CCNCCc1ccco1 2230a_100000694680_100000070051 [0,2,0,0,0,0|0,0,1]=3 8325 B12R1.37 CC=CCNCCc1ccco1 34a_100000694680_100000070051 [0,2,0,0,0,0|0,0,1]=3 8326 B12R1.37 CC=CCNCCc1cccs1 2230a_100000203755_100000070051 [0,2,0,0,0,0|0,1,1]=4 8327 B12R1.37 CC=CCNCCc1cccs1 34a_100000203755_100000070051 [0,2,0,0,0,0|0,1,1]=4 8328 B12R1.37 CC=CCOCCc1cccs1 34a_100011216825_100000070051 [0,2,0,0,0,0|0,1,1]=4 8329 B12R1.37 CC=CCOCCc1cccs1 7a_100011216825_100000070051 [0,2,0,0,0,0|0,1,1]=4 8330 B12R1.37 CC=CCSCCc1cccs1 62a_100000070051_100000748579 [0,2,0,0,0,0|0,1,1]=4 8331 B12R1.37 CC=CCSCCc1cccs1 62a_100000748579_100000070051 [0,2,0,0,0,0|0,1,1]=4 8332 B12R1.37 CCC#CCNCc1ccco1 2230a_100000185738_100009813939 [0,2,0,0,0,0|0,0,1]=3 8333 B12R1.37 CCC#CCNCc1ccco1 34a_100000185738_100009813939 [0,2,0,0,0,0|0,0,1]=3 8334 B12R1.37 CCC#CCNCc1cccs1 2230a_100000211653_100009813939 [0,2,0,0,0,0|0,1,1]=4 8335 B12R1.37 CCC#CCNCc1ncco1 2230a_100016994969_100009813939 [0,2,0,0,0,0|1,0,1]=4 8336 B12R1.37 CCC#CCOCc1ccco1 34a_100000210059_100009813939 [0,2,0,0,0,0|0,0,1]=3 8337 B12R1.37 CCC#CCOCc1cccs1 34a_100000211240_100009813939 [0,2,0,0,0,0|0,1,1]=4 8338 B12R1.37 CCC#CCOCc1ccno1 34a_100000740478_100009813939 [0,2,0,0,0,0|1,0,1]=4 8339 B12R1.37 CCC#CCOCc1ncco1 34a_100000032950_103436540062 [0,2,0,0,0,0|1,0,1]=4 8340 B12R1.37 CCC#CCOCc1ncco1 34a_100000062594_100009813939 [0,2,0,0,0,0|1,0,1]=4 8341 B12R1.37 CCC#CCSCc1ncco1 62a_100009813939_103436540062 [0,2,0,0,0,0|1,0,1]=4 8342 B12R1.37 CCC#CCSCc1ncco1 62a_103436540062_100009813939 [0,2,0,0,0,0|1,0,1]=4 8343 B12R1.37 CCCCCC=Cc1c[nH]cn1 271570a_100000062253_100000756875 [0,2,0,0,0,0|2,0,0]=4 8344 B12R1.37 CCCCCC=Cc1cc[nH]n1 271570a_100000062253_100000062575 [0,2,0,0,0,0|2,0,0]=4 8345 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,2,0,0,0,0|0,0,0]=2 8346 B12R1.37 CCCCCC=Cc1cccs1 271570a_100000062253_100011215356 [0,2,0,0,0,0|0,1,0]=3 8347 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.37 CCCCCC=Cc1ccsc1 271570a_100000062253_100000738268 [0,2,0,0,0,0|2,0,0]=4 8349 B12R1.37 CCCCCC=Cc1ccsn1 271570a_100000062253_100009818082 [0,2,0,0,0,0|2,0,0]=4 8350 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,2,0,0,0,0|1,0,0]=3 8351 B12R1.37 CCCCCC=Cc1cncs1 271570a_100000062253_100011934649 [0,2,0,0,0,0|1,1,0]=4 8352 B12R1.37 CCCCCC=Cc1cscn1 271570a_100000062253_100000751502 [0,2,0,0,0,0|2,0,0]=4 8353 B12R1.37 CCCCCC=Cc1ncc[nH]1 271570a_100000062253_100025796157 [0,2,0,0,0,0|2,0,0]=4 8354 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,2,0,0,0,0|1,0,0]=3 8355 B12R1.37 CCCCCC=Cc1nccs1 271570a_100000062253_100000211983 [0,2,0,0,0,0|1,1,0]=4 8356 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.37 CCCCCCSc1c[nH]cn1 62a_100000210314_100000756875 [0,2,0,0,0,0|2,0,0]=4 8359 B12R1.37 CCCCCCSc1c[nH]cn1 62a_100000756875_100000210757 [0,2,0,0,0,0|2,0,0]=4 8360 B12R1.37 CCCCCCSc1cc[nH]n1 62a_100000062575_100000210757 [0,2,0,0,0,0|2,0,0]=4 8361 B12R1.37 CCCCCCSc1cc[nH]n1 62a_100000210314_100000062575 [0,2,0,0,0,0|2,0,0]=4 8362 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,2,0,0,0,0|0,0,0]=2 8363 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,2,0,0,0,0|0,0,0]=2 8364 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [0,2,0,0,0,0|0,1,0]=3 8365 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [0,2,0,0,0,0|0,1,0]=3 8366 B12R1.37 CCCCCCSc1ccoc1 62a_100000210314_100011215275 [0,2,0,0,0,0|2,0,0]=4 8367 B12R1.37 CCCCCCSc1ccoc1 62a_100011215275_100000210757 [0,2,0,0,0,0|2,0,0]=4 8368 B12R1.37 CCCCCCSc1ccon1 62a_100000210314_100009818083 [0,2,0,0,0,0|2,0,0]=4 8369 B12R1.37 CCCCCCSc1ccon1 62a_100009818083_100000210757 [0,2,0,0,0,0|2,0,0]=4 8370 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,2,0,0,0,0|2,0,0]=4 8371 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,2,0,0,0,0|2,0,0]=4 8372 B12R1.37 CCCCCCSc1ccsn1 62a_100000210314_100009818082 [0,2,0,0,0,0|2,0,0]=4 8373 B12R1.37 CCCCCCSc1ccsn1 62a_100009818082_100000210757 [0,2,0,0,0,0|2,0,0]=4 8374 B12R1.37 CCCCCCSc1cnco1 62a_100000210314_100020591547 [0,2,0,0,0,0|1,0,0]=3 8375 B12R1.37 CCCCCCSc1cnco1 62a_100020591547_100000210757 [0,2,0,0,0,0|1,0,0]=3 8376 B12R1.37 CCCCCCSc1cncs1 62a_100000210314_100011934649 [0,2,0,0,0,0|1,1,0]=4 8377 B12R1.37 CCCCCCSc1cncs1 62a_100011934649_100000210757 [0,2,0,0,0,0|1,1,0]=4 8378 B12R1.37 CCCCCCSc1cscn1 62a_100000210314_100000751502 [0,2,0,0,0,0|2,0,0]=4 8379 B12R1.37 CCCCCCSc1cscn1 62a_100000751502_100000210757 [0,2,0,0,0,0|2,0,0]=4 8380 B12R1.37 CCCCCCSc1ncc[nH]1 62a_100000210314_100025796157 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.37 CCCCCCSc1ncc[nH]1 62a_100025796157_100000210757 [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.37 CCCCCCSc1ncco1 62a_100000210314_100011787736 [0,2,0,0,0,0|1,0,0]=3 8383 B12R1.37 CCCCCCSc1ncco1 62a_100011787736_100000210757 [0,2,0,0,0,0|1,0,0]=3 8384 B12R1.37 CCCCCCSc1nccs1 62a_100000210314_100000211983 [0,2,0,0,0,0|1,1,0]=4 8385 B12R1.37 CCCCCCSc1nccs1 62a_100000211983_100000210757 [0,2,0,0,0,0|1,1,0]=4 8386 B12R1.37 CCCCCNCc1c[nH]cn1 2230a_100000209983_100000707719 [0,2,0,0,0,0|2,0,0]=4 8387 B12R1.37 CCCCCNCc1cc[nH]n1 207a_100000209983_100000738523 [0,2,0,0,0,0|2,0,0]=4 8388 B12R1.37 CCCCCNCc1cc[nH]n1 270004a_100000209983_100000738523 [0,2,0,0,0,0|2,0,0]=4 8389 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,2,0,0,0,0|0,0,0]=2 8390 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,2,0,0,0,0|0,0,0]=2 8391 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,2,0,0,0,0|0,0,0]=2 8392 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,2,0,0,0,0|0,0,0]=2 8393 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [0,2,0,0,0,0|0,1,0]=3 8394 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [0,2,0,0,0,0|0,1,0]=3 8395 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [0,2,0,0,0,0|0,1,0]=3 8396 B12R1.37 CCCCCNCc1ccn[nH]1 2230a_100000209983_100000728653 [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.37 CCCCCNCc1ccoc1 207a_100000209983_100011215517 [0,2,0,0,0,0|2,0,0]=4 8398 B12R1.37 CCCCCNCc1ccoc1 2230a_100015206860_100000210326 [0,2,0,0,0,0|2,0,0]=4 8399 B12R1.37 CCCCCNCc1ccoc1 270004a_100000209983_100011215517 [0,2,0,0,0,0|2,0,0]=4 8400 B12R1.37 CCCCCNCc1ccoc1 34a_100015206860_100000718602 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.37 CCCCCNCc1ccon1 2230a_100000209983_100000234950 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,2,0,0,0,0|2,0,0]=4 8405 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,2,0,0,0,0|2,0,0]=4 8406 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.37 CCCCCNCc1cnc[nH]1 207a_100000209983_100000742939 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.37 CCCCCNCc1cnco1 270004a_100000209983_100000064291 [0,2,0,0,0,0|1,0,0]=3 8409 B12R1.37 CCCCCNCc1cncs1 207a_100000209983_100000749870 [0,2,0,0,0,0|1,1,0]=4 8410 B12R1.37 CCCCCNCc1cncs1 2230a_100000209983_100015185245 [0,2,0,0,0,0|1,1,0]=4 8411 B12R1.37 CCCCCNCc1cncs1 2230a_100016987365_100000210326 [0,2,0,0,0,0|1,1,0]=4 8412 B12R1.37 CCCCCNCc1cncs1 270004a_100000209983_100000749870 [0,2,0,0,0,0|1,1,0]=4 8413 B12R1.37 CCCCCNCc1cocn1 270004a_100000209983_100000050382 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.37 CCCCCNCc1cscn1 207a_100000209983_100000743575 [0,2,0,0,0,0|2,0,0]=4 8415 B12R1.37 CCCCCNCc1cscn1 2230a_100000209983_100000205941 [0,2,0,0,0,0|2,0,0]=4 8416 B12R1.37 CCCCCNCc1cscn1 2230a_100015185402_100000210326 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.37 CCCCCNCc1cscn1 270004a_100000209983_100000743575 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.37 CCCCCNCc1ncc[nH]1 207a_100000209983_100000743867 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.37 CCCCCNCc1ncc[nH]1 2230a_100000209983_100016991755 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.37 CCCCCNCc1ncco1 2230a_100000209983_103436540062 [0,2,0,0,0,0|1,0,0]=3 8421 B12R1.37 CCCCCNCc1ncco1 2230a_100016994969_100000210326 [0,2,0,0,0,0|1,0,0]=3 8422 B12R1.37 CCCCCNCc1ncco1 270004a_100000209983_100000064290 [0,2,0,0,0,0|1,0,0]=3 8423 B12R1.37 CCCCCNCc1nccs1 207a_100000209983_100000750902 [0,2,0,0,0,0|1,1,0]=4 8424 B12R1.37 CCCCCNCc1nccs1 2230a_100000209983_100015184050 [0,2,0,0,0,0|1,1,0]=4 8425 B12R1.37 CCCCCNCc1nccs1 2230a_100000740555_100000210326 [0,2,0,0,0,0|1,1,0]=4 8426 B12R1.37 CCCCCNCc1nccs1 270004a_100000209983_100000750902 [0,2,0,0,0,0|1,1,0]=4 8427 B12R1.37 CCCCCNN=C1C=CCC1 4a_100000694160_100000239507 [0,2,0,0,0,0|1,0,1]=4 8428 B12R1.37 CCCCCNN=C1CC=CC1 4a_100000694160_100000766571 [0,2,0,0,0,0|1,0,1]=4 8429 B12R1.37 CCCCCOCc1c[nH]cn1 34a_100000210253_100000707719 [0,2,0,0,0,0|2,0,0]=4 8430 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,2,0,0,0,0|0,0,0]=2 8431 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [0,2,0,0,0,0|0,1,0]=3 8432 B12R1.37 CCCCCOCc1ccn[nH]1 34a_100000210253_100000728653 [0,2,0,0,0,0|2,0,0]=4 8433 B12R1.37 CCCCCOCc1ccn[nH]1 7a_100000210253_100000728653 [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.37 CCCCCOCc1ccno1 34a_100000740478_100000718602 [0,2,0,0,0,0|1,0,0]=3 8435 B12R1.37 CCCCCOCc1ccoc1 34a_100011215357_100000718602 [0,2,0,0,0,0|2,0,0]=4 8436 B12R1.37 CCCCCOCc1ccon1 34a_100000210253_100000234950 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.37 CCCCCOCc1ccon1 7a_100000210253_100000234950 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,2,0,0,0,0|2,0,0]=4 8439 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,2,0,0,0,0|2,0,0]=4 8440 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.37 CCCCCOCc1cncs1 34a_100000210253_100015185245 [0,2,0,0,0,0|1,1,0]=4 8442 B12R1.37 CCCCCOCc1cncs1 7a_100000210253_100015185245 [0,2,0,0,0,0|1,1,0]=4 8443 B12R1.37 CCCCCOCc1cscn1 34a_100000210253_100000205941 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.37 CCCCCOCc1cscn1 7a_100000210253_100000205941 [0,2,0,0,0,0|2,0,0]=4 8445 B12R1.37 CCCCCOCc1ncc[nH]1 34a_100000210253_100016991755 [0,2,0,0,0,0|2,0,0]=4 8446 B12R1.37 CCCCCOCc1ncc[nH]1 7a_100000210253_100000753453 [0,2,0,0,0,0|2,0,0]=4 8447 B12R1.37 CCCCCOCc1ncco1 34a_100000062594_100000718602 [0,2,0,0,0,0|1,0,0]=3 8448 B12R1.37 CCCCCOCc1ncco1 34a_100000210253_103436540062 [0,2,0,0,0,0|1,0,0]=3 8449 B12R1.37 CCCCCOCc1ncco1 7a_100000210253_103436540062 [0,2,0,0,0,0|1,0,0]=3 8450 B12R1.37 CCCCCOCc1nccs1 34a_100000210253_100015184050 [0,2,0,0,0,0|1,1,0]=4 8451 B12R1.37 CCCCCOCc1nccs1 7a_100000210253_100015184050 [0,2,0,0,0,0|1,1,0]=4 8452 B12R1.37 CCCCCOCn1cccn1 34a_100000731028_100000718602 [0,2,0,0,0,0|2,0,0]=4 8453 B12R1.37 CCCCCSCc1c[nH]cn1 62a_100000210326_100000707719 [0,2,0,0,0,0|2,0,0]=4 8454 B12R1.37 CCCCCSCc1c[nH]cn1 62a_100000707719_100000210326 [0,2,0,0,0,0|2,0,0]=4 8455 B12R1.37 CCCCCSCc1ccn[nH]1 62a_100000210326_100000728653 [0,2,0,0,0,0|2,0,0]=4 8456 B12R1.37 CCCCCSCc1ccn[nH]1 62a_100000728653_100000210326 [0,2,0,0,0,0|2,0,0]=4 8457 B12R1.37 CCCCCSCc1ccon1 62a_100000210326_100000234950 [0,2,0,0,0,0|2,0,0]=4 8458 B12R1.37 CCCCCSCc1ccon1 62a_100000234950_100000210326 [0,2,0,0,0,0|2,0,0]=4 8459 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,2,0,0,0,0|2,0,0]=4 8460 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,2,0,0,0,0|2,0,0]=4 8461 B12R1.37 CCCCCSCc1cncs1 62a_100000210326_100015185245 [0,2,0,0,0,0|1,1,0]=4 8462 B12R1.37 CCCCCSCc1cncs1 62a_100015185245_100000210326 [0,2,0,0,0,0|1,1,0]=4 8463 B12R1.37 CCCCCSCc1cscn1 62a_100000205941_100000210326 [0,2,0,0,0,0|2,0,0]=4 8464 B12R1.37 CCCCCSCc1cscn1 62a_100000210326_100000205941 [0,2,0,0,0,0|2,0,0]=4 8465 B12R1.37 CCCCCSCc1ncc[nH]1 62a_100000210326_100016991755 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.37 CCCCCSCc1ncc[nH]1 62a_100016991755_100000210326 [0,2,0,0,0,0|2,0,0]=4 8467 B12R1.37 CCCCCSCc1ncco1 62a_100000210326_103436540062 [0,2,0,0,0,0|1,0,0]=3 8468 B12R1.37 CCCCCSCc1ncco1 62a_103436540062_100000210326 [0,2,0,0,0,0|1,0,0]=3 8469 B12R1.37 CCCCCSCc1nccs1 62a_100000210326_100015184050 [0,2,0,0,0,0|1,1,0]=4 8470 B12R1.37 CCCCCSCc1nccs1 62a_100015184050_100000210326 [0,2,0,0,0,0|1,1,0]=4 8471 B12R1.37 CCCCNCCc1c[nH]cn1 2230a_100000102301_100020628418 [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.37 CCCCNCCc1c[nH]cn1 7a_106832991798_100020628418 [0,2,0,0,0,0|2,0,0]=4 8473 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,2,0,0,0,0|0,0,0]=2 8474 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,2,0,0,0,0|0,0,0]=2 8475 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [0,2,0,0,0,0|0,1,0]=3 8476 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [0,2,0,0,0,0|0,1,0]=3 8477 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [0,2,0,0,0,0|0,1,0]=3 8478 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [0,2,0,0,0,0|0,1,0]=3 8479 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,2,0,0,0,0|2,0,0]=4 8480 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,2,0,0,0,0|2,0,0]=4 8481 B12R1.37 CCCCNCCc1cncs1 2230a_100016991637_100000210211 [0,2,0,0,0,0|1,1,0]=4 8482 B12R1.37 CCCCNCCc1nccs1 2230a_100015186391_100000210211 [0,2,0,0,0,0|1,1,0]=4 8483 B12R1.37 CCCCNCCn1cccc1 2230a_100000102301_200009811947 [0,2,0,0,0,0|2,0,0]=4 8484 B12R1.37 CCCCNCCn1cccc1 34a_100011368172_100000210210 [0,2,0,0,0,0|2,0,0]=4 8485 B12R1.37 CCCCNCCn1cccc1 7a_106832991798_200000035178 [0,2,0,0,0,0|2,0,0]=4 8486 B12R1.37 CCCCNCCn1cccn1 2230a_100000102301_100000685285 [0,2,0,0,0,0|2,0,0]=4 8487 B12R1.37 CCCCNCCn1cccn1 2230a_100011200920_100000210211 [0,2,0,0,0,0|2,0,0]=4 8488 B12R1.37 CCCCNCCn1cccn1 7a_106832991798_100000685285 [0,2,0,0,0,0|2,0,0]=4 8489 B12R1.37 CCCCNN=Cc1ccc[nH]1 4a_100025702795_100000211237 [0,2,0,0,0,0|1,0,1]=4 8490 B12R1.37 CCCCNN=Cc1ccco1 4a_100025702795_100000186105 [0,2,0,0,0,0|0,0,1]=3 8491 B12R1.37 CCCCNN=Cc1cccs1 4a_100025702795_100000209959 [0,2,0,0,0,0|0,1,1]=4 8492 B12R1.37 CCCCNN=Cc1cnco1 4a_100025702795_100000064291 [0,2,0,0,0,0|1,0,1]=4 8493 B12R1.37 CCCCNN=Cc1ncco1 4a_100025702795_100000064290 [0,2,0,0,0,0|1,0,1]=4 8494 B12R1.37 CCCCOCCc1c[nH]cn1 7a_100000210227_100020628418 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,2,0,0,0,0|0,1,0]=3 8496 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,2,0,0,0,0|0,1,0]=3 8497 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,2,0,0,0,0|0,1,0]=3 8498 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,2,0,0,0,0|0,1,0]=3 8499 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,2,0,0,0,0|2,0,0]=4 8500 B12R1.37 CCCCOCCc1ncc[nH]1 34a_103549771195_100000210210 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.37 CCCCOCCn1cccc1 34a_100000179382_100000210210 [0,2,0,0,0,0|2,0,0]=4 8502 B12R1.37 CCCCOCCn1cccc1 7a_100000210227_200000035178 [0,2,0,0,0,0|2,0,0]=4 8503 B12R1.37 CCCCOCCn1cccn1 34a_100000210227_100015204718 [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.37 CCCCOCCn1cccn1 34a_100000743371_100000210210 [0,2,0,0,0,0|2,0,0]=4 8505 B12R1.37 CCCCOCCn1cccn1 7a_100000210227_100000685285 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [0,2,0,0,0,0|2,0,0]=4 8507 B12R1.37 CCCCOCSc1c[nH]cn1 62a_100000756875_100011995733 [0,2,0,0,0,0|2,0,0]=4 8508 B12R1.37 CCCCOCSc1c[nH]cn1 62a_100011995733_100000756875 [0,2,0,0,0,0|2,0,0]=4 8509 B12R1.37 CCCCOCSc1cc[nH]n1 62a_100000062575_100011995733 [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.37 CCCCOCSc1cc[nH]n1 62a_100011995733_100000062575 [0,2,0,0,0,0|2,0,0]=4 8511 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [0,2,0,0,0,0|0,0,0]=2 8512 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [0,2,0,0,0,0|0,0,0]=2 8513 B12R1.37 CCCCOCSc1cccs1 62a_100011215356_100011995733 [0,2,0,0,0,0|0,1,0]=3 8514 B12R1.37 CCCCOCSc1cccs1 62a_100011995733_100011215356 [0,2,0,0,0,0|0,1,0]=3 8515 B12R1.37 CCCCOCSc1ccoc1 62a_100011215275_100011995733 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.37 CCCCOCSc1ccoc1 62a_100011995733_100011215275 [0,2,0,0,0,0|2,0,0]=4 8517 B12R1.37 CCCCOCSc1ccon1 62a_100009818083_100011995733 [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.37 CCCCOCSc1ccon1 62a_100011995733_100009818083 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [0,2,0,0,0,0|2,0,0]=4 8520 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.37 CCCCOCSc1ccsn1 62a_100009818082_100011995733 [0,2,0,0,0,0|2,0,0]=4 8522 B12R1.37 CCCCOCSc1ccsn1 62a_100011995733_100009818082 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.37 CCCCOCSc1cnco1 62a_100011995733_100020591547 [0,2,0,0,0,0|1,0,0]=3 8524 B12R1.37 CCCCOCSc1cnco1 62a_100020591547_100011995733 [0,2,0,0,0,0|1,0,0]=3 8525 B12R1.37 CCCCOCSc1cncs1 62a_100011934649_100011995733 [0,2,0,0,0,0|1,1,0]=4 8526 B12R1.37 CCCCOCSc1cncs1 62a_100011995733_100011934649 [0,2,0,0,0,0|1,1,0]=4 8527 B12R1.37 CCCCOCSc1cscn1 62a_100000751502_100011995733 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.37 CCCCOCSc1cscn1 62a_100011995733_100000751502 [0,2,0,0,0,0|2,0,0]=4 8529 B12R1.37 CCCCOCSc1ncc[nH]1 62a_100011995733_100025796157 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.37 CCCCOCSc1ncc[nH]1 62a_100025796157_100011995733 [0,2,0,0,0,0|2,0,0]=4 8531 B12R1.37 CCCCOCSc1ncco1 62a_100011787736_100011995733 [0,2,0,0,0,0|1,0,0]=3 8532 B12R1.37 CCCCOCSc1ncco1 62a_100011995733_100011787736 [0,2,0,0,0,0|1,0,0]=3 8533 B12R1.37 CCCCOCSc1nccs1 62a_100000211983_100011995733 [0,2,0,0,0,0|1,1,0]=4 8534 B12R1.37 CCCCOCSc1nccs1 62a_100011995733_100000211983 [0,2,0,0,0,0|1,1,0]=4 8535 B12R1.37 CCCCSCCc1c[nH]cn1 62a_100000210211_100020628418 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.37 CCCCSCCc1c[nH]cn1 62a_100020628418_100000210210 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [0,2,0,0,0,0|0,1,0]=3 8538 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [0,2,0,0,0,0|0,1,0]=3 8539 B12R1.37 CCCCSCCn1cccc1 62a_100000210211_200000035178 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.37 CCCCSCCn1cccc1 62a_200009811947_100000210210 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.37 CCCCSCCn1cccn1 62a_100000210211_100000685285 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.37 CCCCSCCn1cccn1 62a_100015204718_100000210210 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.37 CCCNCC=Cc1ccco1 270004a_100020643023_100000185671 [0,2,0,0,0,0|0,0,1]=3 8544 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,2,0,0,0,0|0,1,0]=3 8545 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,2,0,0,0,0|0,1,0]=3 8546 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,2,0,0,0,0|0,1,0]=3 8547 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,2,0,0,0,0|2,0,0]=4 8548 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,2,0,0,0,0|2,0,0]=4 8549 B12R1.37 CCCOCCCn1cccc1 34a_100000179399_100000210303 [0,2,0,0,0,0|2,0,0]=4 8550 B12R1.37 CCCOCCCn1cccc1 34a_100000210258_200009814367 [0,2,0,0,0,0|2,0,0]=4 8551 B12R1.37 CCCOCCCn1cccc1 7a_100000179399_100000210303 [0,2,0,0,0,0|2,0,0]=4 8552 B12R1.37 CCCOCCCn1cccn1 34a_100000753614_100000210303 [0,2,0,0,0,0|2,0,0]=4 8553 B12R1.37 CCCOCCOc1ccsc1 34a_100000106738_100011215938 [0,2,0,0,0,0|2,0,0]=4 8554 B12R1.37 CCCOCCOc1ccsc1 7a_100000106738_100011215938 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.37 CCCOCCSc1c[nH]cn1 62a_100000756875_100011215938 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.37 CCCOCCSc1c[nH]cn1 62a_100011215938_100000756875 [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.37 CCCOCCSc1cc[nH]n1 62a_100000062575_100011215938 [0,2,0,0,0,0|2,0,0]=4 8558 B12R1.37 CCCOCCSc1cc[nH]n1 62a_100011215938_100000062575 [0,2,0,0,0,0|2,0,0]=4 8559 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [0,2,0,0,0,0|0,0,0]=2 8560 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [0,2,0,0,0,0|0,0,0]=2 8561 B12R1.37 CCCOCCSc1cccs1 62a_100011215356_100011215938 [0,2,0,0,0,0|0,1,0]=3 8562 B12R1.37 CCCOCCSc1cccs1 62a_100011215938_100011215356 [0,2,0,0,0,0|0,1,0]=3 8563 B12R1.37 CCCOCCSc1ccoc1 62a_100011215275_100011215938 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.37 CCCOCCSc1ccoc1 62a_100011215938_100011215275 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.37 CCCOCCSc1ccon1 62a_100009818083_100011215938 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.37 CCCOCCSc1ccon1 62a_100011215938_100009818083 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.37 CCCOCCSc1ccsc1 62a_100000738268_100011215938 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.37 CCCOCCSc1ccsc1 62a_100011215938_100000738268 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.37 CCCOCCSc1ccsn1 62a_100009818082_100011215938 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.37 CCCOCCSc1ccsn1 62a_100011215938_100009818082 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.37 CCCOCCSc1cnco1 62a_100011215938_100020591547 [0,2,0,0,0,0|1,0,0]=3 8572 B12R1.37 CCCOCCSc1cnco1 62a_100020591547_100011215938 [0,2,0,0,0,0|1,0,0]=3 8573 B12R1.37 CCCOCCSc1cncs1 62a_100011215938_100011934649 [0,2,0,0,0,0|1,1,0]=4 8574 B12R1.37 CCCOCCSc1cncs1 62a_100011934649_100011215938 [0,2,0,0,0,0|1,1,0]=4 8575 B12R1.37 CCCOCCSc1cscn1 62a_100000751502_100011215938 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.37 CCCOCCSc1cscn1 62a_100011215938_100000751502 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.37 CCCOCCSc1ncc[nH]1 62a_100011215938_100025796157 [0,2,0,0,0,0|2,0,0]=4 8578 B12R1.37 CCCOCCSc1ncc[nH]1 62a_100025796157_100011215938 [0,2,0,0,0,0|2,0,0]=4 8579 B12R1.37 CCCOCCSc1ncco1 62a_100011215938_100011787736 [0,2,0,0,0,0|1,0,0]=3 8580 B12R1.37 CCCOCCSc1ncco1 62a_100011787736_100011215938 [0,2,0,0,0,0|1,0,0]=3 8581 B12R1.37 CCCOCCSc1nccs1 62a_100000211983_100011215938 [0,2,0,0,0,0|1,1,0]=4 8582 B12R1.37 CCCOCCSc1nccs1 62a_100011215938_100000211983 [0,2,0,0,0,0|1,1,0]=4 8583 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [0,2,0,0,0,0|0,1,0]=3 8584 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [0,2,0,0,0,0|0,1,0]=3 8585 B12R1.37 CCCSCCCn1cccc1 62a_100000210303_200009814367 [0,2,0,0,0,0|2,0,0]=4 8586 B12R1.37 CCCSCCCn1cccc1 62a_200009814367_100000210303 [0,2,0,0,0,0|2,0,0]=4 8587 B12R1.37 CCCSCCCn1cccn1 62a_100000210303_100000739983 [0,2,0,0,0,0|2,0,0]=4 8588 B12R1.37 CCCSCCCn1cccn1 62a_100000739983_100000210303 [0,2,0,0,0,0|2,0,0]=4 8589 B12R1.37 CCNCCSCc1ccco1 2230a_100000184675_100000210202 [0,2,0,0,0,0|0,0,0]=2 8590 B12R1.37 CCNCCSCc1ccco1 7a_100000184675_100000210202 [0,2,0,0,0,0|0,0,0]=2 8591 B12R1.37 CCOCCCOc1ccsc1 34a_100000106738_100012232248 [0,2,0,0,0,0|2,0,0]=4 8592 B12R1.37 CCOCCCOc1ccsc1 7a_100000106738_100012232248 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.37 CCOCCCSc1c[nH]cn1 62a_100000756875_100012232248 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.37 CCOCCCSc1c[nH]cn1 62a_100012232248_100000756875 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.37 CCOCCCSc1cc[nH]n1 62a_100000062575_100012232248 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.37 CCOCCCSc1cc[nH]n1 62a_100012232248_100000062575 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [0,2,0,0,0,0|0,0,0]=2 8598 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [0,2,0,0,0,0|0,0,0]=2 8599 B12R1.37 CCOCCCSc1cccs1 62a_100011215356_100012232248 [0,2,0,0,0,0|0,1,0]=3 8600 B12R1.37 CCOCCCSc1cccs1 62a_100012232248_100011215356 [0,2,0,0,0,0|0,1,0]=3 8601 B12R1.37 CCOCCCSc1ccoc1 62a_100011215275_100012232248 [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.37 CCOCCCSc1ccoc1 62a_100012232248_100011215275 [0,2,0,0,0,0|2,0,0]=4 8603 B12R1.37 CCOCCCSc1ccon1 62a_100009818083_100012232248 [0,2,0,0,0,0|2,0,0]=4 8604 B12R1.37 CCOCCCSc1ccon1 62a_100012232248_100009818083 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.37 CCOCCCSc1ccsc1 62a_100000738268_100012232248 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.37 CCOCCCSc1ccsc1 62a_100012232248_100000738268 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.37 CCOCCCSc1ccsn1 62a_100009818082_100012232248 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.37 CCOCCCSc1ccsn1 62a_100012232248_100009818082 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.37 CCOCCCSc1cnco1 62a_100012232248_100020591547 [0,2,0,0,0,0|1,0,0]=3 8610 B12R1.37 CCOCCCSc1cnco1 62a_100020591547_100012232248 [0,2,0,0,0,0|1,0,0]=3 8611 B12R1.37 CCOCCCSc1cncs1 62a_100011934649_100012232248 [0,2,0,0,0,0|1,1,0]=4 8612 B12R1.37 CCOCCCSc1cncs1 62a_100012232248_100011934649 [0,2,0,0,0,0|1,1,0]=4 8613 B12R1.37 CCOCCCSc1cscn1 62a_100000751502_100012232248 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.37 CCOCCCSc1cscn1 62a_100012232248_100000751502 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.37 CCOCCCSc1ncc[nH]1 62a_100012232248_100025796157 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.37 CCOCCCSc1ncc[nH]1 62a_100025796157_100012232248 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.37 CCOCCCSc1ncco1 62a_100011787736_100012232248 [0,2,0,0,0,0|1,0,0]=3 8618 B12R1.37 CCOCCCSc1ncco1 62a_100012232248_100011787736 [0,2,0,0,0,0|1,0,0]=3 8619 B12R1.37 CCOCCCSc1nccs1 62a_100000211983_100012232248 [0,2,0,0,0,0|1,1,0]=4 8620 B12R1.37 CCOCCCSc1nccs1 62a_100012232248_100000211983 [0,2,0,0,0,0|1,1,0]=4 8621 B12R1.37 CCOCCNCc1c[nH]cn1 2230a_102516460346_100000707719 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.37 CCOCCNCc1c[nH]cn1 34a_102516460346_100000707719 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.37 CCOCCNCc1cc[nH]n1 207a_100011200944_100000738523 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.37 CCOCCNCc1cc[nH]n1 270004a_102516460346_100000738523 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.37 CCOCCNCc1ccco1 207a_100011200944_100000186105 [0,2,0,0,0,0|0,0,0]=2 8626 B12R1.37 CCOCCNCc1ccco1 2230a_100000185738_100011215890 [0,2,0,0,0,0|0,0,0]=2 8627 B12R1.37 CCOCCNCc1ccco1 270004a_102516460346_100000186105 [0,2,0,0,0,0|0,0,0]=2 8628 B12R1.37 CCOCCNCc1ccco1 34a_100000185738_100000210147 [0,2,0,0,0,0|0,0,0]=2 8629 B12R1.37 CCOCCNCc1cccs1 207a_100011200944_100000209959 [0,2,0,0,0,0|0,1,0]=3 8630 B12R1.37 CCOCCNCc1cccs1 2230a_100000211653_100011215890 [0,2,0,0,0,0|0,1,0]=3 8631 B12R1.37 CCOCCNCc1cccs1 270004a_102516460346_100000209959 [0,2,0,0,0,0|0,1,0]=3 8632 B12R1.37 CCOCCNCc1ccn[nH]1 2230a_102516460346_100000728653 [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.37 CCOCCNCc1ccn[nH]1 34a_102516460346_100000728653 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.37 CCOCCNCc1ccoc1 207a_100011200944_100011215517 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.37 CCOCCNCc1ccoc1 2230a_100015206860_100011215890 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.37 CCOCCNCc1ccoc1 270004a_102516460346_100011215517 [0,2,0,0,0,0|2,0,0]=4 8637 B12R1.37 CCOCCNCc1ccoc1 34a_100015206860_100000210147 [0,2,0,0,0,0|2,0,0]=4 8638 B12R1.37 CCOCCNCc1ccon1 2230a_102516460346_100000234950 [0,2,0,0,0,0|2,0,0]=4 8639 B12R1.37 CCOCCNCc1ccon1 34a_102516460346_100000234950 [0,2,0,0,0,0|2,0,0]=4 8640 B12R1.37 CCOCCNCc1ccsc1 207a_100011200944_100000188534 [0,2,0,0,0,0|2,0,0]=4 8641 B12R1.37 CCOCCNCc1ccsc1 2230a_100000186416_100011215890 [0,2,0,0,0,0|2,0,0]=4 8642 B12R1.37 CCOCCNCc1ccsc1 2230a_102516460346_100011261437 [0,2,0,0,0,0|2,0,0]=4 8643 B12R1.37 CCOCCNCc1ccsc1 270004a_102516460346_100000188534 [0,2,0,0,0,0|2,0,0]=4 8644 B12R1.37 CCOCCNCc1ccsc1 34a_100000186416_100000210147 [0,2,0,0,0,0|2,0,0]=4 8645 B12R1.37 CCOCCNCc1ccsc1 34a_102516460346_100011261437 [0,2,0,0,0,0|2,0,0]=4 8646 B12R1.37 CCOCCNCc1cnc[nH]1 207a_100011200944_100000742939 [0,2,0,0,0,0|2,0,0]=4 8647 B12R1.37 CCOCCNCc1cnco1 270004a_102516460346_100000064291 [0,2,0,0,0,0|1,0,0]=3 8648 B12R1.37 CCOCCNCc1cncs1 207a_100011200944_100000749870 [0,2,0,0,0,0|1,1,0]=4 8649 B12R1.37 CCOCCNCc1cncs1 2230a_100016987365_100011215890 [0,2,0,0,0,0|1,1,0]=4 8650 B12R1.37 CCOCCNCc1cncs1 2230a_102516460346_100015185245 [0,2,0,0,0,0|1,1,0]=4 8651 B12R1.37 CCOCCNCc1cncs1 270004a_102516460346_100000749870 [0,2,0,0,0,0|1,1,0]=4 8652 B12R1.37 CCOCCNCc1cncs1 34a_102516460346_100015185245 [0,2,0,0,0,0|1,1,0]=4 8653 B12R1.37 CCOCCNCc1cocn1 270004a_102516460346_100000050382 [0,2,0,0,0,0|2,0,0]=4 8654 B12R1.37 CCOCCNCc1cscn1 207a_100011200944_100000743575 [0,2,0,0,0,0|2,0,0]=4 8655 B12R1.37 CCOCCNCc1cscn1 2230a_100015185402_100011215890 [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.37 CCOCCNCc1cscn1 2230a_102516460346_100000205941 [0,2,0,0,0,0|2,0,0]=4 8657 B12R1.37 CCOCCNCc1cscn1 270004a_102516460346_100000743575 [0,2,0,0,0,0|2,0,0]=4 8658 B12R1.37 CCOCCNCc1cscn1 34a_102516460346_100000205941 [0,2,0,0,0,0|2,0,0]=4 8659 B12R1.37 CCOCCNCc1ncc[nH]1 207a_100011200944_100000743867 [0,2,0,0,0,0|2,0,0]=4 8660 B12R1.37 CCOCCNCc1ncc[nH]1 2230a_102516460346_100016991755 [0,2,0,0,0,0|2,0,0]=4 8661 B12R1.37 CCOCCNCc1ncc[nH]1 34a_102516460346_100016991755 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.37 CCOCCNCc1ncco1 2230a_100016994969_100011215890 [0,2,0,0,0,0|1,0,0]=3 8663 B12R1.37 CCOCCNCc1ncco1 2230a_102516460346_103436540062 [0,2,0,0,0,0|1,0,0]=3 8664 B12R1.37 CCOCCNCc1ncco1 270004a_102516460346_100000064290 [0,2,0,0,0,0|1,0,0]=3 8665 B12R1.37 CCOCCNCc1ncco1 34a_102516460346_103436540062 [0,2,0,0,0,0|1,0,0]=3 8666 B12R1.37 CCOCCNCc1nccs1 207a_100011200944_100000750902 [0,2,0,0,0,0|1,1,0]=4 8667 B12R1.37 CCOCCNCc1nccs1 2230a_100000740555_100011215890 [0,2,0,0,0,0|1,1,0]=4 8668 B12R1.37 CCOCCNCc1nccs1 2230a_102516460346_100015184050 [0,2,0,0,0,0|1,1,0]=4 8669 B12R1.37 CCOCCNCc1nccs1 270004a_102516460346_100000750902 [0,2,0,0,0,0|1,1,0]=4 8670 B12R1.37 CCOCCNCc1nccs1 34a_102516460346_100015184050 [0,2,0,0,0,0|1,1,0]=4 8671 B12R1.37 CCOCCOCc1c[nH]cn1 34a_100000210136_100000707719 [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.37 CCOCCOCc1ccco1 34a_100000210059_100000210147 [0,2,0,0,0,0|0,0,0]=2 8673 B12R1.37 CCOCCOCc1cccs1 34a_100000211240_100000210147 [0,2,0,0,0,0|0,1,0]=3 8674 B12R1.37 CCOCCOCc1ccn[nH]1 34a_100000210136_100000728653 [0,2,0,0,0,0|2,0,0]=4 8675 B12R1.37 CCOCCOCc1ccn[nH]1 7a_100000210136_100000728653 [0,2,0,0,0,0|2,0,0]=4 8676 B12R1.37 CCOCCOCc1ccno1 34a_100000740478_100000210147 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.37 CCOCCOCc1ccoc1 34a_100011215357_100000210147 [0,2,0,0,0,0|2,0,0]=4 8678 B12R1.37 CCOCCOCc1ccon1 34a_100000210136_100000234950 [0,2,0,0,0,0|2,0,0]=4 8679 B12R1.37 CCOCCOCc1ccon1 7a_100000210136_100000234950 [0,2,0,0,0,0|2,0,0]=4 8680 B12R1.37 CCOCCOCc1ccsc1 34a_100000210136_100011261437 [0,2,0,0,0,0|2,0,0]=4 8681 B12R1.37 CCOCCOCc1ccsc1 34a_100011215551_100000210147 [0,2,0,0,0,0|2,0,0]=4 8682 B12R1.37 CCOCCOCc1ccsc1 7a_100000210136_100011261437 [0,2,0,0,0,0|2,0,0]=4 8683 B12R1.37 CCOCCOCc1cncs1 34a_100000210136_100015185245 [0,2,0,0,0,0|1,1,0]=4 8684 B12R1.37 CCOCCOCc1cncs1 7a_100000210136_100015185245 [0,2,0,0,0,0|1,1,0]=4 8685 B12R1.37 CCOCCOCc1cscn1 34a_100000210136_100000205941 [0,2,0,0,0,0|2,0,0]=4 8686 B12R1.37 CCOCCOCc1cscn1 7a_100000210136_100000205941 [0,2,0,0,0,0|2,0,0]=4 8687 B12R1.37 CCOCCOCc1ncc[nH]1 34a_100000210136_100016991755 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.37 CCOCCOCc1ncc[nH]1 7a_100000210136_100000753453 [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.37 CCOCCOCc1ncco1 34a_100000062594_100000210147 [0,2,0,0,0,0|1,0,0]=3 8690 B12R1.37 CCOCCOCc1ncco1 34a_100000210136_103436540062 [0,2,0,0,0,0|1,0,0]=3 8691 B12R1.37 CCOCCOCc1ncco1 7a_100000210136_103436540062 [0,2,0,0,0,0|1,0,0]=3 8692 B12R1.37 CCOCCOCc1nccs1 34a_100000210136_100015184050 [0,2,0,0,0,0|1,1,0]=4 8693 B12R1.37 CCOCCOCc1nccs1 7a_100000210136_100015184050 [0,2,0,0,0,0|1,1,0]=4 8694 B12R1.37 CCOCCOCn1cccn1 34a_100000731028_100000210147 [0,2,0,0,0,0|2,0,0]=4 8695 B12R1.37 CCOCCSCc1c[nH]cn1 62a_100000210147_100000707719 [0,2,0,0,0,0|2,0,0]=4 8696 B12R1.37 CCOCCSCc1c[nH]cn1 62a_100000707719_100011215890 [0,2,0,0,0,0|2,0,0]=4 8697 B12R1.37 CCOCCSCc1ccn[nH]1 62a_100000210147_100000728653 [0,2,0,0,0,0|2,0,0]=4 8698 B12R1.37 CCOCCSCc1ccn[nH]1 62a_100000728653_100011215890 [0,2,0,0,0,0|2,0,0]=4 8699 B12R1.37 CCOCCSCc1ccon1 62a_100000210147_100000234950 [0,2,0,0,0,0|2,0,0]=4 8700 B12R1.37 CCOCCSCc1ccon1 62a_100000234950_100011215890 [0,2,0,0,0,0|2,0,0]=4 8701 B12R1.37 CCOCCSCc1ccsc1 62a_100000210147_100011233845 [0,2,0,0,0,0|2,0,0]=4 8702 B12R1.37 CCOCCSCc1ccsc1 62a_100011261437_100011215890 [0,2,0,0,0,0|2,0,0]=4 8703 B12R1.37 CCOCCSCc1cncs1 62a_100000210147_100015185245 [0,2,0,0,0,0|1,1,0]=4 8704 B12R1.37 CCOCCSCc1cncs1 62a_100015185245_100011215890 [0,2,0,0,0,0|1,1,0]=4 8705 B12R1.37 CCOCCSCc1cscn1 62a_100000205941_100011215890 [0,2,0,0,0,0|2,0,0]=4 8706 B12R1.37 CCOCCSCc1cscn1 62a_100000210147_100000205941 [0,2,0,0,0,0|2,0,0]=4 8707 B12R1.37 CCOCCSCc1ncc[nH]1 62a_100000210147_100016991755 [0,2,0,0,0,0|2,0,0]=4 8708 B12R1.37 CCOCCSCc1ncc[nH]1 62a_100016991755_100011215890 [0,2,0,0,0,0|2,0,0]=4 8709 B12R1.37 CCOCCSCc1ncco1 62a_100000210147_103436540062 [0,2,0,0,0,0|1,0,0]=3 8710 B12R1.37 CCOCCSCc1ncco1 62a_103436540062_100011215890 [0,2,0,0,0,0|1,0,0]=3 8711 B12R1.37 CCOCCSCc1nccs1 62a_100000210147_100015184050 [0,2,0,0,0,0|1,1,0]=4 8712 B12R1.37 CCOCCSCc1nccs1 62a_100015184050_100011215890 [0,2,0,0,0,0|1,1,0]=4 8713 B12R1.37 CCOCSCCc1c[nH]cn1 62a_100000739092_100020628418 [0,2,0,0,0,0|2,0,0]=4 8714 B12R1.37 CCOCSCCc1c[nH]cn1 62a_100020628418_100000739092 [0,2,0,0,0,0|2,0,0]=4 8715 B12R1.37 CCOCSCCc1cccs1 62a_100000739092_100000748579 [0,2,0,0,0,0|0,1,0]=3 8716 B12R1.37 CCOCSCCc1cccs1 62a_100000748579_100000739092 [0,2,0,0,0,0|0,1,0]=3 8717 B12R1.37 CCOCSCCn1cccc1 62a_100000739092_200000035178 [0,2,0,0,0,0|2,0,0]=4 8718 B12R1.37 CCOCSCCn1cccc1 62a_200009811947_100000739092 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.37 CCOCSCCn1cccn1 62a_100000739092_100000685285 [0,2,0,0,0,0|2,0,0]=4 8720 B12R1.37 CCOCSCCn1cccn1 62a_100015204718_100000739092 [0,2,0,0,0,0|2,0,0]=4 8721 B12R1.37 CCSCCNCc1c[nH]cn1 2230a_100000106463_100000707719 [0,2,0,0,0,0|2,0,0]=4 8722 B12R1.37 CCSCCNCc1cc[nH]n1 207a_100000106463_100000738523 [0,2,0,0,0,0|2,0,0]=4 8723 B12R1.37 CCSCCNCc1cc[nH]n1 270004a_100000106463_100000738523 [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.37 CCSCCNCc1ccco1 207a_100000106463_100000186105 [0,2,0,0,0,0|0,0,0]=2 8725 B12R1.37 CCSCCNCc1ccco1 2230a_100000185738_100000757381 [0,2,0,0,0,0|0,0,0]=2 8726 B12R1.37 CCSCCNCc1ccco1 270004a_100000106463_100000186105 [0,2,0,0,0,0|0,0,0]=2 8727 B12R1.37 CCSCCNCc1ccco1 34a_100000185738_100000757381 [0,2,0,0,0,0|0,0,0]=2 8728 B12R1.37 CCSCCNCc1cccs1 207a_100000106463_100000209959 [0,2,0,0,0,0|0,1,0]=3 8729 B12R1.37 CCSCCNCc1cccs1 2230a_100000211653_100000757381 [0,2,0,0,0,0|0,1,0]=3 8730 B12R1.37 CCSCCNCc1cccs1 270004a_100000106463_100000209959 [0,2,0,0,0,0|0,1,0]=3 8731 B12R1.37 CCSCCNCc1ccn[nH]1 2230a_100000106463_100000728653 [0,2,0,0,0,0|2,0,0]=4 8732 B12R1.37 CCSCCNCc1ccoc1 207a_100000106463_100011215517 [0,2,0,0,0,0|2,0,0]=4 8733 B12R1.37 CCSCCNCc1ccoc1 2230a_100015206860_100000757381 [0,2,0,0,0,0|2,0,0]=4 8734 B12R1.37 CCSCCNCc1ccoc1 270004a_100000106463_100011215517 [0,2,0,0,0,0|2,0,0]=4 8735 B12R1.37 CCSCCNCc1ccoc1 34a_100015206860_100000757381 [0,2,0,0,0,0|2,0,0]=4 8736 B12R1.37 CCSCCNCc1ccon1 2230a_100000106463_100000234950 [0,2,0,0,0,0|2,0,0]=4 8737 B12R1.37 CCSCCNCc1ccsc1 207a_100000106463_100000188534 [0,2,0,0,0,0|2,0,0]=4 8738 B12R1.37 CCSCCNCc1ccsc1 2230a_100000106463_100011261437 [0,2,0,0,0,0|2,0,0]=4 8739 B12R1.37 CCSCCNCc1ccsc1 2230a_100000186416_100000757381 [0,2,0,0,0,0|2,0,0]=4 8740 B12R1.37 CCSCCNCc1ccsc1 270004a_100000106463_100000188534 [0,2,0,0,0,0|2,0,0]=4 8741 B12R1.37 CCSCCNCc1ccsc1 34a_100000186416_100000757381 [0,2,0,0,0,0|2,0,0]=4 8742 B12R1.37 CCSCCNCc1cnc[nH]1 207a_100000106463_100000742939 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.37 CCSCCNCc1cnco1 270004a_100000106463_100000064291 [0,2,0,0,0,0|1,0,0]=3 8744 B12R1.37 CCSCCNCc1cncs1 207a_100000106463_100000749870 [0,2,0,0,0,0|1,1,0]=4 8745 B12R1.37 CCSCCNCc1cncs1 2230a_100000106463_100015185245 [0,2,0,0,0,0|1,1,0]=4 8746 B12R1.37 CCSCCNCc1cncs1 2230a_100016987365_100000757381 [0,2,0,0,0,0|1,1,0]=4 8747 B12R1.37 CCSCCNCc1cncs1 270004a_100000106463_100000749870 [0,2,0,0,0,0|1,1,0]=4 8748 B12R1.37 CCSCCNCc1cocn1 270004a_100000106463_100000050382 [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.37 CCSCCNCc1cscn1 207a_100000106463_100000743575 [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.37 CCSCCNCc1cscn1 2230a_100000106463_100000205941 [0,2,0,0,0,0|2,0,0]=4 8751 B12R1.37 CCSCCNCc1cscn1 2230a_100015185402_100000757381 [0,2,0,0,0,0|2,0,0]=4 8752 B12R1.37 CCSCCNCc1cscn1 270004a_100000106463_100000743575 [0,2,0,0,0,0|2,0,0]=4 8753 B12R1.37 CCSCCNCc1ncc[nH]1 207a_100000106463_100000743867 [0,2,0,0,0,0|2,0,0]=4 8754 B12R1.37 CCSCCNCc1ncc[nH]1 2230a_100000106463_100016991755 [0,2,0,0,0,0|2,0,0]=4 8755 B12R1.37 CCSCCNCc1ncco1 2230a_100000106463_103436540062 [0,2,0,0,0,0|1,0,0]=3 8756 B12R1.37 CCSCCNCc1ncco1 2230a_100016994969_100000757381 [0,2,0,0,0,0|1,0,0]=3 8757 B12R1.37 CCSCCNCc1ncco1 270004a_100000106463_100000064290 [0,2,0,0,0,0|1,0,0]=3 8758 B12R1.37 CCSCCNCc1nccs1 207a_100000106463_100000750902 [0,2,0,0,0,0|1,1,0]=4 8759 B12R1.37 CCSCCNCc1nccs1 2230a_100000106463_100015184050 [0,2,0,0,0,0|1,1,0]=4 8760 B12R1.37 CCSCCNCc1nccs1 2230a_100000740555_100000757381 [0,2,0,0,0,0|1,1,0]=4 8761 B12R1.37 CCSCCNCc1nccs1 270004a_100000106463_100000750902 [0,2,0,0,0,0|1,1,0]=4 8762 B12R1.37 CCSCCOCc1c[nH]cn1 34a_100000212035_100000707719 [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.37 CCSCCOCc1ccco1 34a_100000210059_100000757381 [0,2,0,0,0,0|0,0,0]=2 8764 B12R1.37 CCSCCOCc1cccs1 34a_100000211240_100000757381 [0,2,0,0,0,0|0,1,0]=3 8765 B12R1.37 CCSCCOCc1ccn[nH]1 34a_100000212035_100000728653 [0,2,0,0,0,0|2,0,0]=4 8766 B12R1.37 CCSCCOCc1ccn[nH]1 7a_100000212035_100000728653 [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.37 CCSCCOCc1ccno1 34a_100000740478_100000757381 [0,2,0,0,0,0|1,0,0]=3 8768 B12R1.37 CCSCCOCc1ccoc1 34a_100011215357_100000757381 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.37 CCSCCOCc1ccon1 34a_100000212035_100000234950 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.37 CCSCCOCc1ccon1 7a_100000212035_100000234950 [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.37 CCSCCOCc1ccsc1 34a_100000212035_100011261437 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.37 CCSCCOCc1ccsc1 34a_100011215551_100000757381 [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.37 CCSCCOCc1ccsc1 7a_100000212035_100011261437 [0,2,0,0,0,0|2,0,0]=4 8774 B12R1.37 CCSCCOCc1cncs1 34a_100000212035_100015185245 [0,2,0,0,0,0|1,1,0]=4 8775 B12R1.37 CCSCCOCc1cncs1 7a_100000212035_100015185245 [0,2,0,0,0,0|1,1,0]=4 8776 B12R1.37 CCSCCOCc1cscn1 34a_100000212035_100000205941 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.37 CCSCCOCc1cscn1 7a_100000212035_100000205941 [0,2,0,0,0,0|2,0,0]=4 8778 B12R1.37 CCSCCOCc1ncc[nH]1 34a_100000212035_100016991755 [0,2,0,0,0,0|2,0,0]=4 8779 B12R1.37 CCSCCOCc1ncc[nH]1 7a_100000212035_100000753453 [0,2,0,0,0,0|2,0,0]=4 8780 B12R1.37 CCSCCOCc1ncco1 34a_100000062594_100000757381 [0,2,0,0,0,0|1,0,0]=3 8781 B12R1.37 CCSCCOCc1ncco1 34a_100000212035_103436540062 [0,2,0,0,0,0|1,0,0]=3 8782 B12R1.37 CCSCCOCc1ncco1 7a_100000212035_103436540062 [0,2,0,0,0,0|1,0,0]=3 8783 B12R1.37 CCSCCOCc1nccs1 34a_100000212035_100015184050 [0,2,0,0,0,0|1,1,0]=4 8784 B12R1.37 CCSCCOCc1nccs1 7a_100000212035_100015184050 [0,2,0,0,0,0|1,1,0]=4 8785 B12R1.37 CCSCCOCn1cccn1 34a_100000731028_100000757381 [0,2,0,0,0,0|2,0,0]=4 8786 B12R1.37 CCSCCSCc1c[nH]cn1 62a_100000707719_100000757381 [0,2,0,0,0,0|2,0,0]=4 8787 B12R1.37 CCSCCSCc1c[nH]cn1 62a_100000757381_100000707719 [0,2,0,0,0,0|2,0,0]=4 8788 B12R1.37 CCSCCSCc1ccn[nH]1 62a_100000728653_100000757381 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.37 CCSCCSCc1ccn[nH]1 62a_100000757381_100000728653 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.37 CCSCCSCc1ccon1 62a_100000234950_100000757381 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.37 CCSCCSCc1ccon1 62a_100000757381_100000234950 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.37 CCSCCSCc1ccsc1 62a_100000757381_100011233845 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.37 CCSCCSCc1ccsc1 62a_100011261437_100000757381 [0,2,0,0,0,0|2,0,0]=4 8794 B12R1.37 CCSCCSCc1cncs1 62a_100000757381_100015185245 [0,2,0,0,0,0|1,1,0]=4 8795 B12R1.37 CCSCCSCc1cncs1 62a_100015185245_100000757381 [0,2,0,0,0,0|1,1,0]=4 8796 B12R1.37 CCSCCSCc1cscn1 62a_100000205941_100000757381 [0,2,0,0,0,0|2,0,0]=4 8797 B12R1.37 CCSCCSCc1cscn1 62a_100000757381_100000205941 [0,2,0,0,0,0|2,0,0]=4 8798 B12R1.37 CCSCCSCc1ncc[nH]1 62a_100000757381_100016991755 [0,2,0,0,0,0|2,0,0]=4 8799 B12R1.37 CCSCCSCc1ncc[nH]1 62a_100016991755_100000757381 [0,2,0,0,0,0|2,0,0]=4 8800 B12R1.37 CCSCCSCc1ncco1 62a_100000757381_103436540062 [0,2,0,0,0,0|1,0,0]=3 8801 B12R1.37 CCSCCSCc1ncco1 62a_103436540062_100000757381 [0,2,0,0,0,0|1,0,0]=3 8802 B12R1.37 CCSCCSCc1nccs1 62a_100000757381_100015184050 [0,2,0,0,0,0|1,1,0]=4 8803 B12R1.37 CCSCCSCc1nccs1 62a_100015184050_100000757381 [0,2,0,0,0,0|1,1,0]=4 8804 B12R1.37 CNCCCOCc1c[nH]cn1 34a_100000213112_100000707719 [0,2,0,0,0,0|2,0,0]=4 8805 B12R1.37 CNCCCOCc1ccn[nH]1 34a_100000213112_100000728653 [0,2,0,0,0,0|2,0,0]=4 8806 B12R1.37 CNCCCOCc1ccon1 34a_100000213112_100000234950 [0,2,0,0,0,0|2,0,0]=4 8807 B12R1.37 CNCCCOCc1ccsc1 34a_100000213112_100011261437 [0,2,0,0,0,0|2,0,0]=4 8808 B12R1.37 CNCCCOCc1cncs1 34a_100000213112_100015185245 [0,2,0,0,0,0|1,1,0]=4 8809 B12R1.37 CNCCCOCc1cscn1 34a_100000213112_100000205941 [0,2,0,0,0,0|2,0,0]=4 8810 B12R1.37 CNCCCOCc1ncc[nH]1 34a_100000213112_100016991755 [0,2,0,0,0,0|2,0,0]=4 8811 B12R1.37 CNCCCOCc1ncco1 34a_100000213112_103436540062 [0,2,0,0,0,0|1,0,0]=3 8812 B12R1.37 CNCCCOCc1nccs1 34a_100000213112_100015184050 [0,2,0,0,0,0|1,1,0]=4 8813 B12R1.37 COCCCCOc1ccsc1 34a_100000106738_100000755781 [0,2,0,0,0,0|2,0,0]=4 8814 B12R1.37 COCCCCOc1ccsc1 7a_100000106738_100000730899 [0,2,0,0,0,0|2,0,0]=4 8815 B12R1.37 COCCCCSc1c[nH]cn1 62a_100000730899_100000756875 [0,2,0,0,0,0|2,0,0]=4 8816 B12R1.37 COCCCCSc1c[nH]cn1 62a_100000756875_100000730899 [0,2,0,0,0,0|2,0,0]=4 8817 B12R1.37 COCCCCSc1cc[nH]n1 62a_100000062575_100000730899 [0,2,0,0,0,0|2,0,0]=4 8818 B12R1.37 COCCCCSc1cc[nH]n1 62a_100000730899_100000062575 [0,2,0,0,0,0|2,0,0]=4 8819 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [0,2,0,0,0,0|0,0,0]=2 8820 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [0,2,0,0,0,0|0,0,0]=2 8821 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [0,2,0,0,0,0|0,1,0]=3 8822 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [0,2,0,0,0,0|0,1,0]=3 8823 B12R1.37 COCCCCSc1ccoc1 62a_100000730899_100011215275 [0,2,0,0,0,0|2,0,0]=4 8824 B12R1.37 COCCCCSc1ccoc1 62a_100011215275_100000730899 [0,2,0,0,0,0|2,0,0]=4 8825 B12R1.37 COCCCCSc1ccon1 62a_100000730899_100009818083 [0,2,0,0,0,0|2,0,0]=4 8826 B12R1.37 COCCCCSc1ccon1 62a_100009818083_100000730899 [0,2,0,0,0,0|2,0,0]=4 8827 B12R1.37 COCCCCSc1ccsc1 62a_100000730899_100000738268 [0,2,0,0,0,0|2,0,0]=4 8828 B12R1.37 COCCCCSc1ccsc1 62a_100000738268_100000730899 [0,2,0,0,0,0|2,0,0]=4 8829 B12R1.37 COCCCCSc1ccsn1 62a_100000730899_100009818082 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.37 COCCCCSc1ccsn1 62a_100009818082_100000730899 [0,2,0,0,0,0|2,0,0]=4 8831 B12R1.37 COCCCCSc1cnco1 62a_100000730899_100020591547 [0,2,0,0,0,0|1,0,0]=3 8832 B12R1.37 COCCCCSc1cnco1 62a_100020591547_100000730899 [0,2,0,0,0,0|1,0,0]=3 8833 B12R1.37 COCCCCSc1cncs1 62a_100000730899_100011934649 [0,2,0,0,0,0|1,1,0]=4 8834 B12R1.37 COCCCCSc1cncs1 62a_100011934649_100000730899 [0,2,0,0,0,0|1,1,0]=4 8835 B12R1.37 COCCCCSc1cscn1 62a_100000730899_100000751502 [0,2,0,0,0,0|2,0,0]=4 8836 B12R1.37 COCCCCSc1cscn1 62a_100000751502_100000730899 [0,2,0,0,0,0|2,0,0]=4 8837 B12R1.37 COCCCCSc1ncc[nH]1 62a_100000730899_100025796157 [0,2,0,0,0,0|2,0,0]=4 8838 B12R1.37 COCCCCSc1ncc[nH]1 62a_100025796157_100000730899 [0,2,0,0,0,0|2,0,0]=4 8839 B12R1.37 COCCCCSc1ncco1 62a_100000730899_100011787736 [0,2,0,0,0,0|1,0,0]=3 8840 B12R1.37 COCCCCSc1ncco1 62a_100011787736_100000730899 [0,2,0,0,0,0|1,0,0]=3 8841 B12R1.37 COCCCCSc1nccs1 62a_100000211983_100000730899 [0,2,0,0,0,0|1,1,0]=4 8842 B12R1.37 COCCCCSc1nccs1 62a_100000730899_100000211983 [0,2,0,0,0,0|1,1,0]=4 8843 B12R1.37 COCCCNCc1c[nH]cn1 34a_100150723488_100000707719 [0,2,0,0,0,0|2,0,0]=4 8844 B12R1.37 COCCCNCc1cc[nH]n1 207a_100150723488_100000738523 [0,2,0,0,0,0|2,0,0]=4 8845 B12R1.37 COCCCNCc1cc[nH]n1 270004a_100150723488_100000738523 [0,2,0,0,0,0|2,0,0]=4 8846 B12R1.37 COCCCNCc1ccco1 207a_100150723488_100000186105 [0,2,0,0,0,0|0,0,0]=2 8847 B12R1.37 COCCCNCc1ccco1 2230a_100000185738_100000740836 [0,2,0,0,0,0|0,0,0]=2 8848 B12R1.37 COCCCNCc1ccco1 270004a_100150723488_100000186105 [0,2,0,0,0,0|0,0,0]=2 8849 B12R1.37 COCCCNCc1ccco1 34a_100000185738_100000740836 [0,2,0,0,0,0|0,0,0]=2 8850 B12R1.37 COCCCNCc1cccs1 207a_100150723488_100000209959 [0,2,0,0,0,0|0,1,0]=3 8851 B12R1.37 COCCCNCc1cccs1 2230a_100000211653_100000740836 [0,2,0,0,0,0|0,1,0]=3 8852 B12R1.37 COCCCNCc1cccs1 270004a_100150723488_100000209959 [0,2,0,0,0,0|0,1,0]=3 8853 B12R1.37 COCCCNCc1cccs1 34a_100015187169_200000210301 [0,2,0,0,0,0|0,1,0]=3 8854 B12R1.37 COCCCNCc1ccn[nH]1 34a_100150723488_100000728653 [0,2,0,0,0,0|2,0,0]=4 8855 B12R1.37 COCCCNCc1ccoc1 207a_100150723488_100011215517 [0,2,0,0,0,0|2,0,0]=4 8856 B12R1.37 COCCCNCc1ccoc1 2230a_100015206860_100000740836 [0,2,0,0,0,0|2,0,0]=4 8857 B12R1.37 COCCCNCc1ccoc1 270004a_100150723488_100011215517 [0,2,0,0,0,0|2,0,0]=4 8858 B12R1.37 COCCCNCc1ccoc1 34a_100015206860_100000740836 [0,2,0,0,0,0|2,0,0]=4 8859 B12R1.37 COCCCNCc1ccon1 34a_100150723488_100000234950 [0,2,0,0,0,0|2,0,0]=4 8860 B12R1.37 COCCCNCc1ccsc1 207a_100150723488_100000188534 [0,2,0,0,0,0|2,0,0]=4 8861 B12R1.37 COCCCNCc1ccsc1 2230a_100000186416_100000740836 [0,2,0,0,0,0|2,0,0]=4 8862 B12R1.37 COCCCNCc1ccsc1 270004a_100150723488_100000188534 [0,2,0,0,0,0|2,0,0]=4 8863 B12R1.37 COCCCNCc1ccsc1 34a_100000186416_100000740836 [0,2,0,0,0,0|2,0,0]=4 8864 B12R1.37 COCCCNCc1ccsc1 34a_100150723488_100011261437 [0,2,0,0,0,0|2,0,0]=4 8865 B12R1.37 COCCCNCc1cnc[nH]1 207a_100150723488_100000742939 [0,2,0,0,0,0|2,0,0]=4 8866 B12R1.37 COCCCNCc1cnco1 270004a_100150723488_100000064291 [0,2,0,0,0,0|1,0,0]=3 8867 B12R1.37 COCCCNCc1cncs1 207a_100150723488_100000749870 [0,2,0,0,0,0|1,1,0]=4 8868 B12R1.37 COCCCNCc1cncs1 2230a_100016987365_100000740836 [0,2,0,0,0,0|1,1,0]=4 8869 B12R1.37 COCCCNCc1cncs1 270004a_100150723488_100000749870 [0,2,0,0,0,0|1,1,0]=4 8870 B12R1.37 COCCCNCc1cncs1 34a_100150723488_100015185245 [0,2,0,0,0,0|1,1,0]=4 8871 B12R1.37 COCCCNCc1cocn1 270004a_100150723488_100000050382 [0,2,0,0,0,0|2,0,0]=4 8872 B12R1.37 COCCCNCc1cscn1 207a_100150723488_100000743575 [0,2,0,0,0,0|2,0,0]=4 8873 B12R1.37 COCCCNCc1cscn1 2230a_100015185402_100000740836 [0,2,0,0,0,0|2,0,0]=4 8874 B12R1.37 COCCCNCc1cscn1 270004a_100150723488_100000743575 [0,2,0,0,0,0|2,0,0]=4 8875 B12R1.37 COCCCNCc1cscn1 34a_100150723488_100000205941 [0,2,0,0,0,0|2,0,0]=4 8876 B12R1.37 COCCCNCc1ncc[nH]1 207a_100150723488_100000743867 [0,2,0,0,0,0|2,0,0]=4 8877 B12R1.37 COCCCNCc1ncc[nH]1 34a_100150723488_100016991755 [0,2,0,0,0,0|2,0,0]=4 8878 B12R1.37 COCCCNCc1ncco1 2230a_100016994969_100000740836 [0,2,0,0,0,0|1,0,0]=3 8879 B12R1.37 COCCCNCc1ncco1 270004a_100150723488_100000064290 [0,2,0,0,0,0|1,0,0]=3 8880 B12R1.37 COCCCNCc1ncco1 34a_100150723488_103436540062 [0,2,0,0,0,0|1,0,0]=3 8881 B12R1.37 COCCCNCc1nccs1 207a_100150723488_100000750902 [0,2,0,0,0,0|1,1,0]=4 8882 B12R1.37 COCCCNCc1nccs1 2230a_100000740555_100000740836 [0,2,0,0,0,0|1,1,0]=4 8883 B12R1.37 COCCCNCc1nccs1 270004a_100150723488_100000750902 [0,2,0,0,0,0|1,1,0]=4 8884 B12R1.37 COCCCNCc1nccs1 34a_100150723488_100015184050 [0,2,0,0,0,0|1,1,0]=4 8885 B12R1.37 COCCCOCc1c[nH]cn1 34a_100000740835_100000707719 [0,2,0,0,0,0|2,0,0]=4 8886 B12R1.37 COCCCOCc1ccco1 34a_100000210059_100000740836 [0,2,0,0,0,0|0,0,0]=2 8887 B12R1.37 COCCCOCc1cccs1 34a_100000211240_100000740836 [0,2,0,0,0,0|0,1,0]=3 8888 B12R1.37 COCCCOCc1ccn[nH]1 34a_100000740835_100000728653 [0,2,0,0,0,0|2,0,0]=4 8889 B12R1.37 COCCCOCc1ccno1 34a_100000740478_100000740836 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.37 COCCCOCc1ccoc1 34a_100011215357_100000740836 [0,2,0,0,0,0|2,0,0]=4 8891 B12R1.37 COCCCOCc1ccon1 34a_100000740835_100000234950 [0,2,0,0,0,0|2,0,0]=4 8892 B12R1.37 COCCCOCc1ccsc1 34a_100000740835_100011261437 [0,2,0,0,0,0|2,0,0]=4 8893 B12R1.37 COCCCOCc1ccsc1 34a_100011215551_100000740836 [0,2,0,0,0,0|2,0,0]=4 8894 B12R1.37 COCCCOCc1cncs1 34a_100000740835_100015185245 [0,2,0,0,0,0|1,1,0]=4 8895 B12R1.37 COCCCOCc1cscn1 34a_100000740835_100000205941 [0,2,0,0,0,0|2,0,0]=4 8896 B12R1.37 COCCCOCc1ncc[nH]1 34a_100000740835_100016991755 [0,2,0,0,0,0|2,0,0]=4 8897 B12R1.37 COCCCOCc1ncco1 34a_100000062594_100000740836 [0,2,0,0,0,0|1,0,0]=3 8898 B12R1.37 COCCCOCc1ncco1 34a_100000740835_103436540062 [0,2,0,0,0,0|1,0,0]=3 8899 B12R1.37 COCCCOCc1nccs1 34a_100000740835_100015184050 [0,2,0,0,0,0|1,1,0]=4 8900 B12R1.37 COCCCOCn1cccn1 34a_100000731028_100000740836 [0,2,0,0,0,0|2,0,0]=4 8901 B12R1.37 COCCCSCc1c[nH]cn1 62a_100000707719_100000709357 [0,2,0,0,0,0|2,0,0]=4 8902 B12R1.37 COCCCSCc1c[nH]cn1 62a_100000709357_100000707719 [0,2,0,0,0,0|2,0,0]=4 8903 B12R1.37 COCCCSCc1ccn[nH]1 62a_100000709357_100000728653 [0,2,0,0,0,0|2,0,0]=4 8904 B12R1.37 COCCCSCc1ccn[nH]1 62a_100000728653_100000709357 [0,2,0,0,0,0|2,0,0]=4 8905 B12R1.37 COCCCSCc1ccon1 62a_100000234950_100000709357 [0,2,0,0,0,0|2,0,0]=4 8906 B12R1.37 COCCCSCc1ccon1 62a_100000709357_100000234950 [0,2,0,0,0,0|2,0,0]=4 8907 B12R1.37 COCCCSCc1ccsc1 62a_100000709357_100011233845 [0,2,0,0,0,0|2,0,0]=4 8908 B12R1.37 COCCCSCc1ccsc1 62a_100011261437_100000709357 [0,2,0,0,0,0|2,0,0]=4 8909 B12R1.37 COCCCSCc1cncs1 62a_100000709357_100015185245 [0,2,0,0,0,0|1,1,0]=4 8910 B12R1.37 COCCCSCc1cncs1 62a_100015185245_100000709357 [0,2,0,0,0,0|1,1,0]=4 8911 B12R1.37 COCCCSCc1cscn1 62a_100000205941_100000709357 [0,2,0,0,0,0|2,0,0]=4 8912 B12R1.37 COCCCSCc1cscn1 62a_100000709357_100000205941 [0,2,0,0,0,0|2,0,0]=4 8913 B12R1.37 COCCCSCc1ncc[nH]1 62a_100000709357_100016991755 [0,2,0,0,0,0|2,0,0]=4 8914 B12R1.37 COCCCSCc1ncc[nH]1 62a_100016991755_100000709357 [0,2,0,0,0,0|2,0,0]=4 8915 B12R1.37 COCCCSCc1ncco1 62a_100000709357_103436540062 [0,2,0,0,0,0|1,0,0]=3 8916 B12R1.37 COCCCSCc1ncco1 62a_103436540062_100000709357 [0,2,0,0,0,0|1,0,0]=3 8917 B12R1.37 COCCCSCc1nccs1 62a_100000709357_100015184050 [0,2,0,0,0,0|1,1,0]=4 8918 B12R1.37 COCCCSCc1nccs1 62a_100015184050_100000709357 [0,2,0,0,0,0|1,1,0]=4 8919 B12R1.37 COCCNCCc1c[nH]cn1 2230a_100000209980_100020628418 [0,2,0,0,0,0|2,0,0]=4 8920 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [0,2,0,0,0,0|0,0,0]=2 8921 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [0,2,0,0,0,0|0,0,0]=2 8922 B12R1.37 COCCNCCc1cccs1 2230a_100000203755_100011201679 [0,2,0,0,0,0|0,1,0]=3 8923 B12R1.37 COCCNCCc1cccs1 2230a_100000209980_100000748579 [0,2,0,0,0,0|0,1,0]=3 8924 B12R1.37 COCCNCCc1cccs1 34a_100000203755_100011201679 [0,2,0,0,0,0|0,1,0]=3 8925 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [0,2,0,0,0,0|2,0,0]=4 8926 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [0,2,0,0,0,0|2,0,0]=4 8927 B12R1.37 COCCNCCc1cncs1 2230a_100016991637_100011201679 [0,2,0,0,0,0|1,1,0]=4 8928 B12R1.37 COCCNCCc1nccs1 2230a_100015186391_100011201679 [0,2,0,0,0,0|1,1,0]=4 8929 B12R1.37 COCCNCCn1cccc1 2230a_100000209980_200009811947 [0,2,0,0,0,0|2,0,0]=4 8930 B12R1.37 COCCNCCn1cccc1 34a_100011368172_100011201679 [0,2,0,0,0,0|2,0,0]=4 8931 B12R1.37 COCCNCCn1cccn1 2230a_100000209980_100000685285 [0,2,0,0,0,0|2,0,0]=4 8932 B12R1.37 COCCNCCn1cccn1 2230a_100011200920_100011201679 [0,2,0,0,0,0|2,0,0]=4 8933 B12R1.37 COCCOCCc1cccs1 34a_100000210237_100000748579 [0,2,0,0,0,0|0,1,0]=3 8934 B12R1.37 COCCOCCc1cccs1 34a_100011216825_100011201679 [0,2,0,0,0,0|0,1,0]=3 8935 B12R1.37 COCCOCCc1cccs1 7a_100011216825_100000233755 [0,2,0,0,0,0|0,1,0]=3 8936 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,2,0,0,0,0|2,0,0]=4 8937 B12R1.37 COCCOCCc1ncc[nH]1 34a_103549771195_100011201679 [0,2,0,0,0,0|2,0,0]=4 8938 B12R1.37 COCCOCCn1cccc1 34a_100000179382_100011201679 [0,2,0,0,0,0|2,0,0]=4 8939 B12R1.37 COCCOCCn1cccn1 34a_100000210237_100015204718 [0,2,0,0,0,0|2,0,0]=4 8940 B12R1.37 COCCOCCn1cccn1 34a_100000743371_100011201679 [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.37 COCCOCSc1ccco1 62a_100000231047_100009814098 [0,2,0,0,0,0|1,0,0]=3 8942 B12R1.37 COCCOCSc1ccco1 62a_100009814098_100000231047 [0,2,0,0,0,0|1,0,0]=3 8943 B12R1.37 COCCOCSc1cccs1 62a_100000231047_100011215356 [0,2,0,0,0,0|1,1,0]=4 8944 B12R1.37 COCCOCSc1cccs1 62a_100011215356_100000231047 [0,2,0,0,0,0|1,1,0]=4 8945 B12R1.37 COCCOCSc1cnco1 62a_100000231047_100020591547 [0,2,0,0,0,0|2,0,0]=4 8946 B12R1.37 COCCOCSc1cnco1 62a_100020591547_100000231047 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.37 COCCOCSc1ncco1 62a_100000231047_100011787736 [0,2,0,0,0,0|2,0,0]=4 8948 B12R1.37 COCCOCSc1ncco1 62a_100011787736_100000231047 [0,2,0,0,0,0|2,0,0]=4 8949 B12R1.37 COCCSCCc1c[nH]cn1 62a_100000233755_100020628418 [0,2,0,0,0,0|2,0,0]=4 8950 B12R1.37 COCCSCCc1c[nH]cn1 62a_100020628418_100000233755 [0,2,0,0,0,0|2,0,0]=4 8951 B12R1.37 COCCSCCc1cccs1 62a_100000233755_100000748579 [0,2,0,0,0,0|0,1,0]=3 8952 B12R1.37 COCCSCCc1cccs1 62a_100000748579_100000233755 [0,2,0,0,0,0|0,1,0]=3 8953 B12R1.37 COCCSCCn1cccc1 62a_100000233755_200000035178 [0,2,0,0,0,0|2,0,0]=4 8954 B12R1.37 COCCSCCn1cccc1 62a_200009811947_100000233755 [0,2,0,0,0,0|2,0,0]=4 8955 B12R1.37 COCCSCCn1cccn1 62a_100000233755_100000685285 [0,2,0,0,0,0|2,0,0]=4 8956 B12R1.37 COCCSCCn1cccn1 62a_100015204718_100000233755 [0,2,0,0,0,0|2,0,0]=4 8957 B12R1.37 COCSCCCc1cccs1 62a_100000766300_100010992444 [0,2,0,0,0,0|0,1,0]=3 8958 B12R1.37 COCSCCCc1cccs1 62a_100010992444_100000766300 [0,2,0,0,0,0|0,1,0]=3 8959 B12R1.37 COCSCCCn1cccc1 62a_100000766300_200009814367 [0,2,0,0,0,0|2,0,0]=4 8960 B12R1.37 COCSCCCn1cccc1 62a_200009814367_100000766300 [0,2,0,0,0,0|2,0,0]=4 8961 B12R1.37 COCSCCCn1cccn1 62a_100000739983_100000766300 [0,2,0,0,0,0|2,0,0]=4 8962 B12R1.37 COCSCCCn1cccn1 62a_100000766300_100000739983 [0,2,0,0,0,0|2,0,0]=4 8963 B12R1.37 CSCCCNCc1c[nH]cn1 2230a_100000749238_100000707719 [0,2,0,0,0,0|2,0,0]=4 8964 B12R1.37 CSCCCNCc1cc[nH]n1 207a_100000749238_100000738523 [0,2,0,0,0,0|2,0,0]=4 8965 B12R1.37 CSCCCNCc1cc[nH]n1 270004a_100000749238_100000738523 [0,2,0,0,0,0|2,0,0]=4 8966 B12R1.37 CSCCCNCc1ccco1 207a_100000749238_100000186105 [0,2,0,0,0,0|0,0,0]=2 8967 B12R1.37 CSCCCNCc1ccco1 270004a_100000749238_100000186105 [0,2,0,0,0,0|0,0,0]=2 8968 B12R1.37 CSCCCNCc1cccs1 207a_100000749238_100000209959 [0,2,0,0,0,0|0,1,0]=3 8969 B12R1.37 CSCCCNCc1cccs1 270004a_100000749238_100000209959 [0,2,0,0,0,0|0,1,0]=3 8970 B12R1.37 CSCCCNCc1ccn[nH]1 2230a_100000749238_100000728653 [0,2,0,0,0,0|2,0,0]=4 8971 B12R1.37 CSCCCNCc1ccoc1 207a_100000749238_100011215517 [0,2,0,0,0,0|2,0,0]=4 8972 B12R1.37 CSCCCNCc1ccoc1 270004a_100000749238_100011215517 [0,2,0,0,0,0|2,0,0]=4 8973 B12R1.37 CSCCCNCc1ccon1 2230a_100000749238_100000234950 [0,2,0,0,0,0|2,0,0]=4 8974 B12R1.37 CSCCCNCc1ccsc1 207a_100000749238_100000188534 [0,2,0,0,0,0|2,0,0]=4 8975 B12R1.37 CSCCCNCc1ccsc1 2230a_100000749238_100011261437 [0,2,0,0,0,0|2,0,0]=4 8976 B12R1.37 CSCCCNCc1ccsc1 270004a_100000749238_100000188534 [0,2,0,0,0,0|2,0,0]=4 8977 B12R1.37 CSCCCNCc1cnc[nH]1 207a_100000749238_100000742939 [0,2,0,0,0,0|2,0,0]=4 8978 B12R1.37 CSCCCNCc1cnco1 270004a_100000749238_100000064291 [0,2,0,0,0,0|1,0,0]=3 8979 B12R1.37 CSCCCNCc1cncs1 207a_100000749238_100000749870 [0,2,0,0,0,0|1,1,0]=4 8980 B12R1.37 CSCCCNCc1cncs1 2230a_100000749238_100015185245 [0,2,0,0,0,0|1,1,0]=4 8981 B12R1.37 CSCCCNCc1cncs1 270004a_100000749238_100000749870 [0,2,0,0,0,0|1,1,0]=4 8982 B12R1.37 CSCCCNCc1cocn1 270004a_100000749238_100000050382 [0,2,0,0,0,0|2,0,0]=4 8983 B12R1.37 CSCCCNCc1cscn1 207a_100000749238_100000743575 [0,2,0,0,0,0|2,0,0]=4 8984 B12R1.37 CSCCCNCc1cscn1 2230a_100000749238_100000205941 [0,2,0,0,0,0|2,0,0]=4 8985 B12R1.37 CSCCCNCc1cscn1 270004a_100000749238_100000743575 [0,2,0,0,0,0|2,0,0]=4 8986 B12R1.37 CSCCCNCc1ncc[nH]1 207a_100000749238_100000743867 [0,2,0,0,0,0|2,0,0]=4 8987 B12R1.37 CSCCCNCc1ncc[nH]1 2230a_100000749238_100016991755 [0,2,0,0,0,0|2,0,0]=4 8988 B12R1.37 CSCCCNCc1ncco1 2230a_100000749238_103436540062 [0,2,0,0,0,0|1,0,0]=3 8989 B12R1.37 CSCCCNCc1ncco1 270004a_100000749238_100000064290 [0,2,0,0,0,0|1,0,0]=3 8990 B12R1.37 CSCCCNCc1nccs1 207a_100000749238_100000750902 [0,2,0,0,0,0|1,1,0]=4 8991 B12R1.37 CSCCCNCc1nccs1 2230a_100000749238_100015184050 [0,2,0,0,0,0|1,1,0]=4 8992 B12R1.37 CSCCCNCc1nccs1 270004a_100000749238_100000750902 [0,2,0,0,0,0|1,1,0]=4 8993 B12R1.37 CSCCCOCc1c[nH]cn1 34a_100000690336_100000707719 [0,2,0,0,0,0|2,0,0]=4 8994 B12R1.37 CSCCCOCc1ccn[nH]1 34a_100000690336_100000728653 [0,2,0,0,0,0|2,0,0]=4 8995 B12R1.37 CSCCCOCc1ccn[nH]1 7a_100000690336_100000728653 [0,2,0,0,0,0|2,0,0]=4 8996 B12R1.37 CSCCCOCc1ccon1 34a_100000690336_100000234950 [0,2,0,0,0,0|2,0,0]=4 8997 B12R1.37 CSCCCOCc1ccon1 7a_100000690336_100000234950 [0,2,0,0,0,0|2,0,0]=4 8998 B12R1.37 CSCCCOCc1ccsc1 34a_100000690336_100011261437 [0,2,0,0,0,0|2,0,0]=4 8999 B12R1.37 CSCCCOCc1ccsc1 7a_100000690336_100011261437 [0,2,0,0,0,0|2,0,0]=4 9000 B12R1.37 CSCCCOCc1cncs1 34a_100000690336_100015185245 [0,2,0,0,0,0|1,1,0]=4 9001 B12R1.37 CSCCCOCc1cncs1 7a_100000690336_100015185245 [0,2,0,0,0,0|1,1,0]=4 9002 B12R1.37 CSCCCOCc1cscn1 34a_100000690336_100000205941 [0,2,0,0,0,0|2,0,0]=4 9003 B12R1.37 CSCCCOCc1cscn1 7a_100000690336_100000205941 [0,2,0,0,0,0|2,0,0]=4 9004 B12R1.37 CSCCCOCc1ncc[nH]1 34a_100000690336_100016991755 [0,2,0,0,0,0|2,0,0]=4 9005 B12R1.37 CSCCCOCc1ncc[nH]1 7a_100000690336_100000753453 [0,2,0,0,0,0|2,0,0]=4 9006 B12R1.37 CSCCCOCc1ncco1 34a_100000690336_103436540062 [0,2,0,0,0,0|1,0,0]=3 9007 B12R1.37 CSCCCOCc1ncco1 7a_100000690336_103436540062 [0,2,0,0,0,0|1,0,0]=3 9008 B12R1.37 CSCCCOCc1nccs1 34a_100000690336_100015184050 [0,2,0,0,0,0|1,1,0]=4 9009 B12R1.37 CSCCCOCc1nccs1 7a_100000690336_100015184050 [0,2,0,0,0,0|1,1,0]=4 9010 B12R1.37 CSCCNCCc1c[nH]cn1 2230a_100020590264_100020628418 [0,2,0,0,0,0|2,0,0]=4 9011 B12R1.37 CSCCNCCc1ccco1 2230a_100000694680_100000751147 [0,2,0,0,0,0|0,0,0]=2 9012 B12R1.37 CSCCNCCc1ccco1 34a_100000694680_100000212216 [0,2,0,0,0,0|0,0,0]=2 9013 B12R1.37 CSCCNCCc1cccs1 2230a_100000203755_100000751147 [0,2,0,0,0,0|0,1,0]=3 9014 B12R1.37 CSCCNCCc1cccs1 2230a_100020590264_100000748579 [0,2,0,0,0,0|0,1,0]=3 9015 B12R1.37 CSCCNCCc1cccs1 34a_100000203755_100000212216 [0,2,0,0,0,0|0,1,0]=3 9016 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [0,2,0,0,0,0|2,0,0]=4 9018 B12R1.37 CSCCNCCc1cncs1 2230a_100016991637_100000751147 [0,2,0,0,0,0|1,1,0]=4 9019 B12R1.37 CSCCNCCc1nccs1 2230a_100015186391_100000751147 [0,2,0,0,0,0|1,1,0]=4 9020 B12R1.37 CSCCNCCn1cccc1 2230a_100020590264_200009811947 [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.37 CSCCNCCn1cccc1 34a_100011368172_100000212216 [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.37 CSCCNCCn1cccn1 2230a_100011200920_100000751147 [0,2,0,0,0,0|2,0,0]=4 9023 B12R1.37 CSCCNCCn1cccn1 2230a_100020590264_100000685285 [0,2,0,0,0,0|2,0,0]=4 9024 B12R1.37 CSCCOCCc1c[nH]cn1 7a_100000230434_100020628418 [0,2,0,0,0,0|2,0,0]=4 9025 B12R1.37 CSCCOCCc1cccs1 34a_100000230434_100000748579 [0,2,0,0,0,0|0,1,0]=3 9026 B12R1.37 CSCCOCCc1cccs1 34a_100011216825_100000212216 [0,2,0,0,0,0|0,1,0]=3 9027 B12R1.37 CSCCOCCc1cccs1 7a_100000230434_100000748579 [0,2,0,0,0,0|0,1,0]=3 9028 B12R1.37 CSCCOCCc1cccs1 7a_100011216825_100000212216 [0,2,0,0,0,0|0,1,0]=3 9029 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [0,2,0,0,0,0|2,0,0]=4 9030 B12R1.37 CSCCOCCc1ncc[nH]1 34a_103549771195_100000212216 [0,2,0,0,0,0|2,0,0]=4 9031 B12R1.37 CSCCOCCn1cccc1 34a_100000179382_100000212216 [0,2,0,0,0,0|2,0,0]=4 9032 B12R1.37 CSCCOCCn1cccc1 7a_100000230434_200000035178 [0,2,0,0,0,0|2,0,0]=4 9033 B12R1.37 CSCCOCCn1cccn1 34a_100000230434_100015204718 [0,2,0,0,0,0|2,0,0]=4 9034 B12R1.37 CSCCOCCn1cccn1 34a_100000743371_100000212216 [0,2,0,0,0,0|2,0,0]=4 9035 B12R1.37 CSCCOCCn1cccn1 7a_100000230434_100000685285 [0,2,0,0,0,0|2,0,0]=4 9036 B12R1.37 CSCCSCCc1c[nH]cn1 62a_100000212216_100020628418 [0,2,0,0,0,0|2,0,0]=4 9037 B12R1.37 CSCCSCCc1c[nH]cn1 62a_100020628418_100000751147 [0,2,0,0,0,0|2,0,0]=4 9038 B12R1.37 CSCCSCCc1cccs1 62a_100000212216_100000748579 [0,2,0,0,0,0|0,1,0]=3 9039 B12R1.37 CSCCSCCc1cccs1 62a_100000748579_100000751147 [0,2,0,0,0,0|0,1,0]=3 9040 B12R1.37 CSCCSCCn1cccc1 62a_100000212216_200000035178 [0,2,0,0,0,0|2,0,0]=4 9041 B12R1.37 CSCCSCCn1cccc1 62a_200009811947_100000751147 [0,2,0,0,0,0|2,0,0]=4 9042 B12R1.37 CSCCSCCn1cccn1 62a_100000212216_100000685285 [0,2,0,0,0,0|2,0,0]=4 9043 B12R1.37 CSCCSCCn1cccn1 62a_100015204718_100000751147 [0,2,0,0,0,0|2,0,0]=4 9044 B12R1.37 CSCOCCCc1cccs1 34a_100011713143_100011218213 [0,2,0,0,0,0|0,1,0]=3 9045 B12R1.37 CSCOCCCc1ccsc1 34a_200000699776_100011218213 [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.37 CSCOCCCn1cccc1 34a_100000179399_100011218213 [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.37 CSCOCCCn1cccn1 34a_100000753614_100011218213 [0,2,0,0,0,0|2,0,0]=4 9048 B12R1.37 CSCSCCCc1cccs1 62a_100010992444_100011218213 [0,2,0,0,0,0|0,1,0]=3 9049 B12R1.37 CSCSCCCc1cccs1 62a_100011218213_100010992444 [0,2,0,0,0,0|0,1,0]=3 9050 B12R1.37 CSCSCCCn1cccc1 62a_100011218213_200009814367 [0,2,0,0,0,0|2,0,0]=4 9051 B12R1.37 CSCSCCCn1cccc1 62a_200009814367_100011218213 [0,2,0,0,0,0|2,0,0]=4 9052 B12R1.37 CSCSCCCn1cccn1 62a_100000739983_100011218213 [0,2,0,0,0,0|2,0,0]=4 9053 B12R1.37 CSCSCCCn1cccn1 62a_100011218213_100000739983 [0,2,0,0,0,0|2,0,0]=4 9054 B12R1.37 ClCCCCOCc1c[nH]cn1 34a_100000210776_100000707719 [0,2,0,0,0,0|2,0,0]=4 9055 B12R1.37 ClCCCCOCc1ccn[nH]1 34a_100000210776_100000728653 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.37 ClCCCCOCc1ccn[nH]1 7a_100000210776_100000728653 [0,2,0,0,0,0|2,0,0]=4 9057 B12R1.37 ClCCCCOCc1ccon1 34a_100000210776_100000234950 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.37 ClCCCCOCc1ccon1 7a_100000210776_100000234950 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.37 ClCCCCOCc1ccsc1 34a_100000210776_100011261437 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.37 ClCCCCOCc1ccsc1 7a_100000210776_100011261437 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.37 ClCCCCOCc1cncs1 34a_100000210776_100015185245 [0,2,0,0,0,0|1,1,0]=4 9062 B12R1.37 ClCCCCOCc1cncs1 7a_100000210776_100015185245 [0,2,0,0,0,0|1,1,0]=4 9063 B12R1.37 ClCCCCOCc1cscn1 34a_100000210776_100000205941 [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.37 ClCCCCOCc1cscn1 7a_100000210776_100000205941 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.37 ClCCCCOCc1ncc[nH]1 34a_100000210776_100016991755 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.37 ClCCCCOCc1ncc[nH]1 7a_100000210776_100000753453 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.37 ClCCCCOCc1ncco1 34a_100000210776_103436540062 [0,2,0,0,0,0|1,0,0]=3 9068 B12R1.37 ClCCCCOCc1ncco1 7a_100000210776_103436540062 [0,2,0,0,0,0|1,0,0]=3 9069 B12R1.37 ClCCCCOCc1nccs1 34a_100000210776_100015184050 [0,2,0,0,0,0|1,1,0]=4 9070 B12R1.37 ClCCCCOCc1nccs1 7a_100000210776_100015184050 [0,2,0,0,0,0|1,1,0]=4 9071 B12R1.37 ClCCCOCCc1cccs1 34a_100000230001_100000748579 [0,2,0,0,0,0|0,1,0]=3 9072 B12R1.37 ClCCCOCCn1cccn1 34a_100000230001_100015204718 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.37 FCCCCCOc1ccsc1 34a_100000106738_100000729378 [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.37 FCCCCCOc1ccsc1 7a_100000106738_100000729378 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.37 FCCCCCSc1c[nH]cn1 62a_100000729378_100000756875 [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.37 FCCCCCSc1c[nH]cn1 62a_100000756875_100000729378 [0,2,0,0,0,0|2,0,0]=4 9077 B12R1.37 FCCCCCSc1cc[nH]n1 62a_100000062575_100000729378 [0,2,0,0,0,0|2,0,0]=4 9078 B12R1.37 FCCCCCSc1cc[nH]n1 62a_100000729378_100000062575 [0,2,0,0,0,0|2,0,0]=4 9079 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [0,2,0,0,0,0|0,0,0]=2 9080 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [0,2,0,0,0,0|0,0,0]=2 9081 B12R1.37 FCCCCCSc1cccs1 62a_100000729378_100011215356 [0,2,0,0,0,0|0,1,0]=3 9082 B12R1.37 FCCCCCSc1cccs1 62a_100011215356_100000729378 [0,2,0,0,0,0|0,1,0]=3 9083 B12R1.37 FCCCCCSc1ccoc1 62a_100000729378_100011215275 [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.37 FCCCCCSc1ccoc1 62a_100011215275_100000729378 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.37 FCCCCCSc1ccon1 62a_100000729378_100009818083 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.37 FCCCCCSc1ccon1 62a_100009818083_100000729378 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.37 FCCCCCSc1ccsc1 62a_100000729378_100000738268 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.37 FCCCCCSc1ccsc1 62a_100000738268_100000729378 [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.37 FCCCCCSc1ccsn1 62a_100000729378_100009818082 [0,2,0,0,0,0|2,0,0]=4 9090 B12R1.37 FCCCCCSc1ccsn1 62a_100009818082_100000729378 [0,2,0,0,0,0|2,0,0]=4 9091 B12R1.37 FCCCCCSc1cnco1 62a_100000729378_100020591547 [0,2,0,0,0,0|1,0,0]=3 9092 B12R1.37 FCCCCCSc1cnco1 62a_100020591547_100000729378 [0,2,0,0,0,0|1,0,0]=3 9093 B12R1.37 FCCCCCSc1cncs1 62a_100000729378_100011934649 [0,2,0,0,0,0|1,1,0]=4 9094 B12R1.37 FCCCCCSc1cncs1 62a_100011934649_100000729378 [0,2,0,0,0,0|1,1,0]=4 9095 B12R1.37 FCCCCCSc1cscn1 62a_100000729378_100000751502 [0,2,0,0,0,0|2,0,0]=4 9096 B12R1.37 FCCCCCSc1cscn1 62a_100000751502_100000729378 [0,2,0,0,0,0|2,0,0]=4 9097 B12R1.37 FCCCCCSc1ncc[nH]1 62a_100000729378_100025796157 [0,2,0,0,0,0|2,0,0]=4 9098 B12R1.37 FCCCCCSc1ncc[nH]1 62a_100025796157_100000729378 [0,2,0,0,0,0|2,0,0]=4 9099 B12R1.37 FCCCCCSc1ncco1 62a_100000729378_100011787736 [0,2,0,0,0,0|1,0,0]=3 9100 B12R1.37 FCCCCCSc1ncco1 62a_100011787736_100000729378 [0,2,0,0,0,0|1,0,0]=3 9101 B12R1.37 FCCCCCSc1nccs1 62a_100000211983_100000729378 [0,2,0,0,0,0|1,1,0]=4 9102 B12R1.37 FCCCCCSc1nccs1 62a_100000729378_100000211983 [0,2,0,0,0,0|1,1,0]=4 9103 B12R1.37 FCCCCNCc1ccco1 2230a_100000185738_100000729493 [0,2,0,0,0,0|0,0,0]=2 9104 B12R1.37 FCCCCNCc1ccco1 34a_100000185738_100000729493 [0,2,0,0,0,0|0,0,0]=2 9105 B12R1.37 FCCCCNCc1cccs1 2230a_100000211653_100000729493 [0,2,0,0,0,0|0,1,0]=3 9106 B12R1.37 FCCCCNCc1ccoc1 2230a_100015206860_100000729493 [0,2,0,0,0,0|2,0,0]=4 9107 B12R1.37 FCCCCNCc1ccoc1 34a_100015206860_100000729493 [0,2,0,0,0,0|2,0,0]=4 9108 B12R1.37 FCCCCNCc1ccsc1 2230a_100000186416_100000729493 [0,2,0,0,0,0|2,0,0]=4 9109 B12R1.37 FCCCCNCc1ccsc1 34a_100000186416_100000729493 [0,2,0,0,0,0|2,0,0]=4 9110 B12R1.37 FCCCCNCc1cncs1 2230a_100016987365_100000729493 [0,2,0,0,0,0|1,1,0]=4 9111 B12R1.37 FCCCCNCc1cscn1 2230a_100015185402_100000729493 [0,2,0,0,0,0|2,0,0]=4 9112 B12R1.37 FCCCCNCc1ncco1 2230a_100016994969_100000729493 [0,2,0,0,0,0|1,0,0]=3 9113 B12R1.37 FCCCCNCc1nccs1 2230a_100000740555_100000729493 [0,2,0,0,0,0|1,1,0]=4 9114 B12R1.37 FCCCCOCc1c[nH]cn1 34a_100011995726_100000707719 [0,2,0,0,0,0|2,0,0]=4 9115 B12R1.37 FCCCCOCc1ccco1 34a_100000210059_100000729493 [0,2,0,0,0,0|0,0,0]=2 9116 B12R1.37 FCCCCOCc1cccs1 34a_100000211240_100000729493 [0,2,0,0,0,0|0,1,0]=3 9117 B12R1.37 FCCCCOCc1ccn[nH]1 34a_100011995726_100000728653 [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.37 FCCCCOCc1ccn[nH]1 7a_100011995726_100000728653 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.37 FCCCCOCc1ccno1 34a_100000740478_100000729493 [0,2,0,0,0,0|1,0,0]=3 9120 B12R1.37 FCCCCOCc1ccoc1 34a_100011215357_100000729493 [0,2,0,0,0,0|2,0,0]=4 9121 B12R1.37 FCCCCOCc1ccon1 34a_100011995726_100000234950 [0,2,0,0,0,0|2,0,0]=4 9122 B12R1.37 FCCCCOCc1ccon1 7a_100011995726_100000234950 [0,2,0,0,0,0|2,0,0]=4 9123 B12R1.37 FCCCCOCc1ccsc1 34a_100011215551_100000729493 [0,2,0,0,0,0|2,0,0]=4 9124 B12R1.37 FCCCCOCc1ccsc1 34a_100011995726_100011261437 [0,2,0,0,0,0|2,0,0]=4 9125 B12R1.37 FCCCCOCc1ccsc1 7a_100011995726_100011261437 [0,2,0,0,0,0|2,0,0]=4 9126 B12R1.37 FCCCCOCc1cncs1 34a_100011995726_100015185245 [0,2,0,0,0,0|1,1,0]=4 9127 B12R1.37 FCCCCOCc1cncs1 7a_100011995726_100015185245 [0,2,0,0,0,0|1,1,0]=4 9128 B12R1.37 FCCCCOCc1cscn1 34a_100011995726_100000205941 [0,2,0,0,0,0|2,0,0]=4 9129 B12R1.37 FCCCCOCc1cscn1 7a_100011995726_100000205941 [0,2,0,0,0,0|2,0,0]=4 9130 B12R1.37 FCCCCOCc1ncc[nH]1 34a_100011995726_100016991755 [0,2,0,0,0,0|2,0,0]=4 9131 B12R1.37 FCCCCOCc1ncc[nH]1 7a_100011995726_100000753453 [0,2,0,0,0,0|2,0,0]=4 9132 B12R1.37 FCCCCOCc1ncco1 34a_100000062594_100000729493 [0,2,0,0,0,0|1,0,0]=3 9133 B12R1.37 FCCCCOCc1ncco1 34a_100011995726_103436540062 [0,2,0,0,0,0|1,0,0]=3 9134 B12R1.37 FCCCCOCc1ncco1 7a_100011995726_103436540062 [0,2,0,0,0,0|1,0,0]=3 9135 B12R1.37 FCCCCOCc1nccs1 34a_100011995726_100015184050 [0,2,0,0,0,0|1,1,0]=4 9136 B12R1.37 FCCCCOCc1nccs1 7a_100011995726_100015184050 [0,2,0,0,0,0|1,1,0]=4 9137 B12R1.37 FCCCCOCn1cccn1 34a_100000731028_100000729493 [0,2,0,0,0,0|2,0,0]=4 9138 B12R1.37 FCCCCSCc1c[nH]cn1 62a_100000707719_100000729493 [0,2,0,0,0,0|2,0,0]=4 9139 B12R1.37 FCCCCSCc1c[nH]cn1 62a_100000729493_100000707719 [0,2,0,0,0,0|2,0,0]=4 9140 B12R1.37 FCCCCSCc1ccn[nH]1 62a_100000728653_100000729493 [0,2,0,0,0,0|2,0,0]=4 9141 B12R1.37 FCCCCSCc1ccn[nH]1 62a_100000729493_100000728653 [0,2,0,0,0,0|2,0,0]=4 9142 B12R1.37 FCCCCSCc1ccon1 62a_100000234950_100000729493 [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.37 FCCCCSCc1ccon1 62a_100000729493_100000234950 [0,2,0,0,0,0|2,0,0]=4 9144 B12R1.37 FCCCCSCc1ccsc1 62a_100000729493_100011233845 [0,2,0,0,0,0|2,0,0]=4 9145 B12R1.37 FCCCCSCc1ccsc1 62a_100011261437_100000729493 [0,2,0,0,0,0|2,0,0]=4 9146 B12R1.37 FCCCCSCc1cncs1 62a_100000729493_100015185245 [0,2,0,0,0,0|1,1,0]=4 9147 B12R1.37 FCCCCSCc1cncs1 62a_100015185245_100000729493 [0,2,0,0,0,0|1,1,0]=4 9148 B12R1.37 FCCCCSCc1cscn1 62a_100000205941_100000729493 [0,2,0,0,0,0|2,0,0]=4 9149 B12R1.37 FCCCCSCc1cscn1 62a_100000729493_100000205941 [0,2,0,0,0,0|2,0,0]=4 9150 B12R1.37 FCCCCSCc1ncc[nH]1 62a_100000729493_100016991755 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.37 FCCCCSCc1ncc[nH]1 62a_100016991755_100000729493 [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.37 FCCCCSCc1ncco1 62a_100000729493_103436540062 [0,2,0,0,0,0|1,0,0]=3 9153 B12R1.37 FCCCCSCc1ncco1 62a_103436540062_100000729493 [0,2,0,0,0,0|1,0,0]=3 9154 B12R1.37 FCCCCSCc1nccs1 62a_100000729493_100015184050 [0,2,0,0,0,0|1,1,0]=4 9155 B12R1.37 FCCCCSCc1nccs1 62a_100015184050_100000729493 [0,2,0,0,0,0|1,1,0]=4 9156 B12R1.37 FCCCNCCc1c[nH]cn1 2230a_100015189416_100020628418 [0,2,0,0,0,0|2,0,0]=4 9157 B12R1.37 FCCCNCCc1ccco1 2230a_100000694680_100011934791 [0,2,0,0,0,0|0,0,0]=2 9158 B12R1.37 FCCCNCCc1ccco1 34a_100000694680_100011934791 [0,2,0,0,0,0|0,0,0]=2 9159 B12R1.37 FCCCNCCc1cccs1 2230a_100000203755_100011934791 [0,2,0,0,0,0|0,1,0]=3 9160 B12R1.37 FCCCNCCc1cccs1 2230a_100015189416_100000748579 [0,2,0,0,0,0|0,1,0]=3 9161 B12R1.37 FCCCNCCc1cccs1 34a_100000203755_100011934791 [0,2,0,0,0,0|0,1,0]=3 9162 B12R1.37 FCCCNCCc1cccs1 34a_100015189416_100000748579 [0,2,0,0,0,0|0,1,0]=3 9163 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,2,0,0,0,0|2,0,0]=4 9164 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,2,0,0,0,0|2,0,0]=4 9165 B12R1.37 FCCCNCCc1cncs1 2230a_100016991637_100011934791 [0,2,0,0,0,0|1,1,0]=4 9166 B12R1.37 FCCCNCCc1nccs1 2230a_100015186391_100011934791 [0,2,0,0,0,0|1,1,0]=4 9167 B12R1.37 FCCCNCCn1cccc1 2230a_100015189416_200009811947 [0,2,0,0,0,0|2,0,0]=4 9168 B12R1.37 FCCCNCCn1cccc1 34a_100011368172_100011934791 [0,2,0,0,0,0|2,0,0]=4 9169 B12R1.37 FCCCNCCn1cccn1 2230a_100011200920_100011934791 [0,2,0,0,0,0|2,0,0]=4 9170 B12R1.37 FCCCNCCn1cccn1 2230a_100015189416_100000685285 [0,2,0,0,0,0|2,0,0]=4 9171 B12R1.37 FCCCNCCn1cccn1 34a_100015189416_100015204718 [0,2,0,0,0,0|2,0,0]=4 9172 B12R1.37 FCCCOCCc1cccs1 34a_100000759539_100000748579 [0,2,0,0,0,0|0,1,0]=3 9173 B12R1.37 FCCCOCCc1cccs1 34a_100011216825_100011934791 [0,2,0,0,0,0|0,1,0]=3 9174 B12R1.37 FCCCOCCc1cccs1 7a_100011216825_100011934791 [0,2,0,0,0,0|0,1,0]=3 9175 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,2,0,0,0,0|2,0,0]=4 9176 B12R1.37 FCCCOCCc1ncc[nH]1 34a_103549771195_100011934791 [0,2,0,0,0,0|2,0,0]=4 9177 B12R1.37 FCCCOCCn1cccc1 34a_100000179382_100011934791 [0,2,0,0,0,0|2,0,0]=4 9178 B12R1.37 FCCCOCCn1cccn1 34a_100000743371_100011934791 [0,2,0,0,0,0|2,0,0]=4 9179 B12R1.37 FCCCOCCn1cccn1 34a_100000759539_100015204718 [0,2,0,0,0,0|2,0,0]=4 9180 B12R1.37 FCCCSCCc1c[nH]cn1 62a_100011934791_100020628418 [0,2,0,0,0,0|2,0,0]=4 9181 B12R1.37 FCCCSCCc1c[nH]cn1 62a_100020628418_100011934791 [0,2,0,0,0,0|2,0,0]=4 9182 B12R1.37 FCCCSCCc1cccs1 62a_100000748579_100011934791 [0,2,0,0,0,0|0,1,0]=3 9183 B12R1.37 FCCCSCCc1cccs1 62a_100011934791_100000748579 [0,2,0,0,0,0|0,1,0]=3 9184 B12R1.37 FCCCSCCn1cccc1 62a_100011934791_200000035178 [0,2,0,0,0,0|2,0,0]=4 9185 B12R1.37 FCCCSCCn1cccc1 62a_200009811947_100011934791 [0,2,0,0,0,0|2,0,0]=4 9186 B12R1.37 FCCCSCCn1cccn1 62a_100011934791_100000685285 [0,2,0,0,0,0|2,0,0]=4 9187 B12R1.37 FCCCSCCn1cccn1 62a_100015204718_100011934791 [0,2,0,0,0,0|2,0,0]=4 9188 B12R1.37 FCCNCCCc1cccs1 34a_100000724931_100010992444 [0,2,0,0,0,0|0,1,0]=3 9189 B12R1.37 FCCNCCCn1cccc1 34a_100000724931_200009814367 [0,2,0,0,0,0|2,0,0]=4 9190 B12R1.37 FCCOCCCc1cccs1 34a_100011713143_100011217306 [0,2,0,0,0,0|0,1,0]=3 9191 B12R1.37 FCCOCCCc1cccs1 7a_100011713143_100011217306 [0,2,0,0,0,0|0,1,0]=3 9192 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [0,2,0,0,0,0|2,0,0]=4 9194 B12R1.37 FCCOCCCn1cccc1 34a_100000179399_100011217306 [0,2,0,0,0,0|2,0,0]=4 9195 B12R1.37 FCCOCCCn1cccc1 7a_100000179399_100011217306 [0,2,0,0,0,0|2,0,0]=4 9196 B12R1.37 FCCOCCCn1cccn1 34a_100000753614_100011217306 [0,2,0,0,0,0|2,0,0]=4 9197 B12R1.37 FCCSCCCc1cccs1 62a_100010992444_100011217306 [0,2,0,0,0,0|0,1,0]=3 9198 B12R1.37 FCCSCCCc1cccs1 62a_100011217306_100010992444 [0,2,0,0,0,0|0,1,0]=3 9199 B12R1.37 FCCSCCCn1cccc1 62a_100011217306_200009814367 [0,2,0,0,0,0|2,0,0]=4 9200 B12R1.37 FCCSCCCn1cccc1 62a_200009814367_100011217306 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.37 FCCSCCCn1cccn1 62a_100000739983_100011217306 [0,2,0,0,0,0|2,0,0]=4 9202 B12R1.37 FCCSCCCn1cccn1 62a_100011217306_100000739983 [0,2,0,0,0,0|2,0,0]=4 9203 B12R1.37 FCNCCSCc1ccco1 7a_100000184675_100015361967 [0,2,0,0,0,0|1,0,0]=3 9204 B12R1.37 ICCCCOCc1c[nH]cn1 34a_200012148704_100000707719 [0,2,0,0,0,0|2,0,0]=4 9205 B12R1.37 ICCCCOCc1ccn[nH]1 34a_200012148704_100000728653 [0,2,0,0,0,0|2,0,0]=4 9206 B12R1.37 ICCCCOCc1ccon1 34a_200012148704_100000234950 [0,2,0,0,0,0|2,0,0]=4 9207 B12R1.37 ICCCCOCc1ccsc1 34a_200012148704_100011261437 [0,2,0,0,0,0|2,0,0]=4 9208 B12R1.37 ICCCCOCc1cncs1 34a_200012148704_100015185245 [0,2,0,0,0,0|1,1,0]=4 9209 B12R1.37 ICCCCOCc1cscn1 34a_200012148704_100000205941 [0,2,0,0,0,0|2,0,0]=4 9210 B12R1.37 ICCCCOCc1ncc[nH]1 34a_200012148704_100016991755 [0,2,0,0,0,0|2,0,0]=4 9211 B12R1.37 ICCCCOCc1ncco1 34a_200012148704_103436540062 [0,2,0,0,0,0|1,0,0]=3 9212 B12R1.37 ICCCCOCc1nccs1 34a_200012148704_100015184050 [0,2,0,0,0,0|1,1,0]=4 9213 B12R1.37 N#CCCCCSc1ccco1 62a_100009814098_100000211819 [0,2,0,0,0,0|0,0,1]=3 9214 B12R1.37 N#CCCCCSc1ccco1 62a_100011219923_100009814098 [0,2,0,0,0,0|0,0,1]=3 9215 B12R1.37 N#CCCCCSc1cccs1 62a_100011215356_100000211819 [0,2,0,0,0,0|0,1,1]=4 9216 B12R1.37 N#CCCCCSc1cccs1 62a_100011219923_100011215356 [0,2,0,0,0,0|0,1,1]=4 9217 B12R1.37 N#CCCCCSc1cnco1 62a_100011219923_100020591547 [0,2,0,0,0,0|1,0,1]=4 9218 B12R1.37 N#CCCCCSc1cnco1 62a_100020591547_100000211819 [0,2,0,0,0,0|1,0,1]=4 9219 B12R1.37 N#CCCCCSc1ncco1 62a_100011219923_100011787736 [0,2,0,0,0,0|1,0,1]=4 9220 B12R1.37 N#CCCCCSc1ncco1 62a_100011787736_100000211819 [0,2,0,0,0,0|1,0,1]=4 9221 B12R1.37 N#CCCCNCc1ccco1 2230a_100000185738_100000687738 [0,2,0,0,0,0|0,0,1]=3 9222 B12R1.37 N#CCCCNCc1cccs1 2230a_100000211653_100000687738 [0,2,0,0,0,0|0,1,1]=4 9223 B12R1.37 N#CCCCNCc1ncco1 2230a_100016994969_100000687738 [0,2,0,0,0,0|1,0,1]=4 9224 B12R1.37 N#CCCCSCc1ncco1 62a_100000687738_103436540062 [0,2,0,0,0,0|1,0,1]=4 9225 B12R1.37 N#CCCCSCc1ncco1 62a_103436540062_100000687738 [0,2,0,0,0,0|1,0,1]=4 9226 B12R1.37 N#CCCNCCc1ccco1 2230a_100000694680_100011215226 [0,2,0,0,0,0|0,0,1]=3 9227 B12R1.37 N#CCCNCCc1cccs1 2230a_100000203755_100011215226 [0,2,0,0,0,0|0,1,1]=4 9228 B12R1.37 N#CCCOCCc1cccs1 7a_100011216825_100000184422 [0,2,0,0,0,0|0,1,1]=4 9229 B12R1.37 N#CCCSCCc1cccs1 62a_100000748579_100011215226 [0,2,0,0,0,0|0,1,1]=4 9230 B12R1.37 N#CCCSCCc1cccs1 62a_100011215226_100000748579 [0,2,0,0,0,0|0,1,1]=4 9231 B12R1.37 N#CCOCCCc1cccs1 7a_100011713143_100011215382 [0,2,0,0,0,0|0,1,1]=4 9232 B12R1.37 N#CCOCCSc1ccco1 62a_100009814098_200000047693 [0,2,0,0,0,0|1,0,1]=4 9233 B12R1.37 N#CCOCCSc1ccco1 62a_200000047693_100009814098 [0,2,0,0,0,0|1,0,1]=4 9234 B12R1.37 N#CCSCCCc1cccs1 62a_100010992444_100011215382 [0,2,0,0,0,0|0,1,1]=4 9235 B12R1.37 N#CCSCCCc1cccs1 62a_100011215382_100010992444 [0,2,0,0,0,0|0,1,1]=4 9236 B12R1.37 NCCCCOCc1c[nH]cn1 34a_100000750430_100000707719 [0,2,0,0,0,0|2,0,0]=4 9237 B12R1.37 NCCCCOCc1ccn[nH]1 34a_100000750430_100000728653 [0,2,0,0,0,0|2,0,0]=4 9238 B12R1.37 NCCCCOCc1ccon1 34a_100000750430_100000234950 [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [0,2,0,0,0,0|2,0,0]=4 9240 B12R1.37 NCCCCOCc1cncs1 34a_100000750430_100015185245 [0,2,0,0,0,0|1,1,0]=4 9241 B12R1.37 NCCCCOCc1cscn1 34a_100000750430_100000205941 [0,2,0,0,0,0|2,0,0]=4 9242 B12R1.37 NCCCCOCc1ncc[nH]1 34a_100000750430_100016991755 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.37 NCCCCOCc1ncco1 34a_100000750430_103436540062 [0,2,0,0,0,0|1,0,0]=3 9244 B12R1.37 NCCCCOCc1nccs1 34a_100000750430_100015184050 [0,2,0,0,0,0|1,1,0]=4 9245 B12R1.37 NCCCOCCc1cccs1 34a_100000182051_100000748579 [0,2,0,0,0,0|0,1,0]=3 9246 B12R1.37 NCCCOCCn1cccn1 34a_100000182051_100015204718 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [0,2,0,0,0,0|0,1,0]=3 9248 B12R1.37 NCCOCCCn1cccc1 34a_100000210304_200009814367 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.37 NOCCOCCc1cccs1 34a_100000700252_100000748579 [0,2,0,0,0,0|1,1,0]=4 9250 B12R1.37 O=CCCCCSc1ccco1 62a_100000139335_100009814098 [0,2,0,0,0,0|0,0,1]=3 9251 B12R1.37 O=CCCCCSc1ccco1 62a_100009814098_100000139335 [0,2,0,0,0,0|0,0,1]=3 9252 B12R1.37 O=CCCCCSc1cccs1 62a_100000139335_100011215356 [0,2,0,0,0,0|0,1,1]=4 9253 B12R1.37 O=CCCCCSc1cccs1 62a_100011215356_100000139335 [0,2,0,0,0,0|0,1,1]=4 9254 B12R1.37 O=CCCCCSc1cnco1 62a_100000139335_100020591547 [0,2,0,0,0,0|1,0,1]=4 9255 B12R1.37 O=CCCCCSc1cnco1 62a_100020591547_100000139335 [0,2,0,0,0,0|1,0,1]=4 9256 B12R1.37 O=CCCCCSc1ncco1 62a_100000139335_100011787736 [0,2,0,0,0,0|1,0,1]=4 9257 B12R1.37 O=CCCCCSc1ncco1 62a_100011787736_100000139335 [0,2,0,0,0,0|1,0,1]=4 9258 B12R1.37 O=CCCCNCc1ccco1 2230a_100000185738_200011292268 [0,2,0,0,0,0|0,0,1]=3 9259 B12R1.37 O=CCCCNCc1cccs1 2230a_100000211653_200011292268 [0,2,0,0,0,0|0,1,1]=4 9260 B12R1.37 O=CCCCNCc1ncco1 2230a_100016994969_200011292268 [0,2,0,0,0,0|1,0,1]=4 9261 B12R1.37 O=CCCCSCc1ncco1 62a_103436540062_200011292268 [0,2,0,0,0,0|1,0,1]=4 9262 B12R1.37 O=CCCCSCc1ncco1 62a_200011292268_103436540062 [0,2,0,0,0,0|1,0,1]=4 9263 B12R1.37 O=CCOCCCc1cccs1 34a_100011713143_200009817547 [0,2,0,0,0,0|0,1,1]=4 9264 B12R1.37 O=CCOCCCc1cccs1 7a_100011713143_200015260668 [0,2,0,0,0,0|0,1,1]=4 9265 B12R1.37 O=CCSCCCc1cccs1 62a_100010992444_200015260668 [0,2,0,0,0,0|0,1,1]=4 9266 B12R1.37 O=CCSCCCc1cccs1 62a_200015260668_100010992444 [0,2,0,0,0,0|0,1,1]=4 9267 B12R1.37 OCC#CCNCc1ccco1 2230a_100000185738_200000047223 [0,2,0,0,0,0|0,0,2]=4 9268 B12R1.37 OCC#CCNCc1ccco1 34a_100000185738_200000047223 [0,2,0,0,0,0|0,0,2]=4 9269 B12R1.37 OCC#CCOCc1ccco1 34a_100000210059_200000047223 [0,2,0,0,0,0|0,0,2]=4 9270 B12R1.37 OCCCCCOc1ccsc1 34a_100000106738_100000746330 [0,2,0,0,0,0|2,0,0]=4 9271 B12R1.37 OCCCCCOc1ccsc1 7a_100000106738_100000746330 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.37 OCCCCCSc1c[nH]cn1 62a_100000746330_100000756875 [0,2,0,0,0,0|2,0,0]=4 9273 B12R1.37 OCCCCCSc1c[nH]cn1 62a_100000756875_100000746330 [0,2,0,0,0,0|2,0,0]=4 9274 B12R1.37 OCCCCCSc1cc[nH]n1 62a_100000062575_100000746330 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.37 OCCCCCSc1cc[nH]n1 62a_100000746330_100000062575 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [0,2,0,0,0,0|0,0,0]=2 9277 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [0,2,0,0,0,0|0,0,0]=2 9278 B12R1.37 OCCCCCSc1cccs1 62a_100000746330_100011215356 [0,2,0,0,0,0|0,1,0]=3 9279 B12R1.37 OCCCCCSc1cccs1 62a_100011215356_100000746330 [0,2,0,0,0,0|0,1,0]=3 9280 B12R1.37 OCCCCCSc1ccoc1 62a_100000746330_100011215275 [0,2,0,0,0,0|2,0,0]=4 9281 B12R1.37 OCCCCCSc1ccoc1 62a_100011215275_100000746330 [0,2,0,0,0,0|2,0,0]=4 9282 B12R1.37 OCCCCCSc1ccon1 62a_100000746330_100009818083 [0,2,0,0,0,0|2,0,0]=4 9283 B12R1.37 OCCCCCSc1ccon1 62a_100009818083_100000746330 [0,2,0,0,0,0|2,0,0]=4 9284 B12R1.37 OCCCCCSc1ccsc1 62a_100000738268_100000746330 [0,2,0,0,0,0|2,0,0]=4 9285 B12R1.37 OCCCCCSc1ccsc1 62a_100000746330_100000738268 [0,2,0,0,0,0|2,0,0]=4 9286 B12R1.37 OCCCCCSc1ccsn1 62a_100000746330_100009818082 [0,2,0,0,0,0|2,0,0]=4 9287 B12R1.37 OCCCCCSc1ccsn1 62a_100009818082_100000746330 [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.37 OCCCCCSc1cnco1 62a_100000746330_100020591547 [0,2,0,0,0,0|1,0,0]=3 9289 B12R1.37 OCCCCCSc1cnco1 62a_100020591547_100000746330 [0,2,0,0,0,0|1,0,0]=3 9290 B12R1.37 OCCCCCSc1cncs1 62a_100000746330_100011934649 [0,2,0,0,0,0|1,1,0]=4 9291 B12R1.37 OCCCCCSc1cncs1 62a_100011934649_100000746330 [0,2,0,0,0,0|1,1,0]=4 9292 B12R1.37 OCCCCCSc1cscn1 62a_100000746330_100000751502 [0,2,0,0,0,0|2,0,0]=4 9293 B12R1.37 OCCCCCSc1cscn1 62a_100000751502_100000746330 [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.37 OCCCCCSc1ncc[nH]1 62a_100000746330_100025796157 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.37 OCCCCCSc1ncc[nH]1 62a_100025796157_100000746330 [0,2,0,0,0,0|2,0,0]=4 9296 B12R1.37 OCCCCCSc1ncco1 62a_100000746330_100011787736 [0,2,0,0,0,0|1,0,0]=3 9297 B12R1.37 OCCCCCSc1ncco1 62a_100011787736_100000746330 [0,2,0,0,0,0|1,0,0]=3 9298 B12R1.37 OCCCCCSc1nccs1 62a_100000211983_100000746330 [0,2,0,0,0,0|1,1,0]=4 9299 B12R1.37 OCCCCCSc1nccs1 62a_100000746330_100000211983 [0,2,0,0,0,0|1,1,0]=4 9300 B12R1.37 OCCCCNCc1c[nH]cn1 2230a_100000750430_100000707719 [0,2,0,0,0,0|2,0,0]=4 9301 B12R1.37 OCCCCNCc1c[nH]cn1 34a_100000750430_100000707719 [0,2,0,0,0,0|2,0,0]=4 9302 B12R1.37 OCCCCNCc1cc[nH]n1 207a_100000750430_100000738523 [0,2,0,0,0,0|2,0,0]=4 9303 B12R1.37 OCCCCNCc1cc[nH]n1 270004a_100000750430_100000738523 [0,2,0,0,0,0|2,0,0]=4 9304 B12R1.37 OCCCCNCc1ccco1 207a_100000750430_100000186105 [0,2,0,0,0,0|0,0,0]=2 9305 B12R1.37 OCCCCNCc1ccco1 2230a_100000185738_100000210776 [0,2,0,0,0,0|0,0,0]=2 9306 B12R1.37 OCCCCNCc1ccco1 270004a_100000750430_100000186105 [0,2,0,0,0,0|0,0,0]=2 9307 B12R1.37 OCCCCNCc1ccco1 34a_100000185738_100011216708 [0,2,0,0,0,0|0,0,0]=2 9308 B12R1.37 OCCCCNCc1cccs1 207a_100000750430_100000209959 [0,2,0,0,0,0|0,1,0]=3 9309 B12R1.37 OCCCCNCc1cccs1 2230a_100000211653_100000210776 [0,2,0,0,0,0|0,1,0]=3 9310 B12R1.37 OCCCCNCc1cccs1 270004a_100000750430_100000209959 [0,2,0,0,0,0|0,1,0]=3 9311 B12R1.37 OCCCCNCc1ccn[nH]1 2230a_100000750430_100000728653 [0,2,0,0,0,0|2,0,0]=4 9312 B12R1.37 OCCCCNCc1ccn[nH]1 34a_100000750430_100000728653 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.37 OCCCCNCc1ccoc1 207a_100000750430_100011215517 [0,2,0,0,0,0|2,0,0]=4 9314 B12R1.37 OCCCCNCc1ccoc1 2230a_100015206860_100000210776 [0,2,0,0,0,0|2,0,0]=4 9315 B12R1.37 OCCCCNCc1ccoc1 270004a_100000750430_100011215517 [0,2,0,0,0,0|2,0,0]=4 9316 B12R1.37 OCCCCNCc1ccoc1 34a_100015206860_100011216708 [0,2,0,0,0,0|2,0,0]=4 9317 B12R1.37 OCCCCNCc1ccon1 2230a_100000750430_100000234950 [0,2,0,0,0,0|2,0,0]=4 9318 B12R1.37 OCCCCNCc1ccon1 34a_100000750430_100000234950 [0,2,0,0,0,0|2,0,0]=4 9319 B12R1.37 OCCCCNCc1ccsc1 207a_100000750430_100000188534 [0,2,0,0,0,0|2,0,0]=4 9320 B12R1.37 OCCCCNCc1ccsc1 2230a_100000186416_100000210776 [0,2,0,0,0,0|2,0,0]=4 9321 B12R1.37 OCCCCNCc1ccsc1 2230a_100000750430_100011261437 [0,2,0,0,0,0|2,0,0]=4 9322 B12R1.37 OCCCCNCc1ccsc1 270004a_100000750430_100000188534 [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.37 OCCCCNCc1ccsc1 34a_100000186416_100011216708 [0,2,0,0,0,0|2,0,0]=4 9324 B12R1.37 OCCCCNCc1ccsc1 34a_100000750430_100011261437 [0,2,0,0,0,0|2,0,0]=4 9325 B12R1.37 OCCCCNCc1cnc[nH]1 207a_100000750430_100000742939 [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.37 OCCCCNCc1cnco1 270004a_100000750430_100000064291 [0,2,0,0,0,0|1,0,0]=3 9327 B12R1.37 OCCCCNCc1cncs1 207a_100000750430_100000749870 [0,2,0,0,0,0|1,1,0]=4 9328 B12R1.37 OCCCCNCc1cncs1 2230a_100000750430_100015185245 [0,2,0,0,0,0|1,1,0]=4 9329 B12R1.37 OCCCCNCc1cncs1 2230a_100016987365_100000210776 [0,2,0,0,0,0|1,1,0]=4 9330 B12R1.37 OCCCCNCc1cncs1 270004a_100000750430_100000749870 [0,2,0,0,0,0|1,1,0]=4 9331 B12R1.37 OCCCCNCc1cncs1 34a_100000750430_100015185245 [0,2,0,0,0,0|1,1,0]=4 9332 B12R1.37 OCCCCNCc1cocn1 270004a_100000750430_100000050382 [0,2,0,0,0,0|2,0,0]=4 9333 B12R1.37 OCCCCNCc1cscn1 207a_100000750430_100000743575 [0,2,0,0,0,0|2,0,0]=4 9334 B12R1.37 OCCCCNCc1cscn1 2230a_100000750430_100000205941 [0,2,0,0,0,0|2,0,0]=4 9335 B12R1.37 OCCCCNCc1cscn1 2230a_100015185402_100000210776 [0,2,0,0,0,0|2,0,0]=4 9336 B12R1.37 OCCCCNCc1cscn1 270004a_100000750430_100000743575 [0,2,0,0,0,0|2,0,0]=4 9337 B12R1.37 OCCCCNCc1cscn1 34a_100000750430_100000205941 [0,2,0,0,0,0|2,0,0]=4 9338 B12R1.37 OCCCCNCc1ncc[nH]1 207a_100000750430_100000743867 [0,2,0,0,0,0|2,0,0]=4 9339 B12R1.37 OCCCCNCc1ncc[nH]1 2230a_100000750430_100016991755 [0,2,0,0,0,0|2,0,0]=4 9340 B12R1.37 OCCCCNCc1ncc[nH]1 34a_100000750430_100016991755 [0,2,0,0,0,0|2,0,0]=4 9341 B12R1.37 OCCCCNCc1ncco1 2230a_100000750430_103436540062 [0,2,0,0,0,0|1,0,0]=3 9342 B12R1.37 OCCCCNCc1ncco1 2230a_100016994969_100000210776 [0,2,0,0,0,0|1,0,0]=3 9343 B12R1.37 OCCCCNCc1ncco1 270004a_100000750430_100000064290 [0,2,0,0,0,0|1,0,0]=3 9344 B12R1.37 OCCCCNCc1ncco1 34a_100000750430_103436540062 [0,2,0,0,0,0|1,0,0]=3 9345 B12R1.37 OCCCCNCc1nccs1 207a_100000750430_100000750902 [0,2,0,0,0,0|1,1,0]=4 9346 B12R1.37 OCCCCNCc1nccs1 2230a_100000740555_100000210776 [0,2,0,0,0,0|1,1,0]=4 9347 B12R1.37 OCCCCNCc1nccs1 2230a_100000750430_100015184050 [0,2,0,0,0,0|1,1,0]=4 9348 B12R1.37 OCCCCNCc1nccs1 270004a_100000750430_100000750902 [0,2,0,0,0,0|1,1,0]=4 9349 B12R1.37 OCCCCNCc1nccs1 34a_100000750430_100015184050 [0,2,0,0,0,0|1,1,0]=4 9350 B12R1.37 OCCCCOCc1ccco1 34a_100000210059_100011216708 [0,2,0,0,0,0|0,0,0]=2 9351 B12R1.37 OCCCCOCc1cccs1 34a_100000211240_100011216708 [0,2,0,0,0,0|0,1,0]=3 9352 B12R1.37 OCCCCOCc1ccno1 34a_100000740478_100011216708 [0,2,0,0,0,0|1,0,0]=3 9353 B12R1.37 OCCCCOCc1ccoc1 34a_100011215357_100011216708 [0,2,0,0,0,0|2,0,0]=4 9354 B12R1.37 OCCCCOCc1ccsc1 34a_100011215551_100011216708 [0,2,0,0,0,0|2,0,0]=4 9355 B12R1.37 OCCCCOCc1ncco1 34a_100000062594_100011216708 [0,2,0,0,0,0|1,0,0]=3 9356 B12R1.37 OCCCCOCn1cccn1 34a_100000731028_100011216708 [0,2,0,0,0,0|2,0,0]=4 9357 B12R1.37 OCCCCSCc1c[nH]cn1 62a_100000210776_100000707719 [0,2,0,0,0,0|2,0,0]=4 9358 B12R1.37 OCCCCSCc1c[nH]cn1 62a_100000707719_100000210776 [0,2,0,0,0,0|2,0,0]=4 9359 B12R1.37 OCCCCSCc1ccn[nH]1 62a_100000210776_100000728653 [0,2,0,0,0,0|2,0,0]=4 9360 B12R1.37 OCCCCSCc1ccn[nH]1 62a_100000728653_100000210776 [0,2,0,0,0,0|2,0,0]=4 9361 B12R1.37 OCCCCSCc1ccon1 62a_100000210776_100000234950 [0,2,0,0,0,0|2,0,0]=4 9362 B12R1.37 OCCCCSCc1ccon1 62a_100000234950_100000210776 [0,2,0,0,0,0|2,0,0]=4 9363 B12R1.37 OCCCCSCc1ccsc1 62a_100000210776_100011233845 [0,2,0,0,0,0|2,0,0]=4 9364 B12R1.37 OCCCCSCc1ccsc1 62a_100011261437_100000210776 [0,2,0,0,0,0|2,0,0]=4 9365 B12R1.37 OCCCCSCc1cncs1 62a_100000210776_100015185245 [0,2,0,0,0,0|1,1,0]=4 9366 B12R1.37 OCCCCSCc1cncs1 62a_100015185245_100000210776 [0,2,0,0,0,0|1,1,0]=4 9367 B12R1.37 OCCCCSCc1cscn1 62a_100000205941_100000210776 [0,2,0,0,0,0|2,0,0]=4 9368 B12R1.37 OCCCCSCc1cscn1 62a_100000210776_100000205941 [0,2,0,0,0,0|2,0,0]=4 9369 B12R1.37 OCCCCSCc1ncc[nH]1 62a_100000210776_100016991755 [0,2,0,0,0,0|2,0,0]=4 9370 B12R1.37 OCCCCSCc1ncc[nH]1 62a_100016991755_100000210776 [0,2,0,0,0,0|2,0,0]=4 9371 B12R1.37 OCCCCSCc1ncco1 62a_100000210776_103436540062 [0,2,0,0,0,0|1,0,0]=3 9372 B12R1.37 OCCCCSCc1ncco1 62a_103436540062_100000210776 [0,2,0,0,0,0|1,0,0]=3 9373 B12R1.37 OCCCCSCc1nccs1 62a_100000210776_100015184050 [0,2,0,0,0,0|1,1,0]=4 9374 B12R1.37 OCCCCSCc1nccs1 62a_100015184050_100000210776 [0,2,0,0,0,0|1,1,0]=4 9375 B12R1.37 OCCCNCCc1ccco1 2230a_100000694680_100000230001 [0,2,0,0,0,0|0,0,0]=2 9376 B12R1.37 OCCCNCCc1ccco1 34a_100000694680_100000230001 [0,2,0,0,0,0|0,0,0]=2 9377 B12R1.37 OCCCNCCc1cccs1 2230a_100000203755_100000230001 [0,2,0,0,0,0|0,1,0]=3 9378 B12R1.37 OCCCNCCc1cccs1 34a_100000203755_100000230001 [0,2,0,0,0,0|0,1,0]=3 9379 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,2,0,0,0,0|2,0,0]=4 9380 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,2,0,0,0,0|2,0,0]=4 9381 B12R1.37 OCCCNCCc1cncs1 2230a_100016991637_100000230001 [0,2,0,0,0,0|1,1,0]=4 9382 B12R1.37 OCCCNCCc1nccs1 2230a_100015186391_100000230001 [0,2,0,0,0,0|1,1,0]=4 9383 B12R1.37 OCCCNCCn1cccc1 34a_100011368172_100000230001 [0,2,0,0,0,0|2,0,0]=4 9384 B12R1.37 OCCCNCCn1cccn1 2230a_100011200920_100000230001 [0,2,0,0,0,0|2,0,0]=4 9385 B12R1.37 OCCCOCCc1cccs1 34a_100011216825_100000230001 [0,2,0,0,0,0|0,1,0]=3 9386 B12R1.37 OCCCOCCc1cccs1 7a_100011216825_100011215043 [0,2,0,0,0,0|0,1,0]=3 9387 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,2,0,0,0,0|2,0,0]=4 9388 B12R1.37 OCCCOCCc1ncc[nH]1 34a_103549771195_100000230001 [0,2,0,0,0,0|2,0,0]=4 9389 B12R1.37 OCCCOCCn1cccc1 34a_100000179382_100000230001 [0,2,0,0,0,0|2,0,0]=4 9390 B12R1.37 OCCCOCCn1cccn1 34a_100000743371_100000230001 [0,2,0,0,0,0|2,0,0]=4 9391 B12R1.37 OCCCSCCc1c[nH]cn1 62a_100011215043_100020628418 [0,2,0,0,0,0|2,0,0]=4 9392 B12R1.37 OCCCSCCc1c[nH]cn1 62a_100020628418_100011215043 [0,2,0,0,0,0|2,0,0]=4 9393 B12R1.37 OCCCSCCc1cccs1 62a_100000748579_100011215043 [0,2,0,0,0,0|0,1,0]=3 9394 B12R1.37 OCCCSCCc1cccs1 62a_100011215043_100000748579 [0,2,0,0,0,0|0,1,0]=3 9395 B12R1.37 OCCCSCCn1cccc1 62a_100011215043_200000035178 [0,2,0,0,0,0|2,0,0]=4 9396 B12R1.37 OCCCSCCn1cccc1 62a_200009811947_100011215043 [0,2,0,0,0,0|2,0,0]=4 9397 B12R1.37 OCCCSCCn1cccn1 62a_100011215043_100000685285 [0,2,0,0,0,0|2,0,0]=4 9398 B12R1.37 OCCCSCCn1cccn1 62a_100015204718_100011215043 [0,2,0,0,0,0|2,0,0]=4 9399 B12R1.37 OCCNCC=Cc1ccco1 270004a_100000210304_100000185671 [0,2,0,0,0,0|0,0,2]=4 9400 B12R1.37 OCCNCCCc1cccs1 2230a_100016997473_100010992444 [0,2,0,0,0,0|0,1,0]=3 9401 B12R1.37 OCCNCCCc1cccs1 34a_100016990907_100010992444 [0,2,0,0,0,0|0,1,0]=3 9402 B12R1.37 OCCNCCCn1cccc1 2230a_100016997473_200009814367 [0,2,0,0,0,0|2,0,0]=4 9403 B12R1.37 OCCNCCCn1cccc1 34a_100016990907_200009814367 [0,2,0,0,0,0|2,0,0]=4 9404 B12R1.37 OCCNCCCn1cccn1 2230a_100016997473_100000739983 [0,2,0,0,0,0|2,0,0]=4 9405 B12R1.37 OCCOCCCc1cccs1 34a_100011713143_100000211926 [0,2,0,0,0,0|0,1,0]=3 9406 B12R1.37 OCCOCCCc1cccs1 7a_100011713143_100000211926 [0,2,0,0,0,0|0,1,0]=3 9407 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [0,2,0,0,0,0|2,0,0]=4 9408 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [0,2,0,0,0,0|2,0,0]=4 9409 B12R1.37 OCCOCCCn1cccc1 34a_100000179399_100000211926 [0,2,0,0,0,0|2,0,0]=4 9410 B12R1.37 OCCOCCCn1cccc1 7a_100000179399_100000211926 [0,2,0,0,0,0|2,0,0]=4 9411 B12R1.37 OCCOCCCn1cccn1 34a_100000753614_100000211926 [0,2,0,0,0,0|2,0,0]=4 9412 B12R1.37 OCCOCCSc1ccco1 62a_100009814098_100011215305 [0,2,0,0,0,0|1,0,0]=3 9413 B12R1.37 OCCOCCSc1ccco1 62a_100011215305_100009814098 [0,2,0,0,0,0|1,0,0]=3 9414 B12R1.37 OCCOCCSc1cccs1 62a_100011215305_100011215356 [0,2,0,0,0,0|1,1,0]=4 9415 B12R1.37 OCCOCCSc1cccs1 62a_100011215356_100011215305 [0,2,0,0,0,0|1,1,0]=4 9416 B12R1.37 OCCOCCSc1cnco1 62a_100011215305_100020591547 [0,2,0,0,0,0|2,0,0]=4 9417 B12R1.37 OCCOCCSc1cnco1 62a_100020591547_100011215305 [0,2,0,0,0,0|2,0,0]=4 9418 B12R1.37 OCCOCCSc1ncco1 62a_100011215305_100011787736 [0,2,0,0,0,0|2,0,0]=4 9419 B12R1.37 OCCOCCSc1ncco1 62a_100011787736_100011215305 [0,2,0,0,0,0|2,0,0]=4 9420 B12R1.37 OCCSCCCc1cccs1 62a_100000211926_100010992444 [0,2,0,0,0,0|0,1,0]=3 9421 B12R1.37 OCCSCCCc1cccs1 62a_100010992444_100000211926 [0,2,0,0,0,0|0,1,0]=3 9422 B12R1.37 OCCSCCCn1cccc1 62a_100000211926_200009814367 [0,2,0,0,0,0|2,0,0]=4 9423 B12R1.37 OCCSCCCn1cccc1 62a_200009814367_100000211926 [0,2,0,0,0,0|2,0,0]=4 9424 B12R1.37 OCCSCCCn1cccn1 62a_100000211926_100000739983 [0,2,0,0,0,0|2,0,0]=4 9425 B12R1.37 OCCSCCCn1cccn1 62a_100000739983_100000211926 [0,2,0,0,0,0|2,0,0]=4 9426 B12R1.37 [13CH3]OCCCNCc1cccs1 34a_100015187169_200025704644 [0,2,0,0,0,0|0,1,0]=3 9427 B12R1.51 C#CCC(=O)CCc1ccco1 1458a_100000185103_100000184674 [0,2,0,0,0,0|0,0,2]=4 9428 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,2,0,0,0,0|0,0,2]=4 9429 B12R1.51 CC(CC#N)NCc1ccco1 2230a_100000185738_100009813641 [0,2,0,0,0,0|1,0,1]=4 9430 B12R1.51 CC(CCBr)OCc1ncco1 34a_100012276601_103436540062 [0,2,0,0,0,0|2,0,0]=4 9431 B12R1.51 CC(CCO)NCc1ccco1 2230a_100000185738_100009893172 [0,2,0,0,0,0|1,0,0]=3 9432 B12R1.51 CC(CCO)NCc1ccco1 34a_100000185738_100009893172 [0,2,0,0,0,0|1,0,0]=3 9433 B12R1.51 CC(CCO)NCc1cccs1 2230a_100000211653_100009893172 [0,2,0,0,0,0|1,1,0]=4 9434 B12R1.51 CC(CCO)NCc1ncco1 2230a_100016994969_100009893172 [0,2,0,0,0,0|2,0,0]=4 9435 B12R1.51 CC(CCO)OCc1ccco1 34a_100000210059_100009893172 [0,2,0,0,0,0|1,0,0]=3 9436 B12R1.51 CC(CCO)OCc1cccs1 34a_100000211240_100009893172 [0,2,0,0,0,0|1,1,0]=4 9437 B12R1.51 CC(CCO)OCc1ccno1 34a_100000740478_100009893172 [0,2,0,0,0,0|2,0,0]=4 9438 B12R1.51 CC(CCO)OCc1ncco1 34a_100000062594_100009893172 [0,2,0,0,0,0|2,0,0]=4 9439 B12R1.51 CC(CCO)SCc1ncco1 62a_100009893172_103436540062 [0,2,0,0,0,0|2,0,0]=4 9440 B12R1.51 CC(CCO)SCc1ncco1 62a_103436540062_100009893172 [0,2,0,0,0,0|2,0,0]=4 9441 B12R1.51 CC(CCc1ccco1)NCF 34a_100000199034_100015361967 [0,2,0,0,0,0|1,0,0]=3 9442 B12R1.51 CCCC(=O)CCc1c[nH]cn1 1458a_100000211992_100020628418 [0,2,0,0,0,0|2,0,0]=4 9443 B12R1.51 CCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210303 [0,2,0,0,0,0|2,0,0]=4 9444 B12R1.51 CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210303 [0,2,0,0,0,0|1,0,0]=3 9445 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [0,2,0,0,0,0|0,0,0]=2 9446 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000185280_100000210303 [0,2,0,0,0,0|0,1,0]=3 9447 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000211992_100000748579 [0,2,0,0,0,0|0,1,0]=3 9448 B12R1.51 CCCC(=O)CCc1ccsc1 1458a_100000195497_100000210303 [0,2,0,0,0,0|2,0,0]=4 9449 B12R1.51 CCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210303 [0,2,0,0,0,0|2,0,0]=4 9450 B12R1.51 CCCC(=O)CCc1cncs1 1458a_100012184922_100000210303 [0,2,0,0,0,0|1,1,0]=4 9451 B12R1.51 CCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210303 [0,2,0,0,0,0|2,0,0]=4 9452 B12R1.51 CCCC(=O)CCc1nccs1 1458a_100000742873_100000210303 [0,2,0,0,0,0|1,1,0]=4 9453 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100000211992_200000035178 [0,2,0,0,0,0|2,0,0]=4 9454 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100011196273_100000210303 [0,2,0,0,0,0|2,0,0]=4 9455 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000211992_100000685285 [0,2,0,0,0,0|2,0,0]=4 9456 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000242649_100000210303 [0,2,0,0,0,0|2,0,0]=4 9457 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [0,2,0,0,0,0|0,0,1]=3 9458 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [0,2,0,0,0,0|0,0,1]=3 9459 B12R1.51 CCCC(=O)CSc1cccs1 62a_100000747444_100011215356 [0,2,0,0,0,0|0,1,1]=4 9460 B12R1.51 CCCC(=O)CSc1cccs1 62a_100011215356_100000747444 [0,2,0,0,0,0|0,1,1]=4 9461 B12R1.51 CCCC(=O)CSc1cnco1 62a_100000747444_100020591547 [0,2,0,0,0,0|1,0,1]=4 9462 B12R1.51 CCCC(=O)CSc1cnco1 62a_100020591547_100000747444 [0,2,0,0,0,0|1,0,1]=4 9463 B12R1.51 CCCC(=O)CSc1ncco1 62a_100000747444_100011787736 [0,2,0,0,0,0|1,0,1]=4 9464 B12R1.51 CCCC(=O)CSc1ncco1 62a_100011787736_100000747444 [0,2,0,0,0,0|1,0,1]=4 9465 B12R1.51 CCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211992 [0,2,0,0,0,0|1,0,1]=4 9466 B12R1.51 CCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211992 [0,2,0,0,0,0|1,0,1]=4 9467 B12R1.51 CCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211992 [0,2,0,0,0,0|1,0,1]=4 9468 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [0,2,0,0,0,0|0,0,1]=3 9469 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [0,2,0,0,0,0|0,0,1]=3 9470 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [0,2,0,0,0,0|0,0,1]=3 9471 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [0,2,0,0,0,0|0,0,1]=3 9472 B12R1.51 CCCC(=O)NCc1cccs1 11a_100000211653_100000211992 [0,2,0,0,0,0|0,1,1]=4 9473 B12R1.51 CCCC(=O)NCc1cccs1 1626a_100000211653_100000211992 [0,2,0,0,0,0|0,1,1]=4 9474 B12R1.51 CCCC(=O)NCc1cccs1 240690a_100000211653_100000211992 [0,2,0,0,0,0|0,1,1]=4 9475 B12R1.51 CCCC(=O)NCc1cccs1 527a_100000211653_100000211992 [0,2,0,0,0,0|0,1,1]=4 9476 B12R1.51 CCCC(=O)NCc1cnco1 11a_100020634212_100000211992 [0,2,0,0,0,0|1,0,1]=4 9477 B12R1.51 CCCC(=O)NCc1cnco1 240690a_100020634212_100000211992 [0,2,0,0,0,0|1,0,1]=4 9478 B12R1.51 CCCC(=O)NCc1cnco1 527a_100020634212_100000211992 [0,2,0,0,0,0|1,0,1]=4 9479 B12R1.51 CCCC(=O)NCc1ncco1 11a_100016994969_100000211992 [0,2,0,0,0,0|1,0,1]=4 9480 B12R1.51 CCCC(=O)NCc1ncco1 1626a_100016994969_100000211992 [0,2,0,0,0,0|1,0,1]=4 9481 B12R1.51 CCCC(=O)NCc1ncco1 240690a_100016994969_100000211992 [0,2,0,0,0,0|1,0,1]=4 9482 B12R1.51 CCCC(=O)NCc1ncco1 527a_100016994969_100000211992 [0,2,0,0,0,0|1,0,1]=4 9483 B12R1.51 CCCC(C)COc1ccsc1 34a_100000106738_100011216630 [0,2,0,0,0,0|2,0,0]=4 9484 B12R1.51 CCCC(C)COc1ccsc1 7a_100000106738_100011216630 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.51 CCCC(C)CSc1c[nH]cn1 62a_100000756875_100011216630 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.51 CCCC(C)CSc1c[nH]cn1 62a_100011216630_100000756875 [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.51 CCCC(C)CSc1cc[nH]n1 62a_100000062575_100011216630 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.51 CCCC(C)CSc1cc[nH]n1 62a_100011216630_100000062575 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [0,2,0,0,0,0|0,0,0]=2 9490 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [0,2,0,0,0,0|0,0,0]=2 9491 B12R1.51 CCCC(C)CSc1cccs1 62a_100011215356_100011216630 [0,2,0,0,0,0|0,1,0]=3 9492 B12R1.51 CCCC(C)CSc1cccs1 62a_100011216630_100011215356 [0,2,0,0,0,0|0,1,0]=3 9493 B12R1.51 CCCC(C)CSc1ccoc1 62a_100011215275_100011216630 [0,2,0,0,0,0|2,0,0]=4 9494 B12R1.51 CCCC(C)CSc1ccoc1 62a_100011216630_100011215275 [0,2,0,0,0,0|2,0,0]=4 9495 B12R1.51 CCCC(C)CSc1ccon1 62a_100009818083_100011216630 [0,2,0,0,0,0|2,0,0]=4 9496 B12R1.51 CCCC(C)CSc1ccon1 62a_100011216630_100009818083 [0,2,0,0,0,0|2,0,0]=4 9497 B12R1.51 CCCC(C)CSc1ccsc1 62a_100000738268_100011216630 [0,2,0,0,0,0|2,0,0]=4 9498 B12R1.51 CCCC(C)CSc1ccsc1 62a_100011216630_100000738268 [0,2,0,0,0,0|2,0,0]=4 9499 B12R1.51 CCCC(C)CSc1ccsn1 62a_100009818082_100011216630 [0,2,0,0,0,0|2,0,0]=4 9500 B12R1.51 CCCC(C)CSc1ccsn1 62a_100011216630_100009818082 [0,2,0,0,0,0|2,0,0]=4 9501 B12R1.51 CCCC(C)CSc1cnco1 62a_100011216630_100020591547 [0,2,0,0,0,0|1,0,0]=3 9502 B12R1.51 CCCC(C)CSc1cnco1 62a_100020591547_100011216630 [0,2,0,0,0,0|1,0,0]=3 9503 B12R1.51 CCCC(C)CSc1cncs1 62a_100011216630_100011934649 [0,2,0,0,0,0|1,1,0]=4 9504 B12R1.51 CCCC(C)CSc1cncs1 62a_100011934649_100011216630 [0,2,0,0,0,0|1,1,0]=4 9505 B12R1.51 CCCC(C)CSc1cscn1 62a_100000751502_100011216630 [0,2,0,0,0,0|2,0,0]=4 9506 B12R1.51 CCCC(C)CSc1cscn1 62a_100011216630_100000751502 [0,2,0,0,0,0|2,0,0]=4 9507 B12R1.51 CCCC(C)CSc1ncc[nH]1 62a_100011216630_100025796157 [0,2,0,0,0,0|2,0,0]=4 9508 B12R1.51 CCCC(C)CSc1ncc[nH]1 62a_100025796157_100011216630 [0,2,0,0,0,0|2,0,0]=4 9509 B12R1.51 CCCC(C)CSc1ncco1 62a_100011216630_100011787736 [0,2,0,0,0,0|1,0,0]=3 9510 B12R1.51 CCCC(C)CSc1ncco1 62a_100011787736_100011216630 [0,2,0,0,0,0|1,0,0]=3 9511 B12R1.51 CCCC(C)CSc1nccs1 62a_100000211983_100011216630 [0,2,0,0,0,0|1,1,0]=4 9512 B12R1.51 CCCC(C)CSc1nccs1 62a_100011216630_100000211983 [0,2,0,0,0,0|1,1,0]=4 9513 B12R1.51 CCCC(C)NCc1c[nH]cn1 2230a_100000741246_100000707719 [0,2,0,0,0,0|2,0,0]=4 9514 B12R1.51 CCCC(C)NCc1cc[nH]n1 207a_100000741246_100000738523 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.51 CCCC(C)NCc1cc[nH]n1 270004a_100000741246_100000738523 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.51 CCCC(C)NCc1ccco1 207a_100000741246_100000186105 [0,2,0,0,0,0|0,0,0]=2 9517 B12R1.51 CCCC(C)NCc1ccco1 2230a_100000185738_100000766640 [0,2,0,0,0,0|0,0,0]=2 9518 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000185738_100000211909 [0,2,0,0,0,0|0,0,0]=2 9519 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000741246_100000186105 [0,2,0,0,0,0|0,0,0]=2 9520 B12R1.51 CCCC(C)NCc1ccco1 34a_100000185738_100000766640 [0,2,0,0,0,0|0,0,0]=2 9521 B12R1.51 CCCC(C)NCc1cccs1 207a_100000741246_100000209959 [0,2,0,0,0,0|0,1,0]=3 9522 B12R1.51 CCCC(C)NCc1cccs1 2230a_100000211653_100000766640 [0,2,0,0,0,0|0,1,0]=3 9523 B12R1.51 CCCC(C)NCc1cccs1 270004a_100000211653_100000211909 [0,2,0,0,0,0|0,1,0]=3 9524 B12R1.51 CCCC(C)NCc1cccs1 270004a_100000741246_100000209959 [0,2,0,0,0,0|0,1,0]=3 9525 B12R1.51 CCCC(C)NCc1ccn[nH]1 2230a_100000741246_100000728653 [0,2,0,0,0,0|2,0,0]=4 9526 B12R1.51 CCCC(C)NCc1ccoc1 207a_100000741246_100011215517 [0,2,0,0,0,0|2,0,0]=4 9527 B12R1.51 CCCC(C)NCc1ccoc1 2230a_100015206860_100000766640 [0,2,0,0,0,0|2,0,0]=4 9528 B12R1.51 CCCC(C)NCc1ccoc1 270004a_100000741246_100011215517 [0,2,0,0,0,0|2,0,0]=4 9529 B12R1.51 CCCC(C)NCc1ccoc1 270004a_100015206860_100000211909 [0,2,0,0,0,0|2,0,0]=4 9530 B12R1.51 CCCC(C)NCc1ccoc1 34a_100015206860_100000766640 [0,2,0,0,0,0|2,0,0]=4 9531 B12R1.51 CCCC(C)NCc1ccon1 2230a_100000741246_100000234950 [0,2,0,0,0,0|2,0,0]=4 9532 B12R1.51 CCCC(C)NCc1ccon1 270004a_100000688301_100000211909 [0,2,0,0,0,0|2,0,0]=4 9533 B12R1.51 CCCC(C)NCc1ccsc1 207a_100000741246_100000188534 [0,2,0,0,0,0|2,0,0]=4 9534 B12R1.51 CCCC(C)NCc1ccsc1 2230a_100000186416_100000766640 [0,2,0,0,0,0|2,0,0]=4 9535 B12R1.51 CCCC(C)NCc1ccsc1 2230a_100000741246_100011261437 [0,2,0,0,0,0|2,0,0]=4 9536 B12R1.51 CCCC(C)NCc1ccsc1 270004a_100000186416_100000211909 [0,2,0,0,0,0|2,0,0]=4 9537 B12R1.51 CCCC(C)NCc1ccsc1 270004a_100000741246_100000188534 [0,2,0,0,0,0|2,0,0]=4 9538 B12R1.51 CCCC(C)NCc1ccsc1 34a_100000186416_100000766640 [0,2,0,0,0,0|2,0,0]=4 9539 B12R1.51 CCCC(C)NCc1cnc[nH]1 207a_100000741246_100000742939 [0,2,0,0,0,0|2,0,0]=4 9540 B12R1.51 CCCC(C)NCc1cnco1 270004a_100000741246_100000064291 [0,2,0,0,0,0|1,0,0]=3 9541 B12R1.51 CCCC(C)NCc1cnco1 270004a_100020634212_100000211909 [0,2,0,0,0,0|1,0,0]=3 9542 B12R1.51 CCCC(C)NCc1cncs1 207a_100000741246_100000749870 [0,2,0,0,0,0|1,1,0]=4 9543 B12R1.51 CCCC(C)NCc1cncs1 2230a_100000741246_100015185245 [0,2,0,0,0,0|1,1,0]=4 9544 B12R1.51 CCCC(C)NCc1cncs1 2230a_100016987365_100000766640 [0,2,0,0,0,0|1,1,0]=4 9545 B12R1.51 CCCC(C)NCc1cncs1 270004a_100000741246_100000749870 [0,2,0,0,0,0|1,1,0]=4 9546 B12R1.51 CCCC(C)NCc1cncs1 270004a_100016987365_100000211909 [0,2,0,0,0,0|1,1,0]=4 9547 B12R1.51 CCCC(C)NCc1cocn1 270004a_100000741246_100000050382 [0,2,0,0,0,0|2,0,0]=4 9548 B12R1.51 CCCC(C)NCc1cocn1 270004a_100015188801_100000211909 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.51 CCCC(C)NCc1cscn1 207a_100000741246_100000743575 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.51 CCCC(C)NCc1cscn1 2230a_100000741246_100000205941 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.51 CCCC(C)NCc1cscn1 2230a_100015185402_100000766640 [0,2,0,0,0,0|2,0,0]=4 9552 B12R1.51 CCCC(C)NCc1cscn1 270004a_100000741246_100000743575 [0,2,0,0,0,0|2,0,0]=4 9553 B12R1.51 CCCC(C)NCc1ncc[nH]1 207a_100000741246_100000743867 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.51 CCCC(C)NCc1ncc[nH]1 2230a_100000741246_100016991755 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.51 CCCC(C)NCc1ncc[nH]1 270004a_100000754540_100000211909 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.51 CCCC(C)NCc1ncco1 2230a_100000741246_103436540062 [0,2,0,0,0,0|1,0,0]=3 9557 B12R1.51 CCCC(C)NCc1ncco1 2230a_100016994969_100000766640 [0,2,0,0,0,0|1,0,0]=3 9558 B12R1.51 CCCC(C)NCc1ncco1 270004a_100000741246_100000064290 [0,2,0,0,0,0|1,0,0]=3 9559 B12R1.51 CCCC(C)NCc1nccs1 207a_100000741246_100000750902 [0,2,0,0,0,0|1,1,0]=4 9560 B12R1.51 CCCC(C)NCc1nccs1 2230a_100000740555_100000766640 [0,2,0,0,0,0|1,1,0]=4 9561 B12R1.51 CCCC(C)NCc1nccs1 2230a_100000741246_100015184050 [0,2,0,0,0,0|1,1,0]=4 9562 B12R1.51 CCCC(C)NCc1nccs1 270004a_100000740555_100000211909 [0,2,0,0,0,0|1,1,0]=4 9563 B12R1.51 CCCC(C)NCc1nccs1 270004a_100000741246_100000750902 [0,2,0,0,0,0|1,1,0]=4 9564 B12R1.51 CCCC(C)OCc1c[nH]cn1 34a_100000764384_100000707719 [0,2,0,0,0,0|2,0,0]=4 9565 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [0,2,0,0,0,0|0,0,0]=2 9566 B12R1.51 CCCC(C)OCc1cccs1 34a_100000211240_100000766640 [0,2,0,0,0,0|0,1,0]=3 9567 B12R1.51 CCCC(C)OCc1ccn[nH]1 34a_100000764384_100000728653 [0,2,0,0,0,0|2,0,0]=4 9568 B12R1.51 CCCC(C)OCc1ccn[nH]1 7a_100000764384_100000728653 [0,2,0,0,0,0|2,0,0]=4 9569 B12R1.51 CCCC(C)OCc1ccno1 34a_100000740478_100000766640 [0,2,0,0,0,0|1,0,0]=3 9570 B12R1.51 CCCC(C)OCc1ccoc1 34a_100011215357_100000766640 [0,2,0,0,0,0|2,0,0]=4 9571 B12R1.51 CCCC(C)OCc1ccon1 34a_100000764384_100000234950 [0,2,0,0,0,0|2,0,0]=4 9572 B12R1.51 CCCC(C)OCc1ccon1 7a_100000764384_100000234950 [0,2,0,0,0,0|2,0,0]=4 9573 B12R1.51 CCCC(C)OCc1ccsc1 34a_100000764384_100011261437 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.51 CCCC(C)OCc1ccsc1 34a_100011215551_100000766640 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.51 CCCC(C)OCc1ccsc1 7a_100000764384_100011261437 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.51 CCCC(C)OCc1cncs1 34a_100000764384_100015185245 [0,2,0,0,0,0|1,1,0]=4 9577 B12R1.51 CCCC(C)OCc1cncs1 7a_100000764384_100015185245 [0,2,0,0,0,0|1,1,0]=4 9578 B12R1.51 CCCC(C)OCc1cscn1 34a_100000764384_100000205941 [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.51 CCCC(C)OCc1cscn1 7a_100000764384_100000205941 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.51 CCCC(C)OCc1ncc[nH]1 34a_100000764384_100016991755 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.51 CCCC(C)OCc1ncc[nH]1 7a_100000764384_100000753453 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.51 CCCC(C)OCc1ncco1 34a_100000062594_100000766640 [0,2,0,0,0,0|1,0,0]=3 9583 B12R1.51 CCCC(C)OCc1ncco1 34a_100000764384_103436540062 [0,2,0,0,0,0|1,0,0]=3 9584 B12R1.51 CCCC(C)OCc1ncco1 7a_100000764384_103436540062 [0,2,0,0,0,0|1,0,0]=3 9585 B12R1.51 CCCC(C)OCc1nccs1 34a_100000764384_100015184050 [0,2,0,0,0,0|1,1,0]=4 9586 B12R1.51 CCCC(C)OCc1nccs1 7a_100000764384_100015184050 [0,2,0,0,0,0|1,1,0]=4 9587 B12R1.51 CCCC(C)OCn1cccn1 34a_100000731028_100000766640 [0,2,0,0,0,0|2,0,0]=4 9588 B12R1.51 CCCC(C)SCc1c[nH]cn1 62a_100000707719_100000766640 [0,2,0,0,0,0|2,0,0]=4 9589 B12R1.51 CCCC(C)SCc1c[nH]cn1 62a_100000766640_100000707719 [0,2,0,0,0,0|2,0,0]=4 9590 B12R1.51 CCCC(C)SCc1ccn[nH]1 62a_100000728653_100000766640 [0,2,0,0,0,0|2,0,0]=4 9591 B12R1.51 CCCC(C)SCc1ccn[nH]1 62a_100000766640_100000728653 [0,2,0,0,0,0|2,0,0]=4 9592 B12R1.51 CCCC(C)SCc1ccon1 62a_100000234950_100000766640 [0,2,0,0,0,0|2,0,0]=4 9593 B12R1.51 CCCC(C)SCc1ccon1 62a_100000766640_100000234950 [0,2,0,0,0,0|2,0,0]=4 9594 B12R1.51 CCCC(C)SCc1ccsc1 62a_100000766640_100011233845 [0,2,0,0,0,0|2,0,0]=4 9595 B12R1.51 CCCC(C)SCc1ccsc1 62a_100011261437_100000766640 [0,2,0,0,0,0|2,0,0]=4 9596 B12R1.51 CCCC(C)SCc1cncs1 62a_100000766640_100015185245 [0,2,0,0,0,0|1,1,0]=4 9597 B12R1.51 CCCC(C)SCc1cncs1 62a_100015185245_100000766640 [0,2,0,0,0,0|1,1,0]=4 9598 B12R1.51 CCCC(C)SCc1cscn1 62a_100000205941_100000766640 [0,2,0,0,0,0|2,0,0]=4 9599 B12R1.51 CCCC(C)SCc1cscn1 62a_100000766640_100000205941 [0,2,0,0,0,0|2,0,0]=4 9600 B12R1.51 CCCC(C)SCc1ncc[nH]1 62a_100000766640_100016991755 [0,2,0,0,0,0|2,0,0]=4 9601 B12R1.51 CCCC(C)SCc1ncc[nH]1 62a_100016991755_100000766640 [0,2,0,0,0,0|2,0,0]=4 9602 B12R1.51 CCCC(C)SCc1ncco1 62a_100000766640_103436540062 [0,2,0,0,0,0|1,0,0]=3 9603 B12R1.51 CCCC(C)SCc1ncco1 62a_103436540062_100000766640 [0,2,0,0,0,0|1,0,0]=3 9604 B12R1.51 CCCC(C)SCc1nccs1 62a_100000766640_100015184050 [0,2,0,0,0,0|1,1,0]=4 9605 B12R1.51 CCCC(C)SCc1nccs1 62a_100015184050_100000766640 [0,2,0,0,0,0|1,1,0]=4 9606 B12R1.51 CCCN(C)CCc1c[nH]cn1 2230a_100000747261_100020628418 [0,2,0,0,0,0|2,0,0]=4 9607 B12R1.51 CCCN(C)CCc1c[nH]cn1 269982a_100000747261_100020628418 [0,2,0,0,0,0|2,0,0]=4 9608 B12R1.51 CCCN(C)CCc1cccs1 2230a_100000747261_100000748579 [0,2,0,0,0,0|0,1,0]=3 9609 B12R1.51 CCCN(C)CCc1cccs1 2230a_200000702708_200000210301 [0,2,0,0,0,0|0,1,0]=3 9610 B12R1.51 CCCN(C)CCc1cccs1 269982a_100000747261_100000748579 [0,2,0,0,0,0|0,1,0]=3 9611 B12R1.51 CCCN(C)CCc1cccs1 269982a_200000702708_200000210301 [0,2,0,0,0,0|0,1,0]=3 9612 B12R1.51 CCCN(C)CCn1cccc1 2230a_100000747261_200009811947 [0,2,0,0,0,0|2,0,0]=4 9613 B12R1.51 CCCN(C)CCn1cccc1 269982a_100000747261_200000035178 [0,2,0,0,0,0|2,0,0]=4 9614 B12R1.51 CCCN(C)CCn1cccn1 2230a_100000747261_100000685285 [0,2,0,0,0,0|2,0,0]=4 9615 B12R1.51 CCCN(C)CCn1cccn1 269982a_100000747261_100000685285 [0,2,0,0,0,0|2,0,0]=4 9616 B12R1.51 CCCN([13CH3])CCc1cccs1 2230a_200000702708_200025704644 [0,2,0,0,0,0|0,1,0]=3 9617 B12R1.51 CCCN([13CH3])CCc1cccs1 269982a_200000702708_200025704644 [0,2,0,0,0,0|0,1,0]=3 9618 B12R1.51 CCNC(=O)CCc1ccc[nH]1 11a_100015525214_200011998680 [0,2,0,0,0,0|1,0,1]=4 9619 B12R1.51 CCNC(=O)CCc1ccc[nH]1 240690a_100015525214_200011998680 [0,2,0,0,0,0|1,0,1]=4 9620 B12R1.51 CCNC(=O)CCc1ccc[nH]1 527a_100015525214_200011998680 [0,2,0,0,0,0|1,0,1]=4 9621 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [0,2,0,0,0,0|0,0,1]=3 9622 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [0,2,0,0,0,0|0,0,1]=3 9623 B12R1.51 CCNC(=O)CCc1cccs1 11a_100015525214_100000185280 [0,2,0,0,0,0|0,1,1]=4 9624 B12R1.51 CCNC(=O)CCc1cccs1 240690a_100015525214_100000185280 [0,2,0,0,0,0|0,1,1]=4 9625 B12R1.51 CCNC(=O)CCc1cccs1 527a_100015525214_100000185280 [0,2,0,0,0,0|0,1,1]=4 9626 B12R1.51 CCNC(=O)CSc1ccco1 62a_100000183381_100009814098 [0,2,0,0,0,0|1,0,1]=4 9627 B12R1.51 CCNC(=O)CSc1ccco1 62a_100009814098_100000183381 [0,2,0,0,0,0|1,0,1]=4 9628 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100000185738_100015525214 [0,2,0,0,0,0|1,0,1]=4 9629 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100015525214_100000185738 [0,2,0,0,0,0|1,0,1]=4 9630 B12R1.51 CCNC(=O)NCc1ccco1 273464a_100000185738_100015525214 [0,2,0,0,0,0|1,0,1]=4 9631 B12R1.51 CCNC(=O)NCc1ccco1 512a_100000185738_100015525214 [0,2,0,0,0,0|1,0,1]=4 9632 B12R1.51 CCNC(=O)NCc1ccco1 512a_100015525214_100000185738 [0,2,0,0,0,0|1,0,1]=4 9633 B12R1.51 CCNC(C)CCc1ccco1 2230a_100000199034_100000210202 [0,2,0,0,0,0|0,0,0]=2 9634 B12R1.51 CCNC(C)CCc1ccco1 34a_100000199034_100000210202 [0,2,0,0,0,0|0,0,0]=2 9635 B12R1.51 CCNC(C)CCn1cccn1 270004a_100015525214_100000697638 [0,2,0,0,0,0|2,0,0]=4 9636 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,2,0,0,0,0|1,0,1]=4 9637 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,2,0,0,0,0|1,0,1]=4 9638 B12R1.51 CN(CCO)CCc1cccs1 2230a_100000210263_100000748579 [0,2,0,0,0,0|1,1,0]=4 9639 B12R1.51 CN(CCO)CCc1cccs1 269982a_100000210263_100000748579 [0,2,0,0,0,0|1,1,0]=4 9640 B12R1.51 CNCC(=O)NCc1ccco1 2230a_100000741066_200000210301 [0,2,0,0,0,0|1,0,1]=4 9641 B12R1.51 CNCC(=O)NCc1ccco1 2230a_106832991635_100000183421 [0,2,0,0,0,0|1,0,1]=4 9642 B12R1.51 CNCC(=O)NCc1ccco1 34a_100102657272_100000183421 [0,2,0,0,0,0|1,0,1]=4 9643 B12R1.51 CNCC(=O)NCc1ccco1 7a_106832991635_100000183421 [0,2,0,0,0,0|1,0,1]=4 9644 B12R1.51 CNNC(=O)CCc1ccco1 22a_100016993582_100000185103 [0,2,0,0,0,0|1,0,1]=4 9645 B12R1.51 COCC(=O)CCc1cccs1 1458a_100000210968_100000748579 [0,2,0,0,0,0|0,1,1]=4 9646 B12R1.51 COCC(=O)NCc1ccco1 11a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 9647 B12R1.51 COCC(=O)NCc1ccco1 1626a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 9648 B12R1.51 COCC(=O)NCc1ccco1 240690a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 9649 B12R1.51 COCC(=O)NCc1ccco1 34a_100138415774_100000183421 [0,2,0,0,0,0|1,0,1]=4 9650 B12R1.51 COCC(=O)NCc1ccco1 527a_100000185738_100000210968 [0,2,0,0,0,0|1,0,1]=4 9651 B12R1.51 COCC(C)NCc1ccco1 2230a_100000185738_100000765312 [0,2,0,0,0,0|1,0,0]=3 9652 B12R1.51 COCC(C)NCc1ccco1 270004a_100000185738_100000749346 [0,2,0,0,0,0|1,0,0]=3 9653 B12R1.51 COCC(C)NCc1ccco1 34a_100000185738_100000765312 [0,2,0,0,0,0|1,0,0]=3 9654 B12R1.51 COCC(C)NCc1cccs1 2230a_100000211653_100000765312 [0,2,0,0,0,0|1,1,0]=4 9655 B12R1.51 COCC(C)NCc1cccs1 270004a_100000211653_100000749346 [0,2,0,0,0,0|1,1,0]=4 9656 B12R1.51 COCC(C)NCc1cnco1 270004a_100020634212_100000749346 [0,2,0,0,0,0|2,0,0]=4 9657 B12R1.51 COCC(C)NCc1ncco1 2230a_100016994969_100000765312 [0,2,0,0,0,0|2,0,0]=4 9658 B12R1.51 COCC(C)OCc1ccco1 34a_100000210059_100000765312 [0,2,0,0,0,0|1,0,0]=3 9659 B12R1.51 COCC(C)OCc1cccs1 34a_100000211240_100000765312 [0,2,0,0,0,0|1,1,0]=4 9660 B12R1.51 COCC(C)OCc1ccno1 34a_100000740478_100000765312 [0,2,0,0,0,0|2,0,0]=4 9661 B12R1.51 COCC(C)OCc1ncco1 34a_100000062594_100000765312 [0,2,0,0,0,0|2,0,0]=4 9662 B12R1.51 COCC(C)SCc1ncco1 62a_100000765312_103436540062 [0,2,0,0,0,0|2,0,0]=4 9663 B12R1.51 COCC(C)SCc1ncco1 62a_103436540062_100000765312 [0,2,0,0,0,0|2,0,0]=4 9664 B12R1.51 COCC(O)CSc1ccco1 62a_100009814098_100011215053 [0,2,0,0,0,0|1,0,0]=3 9665 B12R1.51 COCC(O)CSc1ccco1 62a_100011215053_100009814098 [0,2,0,0,0,0|1,0,0]=3 9666 B12R1.51 COCC(O)CSc1cccs1 62a_100011215053_100011215356 [0,2,0,0,0,0|1,1,0]=4 9667 B12R1.51 COCC(O)CSc1cccs1 62a_100011215356_100011215053 [0,2,0,0,0,0|1,1,0]=4 9668 B12R1.51 COCC(O)CSc1cnco1 62a_100011215053_100020591547 [0,2,0,0,0,0|2,0,0]=4 9669 B12R1.51 COCC(O)CSc1cnco1 62a_100020591547_100011215053 [0,2,0,0,0,0|2,0,0]=4 9670 B12R1.51 COCC(O)CSc1ncco1 62a_100011215053_100011787736 [0,2,0,0,0,0|2,0,0]=4 9671 B12R1.51 COCC(O)CSc1ncco1 62a_100011787736_100011215053 [0,2,0,0,0,0|2,0,0]=4 9672 B12R1.51 COC[C@@H](C)NCc1ccco1 207a_100000764878_100000186105 [0,2,0,0,0,0|1,0,0]=3 9673 B12R1.51 COC[C@@H](C)NCc1ccco1 270004a_100000764878_100000186105 [0,2,0,0,0,0|1,0,0]=3 9674 B12R1.51 COC[C@@H](C)NCc1cccs1 207a_100000764878_100000209959 [0,2,0,0,0,0|1,1,0]=4 9675 B12R1.51 COC[C@@H](C)NCc1cccs1 270004a_100000764878_100000209959 [0,2,0,0,0,0|1,1,0]=4 9676 B12R1.51 COC[C@@H](C)NCc1cnco1 270004a_100000764878_100000064291 [0,2,0,0,0,0|2,0,0]=4 9677 B12R1.51 COC[C@@H](C)NCc1ncco1 2230a_100000764878_103436540062 [0,2,0,0,0,0|2,0,0]=4 9678 B12R1.51 COC[C@@H](C)NCc1ncco1 270004a_100000764878_100000064290 [0,2,0,0,0,0|2,0,0]=4 9679 B12R1.51 COC[C@@H](C)OCc1ncco1 34a_100011934205_103436540062 [0,2,0,0,0,0|2,0,0]=4 9680 B12R1.51 CSCC(=O)CCc1cccs1 1458a_100000184570_100000748579 [0,2,0,0,0,0|0,1,1]=4 9681 B12R1.51 CSCC(=O)NCc1ccco1 11a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 9682 B12R1.51 CSCC(=O)NCc1ccco1 1626a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 9683 B12R1.51 CSCC(=O)NCc1ccco1 240690a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 9684 B12R1.51 CSCC(=O)NCc1ccco1 527a_100000185738_100000184570 [0,2,0,0,0,0|1,0,1]=4 9685 B12R1.51 CSCC(=O)NCc1ccco1 62a_100000183421_200000210301 [0,2,0,0,0,0|1,0,1]=4 9686 B12R1.51 CSCC(=O)NCc1ccco1 62a_200000210301_100000183421 [0,2,0,0,0,0|1,0,1]=4 9687 B12R1.51 CSCC(C)NCc1ccco1 270004a_100000185738_100011216314 [0,2,0,0,0,0|1,0,0]=3 9688 B12R1.51 CSCC(C)NCc1cccs1 270004a_100000211653_100011216314 [0,2,0,0,0,0|1,1,0]=4 9689 B12R1.51 CSCC(C)NCc1cnco1 270004a_100020634212_100011216314 [0,2,0,0,0,0|2,0,0]=4 9690 B12R1.51 C[C@@H](CC#N)NCc1ccco1 207a_100016994482_100000186105 [0,2,0,0,0,0|1,0,1]=4 9691 B12R1.51 C[C@H](CCO)NCc1ccco1 207a_100000706166_100000186105 [0,2,0,0,0,0|1,0,0]=3 9692 B12R1.51 C[C@H](CCO)NCc1ccco1 270004a_100000706166_100000186105 [0,2,0,0,0,0|1,0,0]=3 9693 B12R1.51 C[C@H](CCO)NCc1cccs1 207a_100000706166_100000209959 [0,2,0,0,0,0|1,1,0]=4 9694 B12R1.51 C[C@H](CCO)NCc1cccs1 270004a_100000706166_100000209959 [0,2,0,0,0,0|1,1,0]=4 9695 B12R1.51 C[C@H](CCO)NCc1cnco1 270004a_100000706166_100000064291 [0,2,0,0,0,0|2,0,0]=4 9696 B12R1.51 C[C@H](CCO)NCc1ncco1 2230a_100000706166_103436540062 [0,2,0,0,0,0|2,0,0]=4 9697 B12R1.51 C[C@H](CCO)NCc1ncco1 270004a_100000706166_100000064290 [0,2,0,0,0,0|2,0,0]=4 9698 B12R1.51 C[C@H](CCO)NCc1ncco1 34a_100000706166_103436540062 [0,2,0,0,0,0|2,0,0]=4 9699 B12R1.51 N#CCC(=O)CCc1ccco1 1458a_100000185103_100011214920 [0,2,0,0,0,0|0,0,2]=4 9700 B12R1.51 N#CC[C@H](O)CSc1ccco1 62a_100000001066_100009814098 [0,2,0,0,0,0|1,0,1]=4 9701 B12R1.51 N#CC[C@H](O)CSc1ccco1 62a_100009814098_100000001066 [0,2,0,0,0,0|1,0,1]=4 9702 B12R1.51 O=C(CCF)CCc1ccc[nH]1 1458a_200011998680_100011217306 [0,2,0,0,0,0|1,0,1]=4 9703 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [0,2,0,0,0,0|0,0,1]=3 9704 B12R1.51 O=C(CCF)CCc1cccs1 1458a_100000185280_100011217306 [0,2,0,0,0,0|0,1,1]=4 9705 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,2,0,0,0,0|1,0,1]=4 9706 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,2,0,0,0,0|0,0,1]=3 9707 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,2,0,0,0,0|0,1,1]=4 9708 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,2,0,0,0,0|0,1,1]=4 9709 B12R1.51 O=C(CCO)NCc1ccco1 240690a_100000185738_100011216618 [0,2,0,0,0,0|1,0,1]=4 9710 B12R1.51 [13CH3]NCC(=O)NCc1ccco1 2230a_100000741066_200025704644 [0,2,0,0,0,0|1,0,1]=4 9711 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_100000183421_200025704644 [0,2,0,0,0,0|1,0,1]=4 9712 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_200025704644_100000183421 [0,2,0,0,0,0|1,0,1]=4 9713 B12R1.53 C#CCCC(=O)Cc1ccco1 1458a_100011217309_100000753159 [0,2,0,0,0,0|0,0,2]=4 9714 B12R1.53 C#CCCN(C)Cc1ccco1 2230a_100000185268_100000688953 [0,2,0,0,0,0|0,0,2]=4 9715 B12R1.53 C#CCCN(C)Cc1ccco1 269982a_100000185268_100000730999 [0,2,0,0,0,0|0,0,2]=4 9716 B12R1.53 C#CCOC(C)Cc1ccco1 34a_100011803939_100000184674 [0,2,0,0,0,0|0,0,2]=4 9717 B12R1.53 C#CCOC(C)Cc1ccco1 7a_100011803939_100000038162 [0,2,0,0,0,0|0,0,2]=4 9718 B12R1.53 C/C=C/CC(=O)Cc1ccco1 1458a_100011217309_100102629194 [0,2,0,0,0,0|0,0,2]=4 9719 B12R1.53 C/C=C/CN(C)Cc1ccco1 269982a_100000185268_100102629194 [0,2,0,0,0,0|0,0,2]=4 9720 B12R1.53 C=CCCC(=O)Cc1ccco1 1458a_100011217309_100000754431 [0,2,0,0,0,0|0,0,2]=4 9721 B12R1.53 C=CCCN(C)Cc1ccco1 2230a_100000185268_100000754431 [0,2,0,0,0,0|0,0,2]=4 9722 B12R1.53 C=CCCN(C)Cc1ccco1 269982a_100000185268_100000754431 [0,2,0,0,0,0|0,0,2]=4 9723 B12R1.53 C=CCCN(C)Cc1ccco1 270004a_100020639649_100000186105 [0,2,0,0,0,0|0,0,2]=4 9724 B12R1.53 C=CCNC(C)Cc1ccco1 270004a_100020586998_100011216958 [0,2,0,0,0,0|0,0,2]=4 9725 B12R1.53 C=CCOC(C)Cc1ccco1 34a_100011803939_100015514636 [0,2,0,0,0,0|0,0,2]=4 9726 B12R1.53 C=CCOC(C)Cc1ccco1 7a_100011803939_100015514636 [0,2,0,0,0,0|0,0,2]=4 9727 B12R1.53 CC#CCC(=O)Cc1ccco1 1458a_100011217309_100000748600 [0,2,0,0,0,0|0,0,2]=4 9728 B12R1.53 CC#CCN(C)Cc1ccco1 2230a_100000185268_100000748600 [0,2,0,0,0,0|0,0,2]=4 9729 B12R1.53 CC#CCN(C)Cc1ccco1 2230a_100015183964_200000210301 [0,2,0,0,0,0|0,0,2]=4 9730 B12R1.53 CC#CCN(C)Cc1ccco1 34a_100015183964_200000210301 [0,2,0,0,0,0|0,0,2]=4 9731 B12R1.53 CC#CCN([13CH3])Cc1ccco1 2230a_100015183964_200025704644 [0,2,0,0,0,0|0,0,2]=4 9732 B12R1.53 CC#CCN([13CH3])Cc1ccco1 34a_100015183964_200025704644 [0,2,0,0,0,0|0,0,2]=4 9733 B12R1.53 CC(Cc1ccco1)NCCO 270004a_100000210304_100011216958 [0,2,0,0,0,0|1,0,0]=3 9734 B12R1.53 CC(Cc1ccco1)OCC#N 7a_100011803939_100011215382 [0,2,0,0,0,0|1,0,1]=4 9735 B12R1.53 CC(Cc1ccco1)OCC=O 34a_100011803939_200009817547 [0,2,0,0,0,0|1,0,1]=4 9736 B12R1.53 CC(Cc1ccco1)OCC=O 7a_100011803939_200015260668 [0,2,0,0,0,0|1,0,1]=4 9737 B12R1.53 CC(Cc1ccco1)OCCF 34a_100011803939_100011217306 [0,2,0,0,0,0|1,0,0]=3 9738 B12R1.53 CC(Cc1ccco1)OCCF 7a_100011803939_100011217306 [0,2,0,0,0,0|1,0,0]=3 9739 B12R1.53 CC(Cc1ccco1)OCCO 34a_100011803939_100000211926 [0,2,0,0,0,0|1,0,0]=3 9740 B12R1.53 CC(Cc1ccco1)OCCO 7a_100011803939_100000211926 [0,2,0,0,0,0|1,0,0]=3 9741 B12R1.53 CC(Cc1cccs1)NCCF 2230a_100000751415_100011217306 [0,2,0,0,0,0|1,1,0]=4 9742 B12R1.53 CC(Cc1cccs1)NCCO 2230a_100000751415_100000211926 [0,2,0,0,0,0|1,1,0]=4 9743 B12R1.53 CC=CCC(=O)Cc1ccco1 1458a_100011217309_100000070051 [0,2,0,0,0,0|0,0,2]=4 9744 B12R1.53 CC=CCN(C)Cc1ccco1 2230a_100000185268_100000070051 [0,2,0,0,0,0|0,0,2]=4 9745 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [0,2,0,0,0,0|0,0,1]=3 9746 B12R1.53 CCCCC(=Cc1cccs1)Br 271570a_206741709834_100011215356 [0,2,0,0,0,0|0,1,1]=4 9747 B12R1.53 CCCCC(=Cc1cnco1)Br 271570a_206741709834_100020591547 [0,2,0,0,0,0|1,0,1]=4 9748 B12R1.53 CCCCC(=Cc1ncco1)Br 271570a_206741709834_100011787736 [0,2,0,0,0,0|1,0,1]=4 9749 B12R1.53 CCCCC(=O)Cc1c[nH]cn1 1458a_100000210183_100000707719 [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.53 CCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210211 [0,2,0,0,0,0|2,0,0]=4 9751 B12R1.53 CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210211 [0,2,0,0,0,0|1,0,0]=3 9752 B12R1.53 CCCCC(=O)Cc1ccco1 1458a_100011217309_100000210211 [0,2,0,0,0,0|0,0,0]=2 9753 B12R1.53 CCCCC(=O)Cc1cccs1 1458a_100000210189_100000210211 [0,2,0,0,0,0|0,1,0]=3 9754 B12R1.53 CCCCC(=O)Cc1ccn[nH]1 1458a_100000210183_100000728653 [0,2,0,0,0,0|2,0,0]=4 9755 B12R1.53 CCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210211 [0,2,0,0,0,0|2,0,0]=4 9756 B12R1.53 CCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210211 [0,2,0,0,0,0|2,0,0]=4 9757 B12R1.53 CCCCC(=O)Cc1ccon1 1458a_100000210183_100000234950 [0,2,0,0,0,0|2,0,0]=4 9758 B12R1.53 CCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210211 [0,2,0,0,0,0|2,0,0]=4 9759 B12R1.53 CCCCC(=O)Cc1ccsc1 1458a_100000210183_100011233845 [0,2,0,0,0,0|2,0,0]=4 9760 B12R1.53 CCCCC(=O)Cc1cncs1 1458a_100000210183_100015185245 [0,2,0,0,0,0|1,1,0]=4 9761 B12R1.53 CCCCC(=O)Cc1cscn1 1458a_100000210183_100000205941 [0,2,0,0,0,0|2,0,0]=4 9762 B12R1.53 CCCCC(=O)Cc1cscn1 1458a_100011438297_100000210211 [0,2,0,0,0,0|2,0,0]=4 9763 B12R1.53 CCCCC(=O)Cc1ncco1 1458a_100000210183_103436540062 [0,2,0,0,0,0|1,0,0]=3 9764 B12R1.53 CCCCC(=O)Cc1nccs1 1458a_100000210183_100015184050 [0,2,0,0,0,0|1,1,0]=4 9765 B12R1.53 CCCCC(=O)Cn1cccc1 1458a_100011196272_100000210211 [0,2,0,0,0,0|2,0,0]=4 9766 B12R1.53 CCCCC(=O)Cn1cccn1 1458a_100000233772_100000210211 [0,2,0,0,0,0|2,0,0]=4 9767 B12R1.53 CCCCC(C)Oc1ccsc1 34a_100000106738_200011215066 [0,2,0,0,0,0|2,0,0]=4 9768 B12R1.53 CCCCC(C)Oc1ccsc1 7a_100000106738_200011215066 [0,2,0,0,0,0|2,0,0]=4 9769 B12R1.53 CCCCC(C)Sc1c[nH]cn1 62a_100000756875_200011215066 [0,2,0,0,0,0|2,0,0]=4 9770 B12R1.53 CCCCC(C)Sc1c[nH]cn1 62a_200011215066_100000756875 [0,2,0,0,0,0|2,0,0]=4 9771 B12R1.53 CCCCC(C)Sc1cc[nH]n1 62a_100000062575_200011215066 [0,2,0,0,0,0|2,0,0]=4 9772 B12R1.53 CCCCC(C)Sc1cc[nH]n1 62a_200011215066_100000062575 [0,2,0,0,0,0|2,0,0]=4 9773 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [0,2,0,0,0,0|0,0,0]=2 9774 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [0,2,0,0,0,0|0,0,0]=2 9775 B12R1.53 CCCCC(C)Sc1cccs1 62a_100011215356_200011215066 [0,2,0,0,0,0|0,1,0]=3 9776 B12R1.53 CCCCC(C)Sc1cccs1 62a_200011215066_100011215356 [0,2,0,0,0,0|0,1,0]=3 9777 B12R1.53 CCCCC(C)Sc1ccoc1 62a_100011215275_200011215066 [0,2,0,0,0,0|2,0,0]=4 9778 B12R1.53 CCCCC(C)Sc1ccoc1 62a_200011215066_100011215275 [0,2,0,0,0,0|2,0,0]=4 9779 B12R1.53 CCCCC(C)Sc1ccon1 62a_100009818083_200011215066 [0,2,0,0,0,0|2,0,0]=4 9780 B12R1.53 CCCCC(C)Sc1ccon1 62a_200011215066_100009818083 [0,2,0,0,0,0|2,0,0]=4 9781 B12R1.53 CCCCC(C)Sc1ccsc1 62a_100000738268_200011215066 [0,2,0,0,0,0|2,0,0]=4 9782 B12R1.53 CCCCC(C)Sc1ccsc1 62a_200011215066_100000738268 [0,2,0,0,0,0|2,0,0]=4 9783 B12R1.53 CCCCC(C)Sc1ccsn1 62a_100009818082_200011215066 [0,2,0,0,0,0|2,0,0]=4 9784 B12R1.53 CCCCC(C)Sc1ccsn1 62a_200011215066_100009818082 [0,2,0,0,0,0|2,0,0]=4 9785 B12R1.53 CCCCC(C)Sc1cnco1 62a_100020591547_200011215066 [0,2,0,0,0,0|1,0,0]=3 9786 B12R1.53 CCCCC(C)Sc1cnco1 62a_200011215066_100020591547 [0,2,0,0,0,0|1,0,0]=3 9787 B12R1.53 CCCCC(C)Sc1cncs1 62a_100011934649_200011215066 [0,2,0,0,0,0|1,1,0]=4 9788 B12R1.53 CCCCC(C)Sc1cncs1 62a_200011215066_100011934649 [0,2,0,0,0,0|1,1,0]=4 9789 B12R1.53 CCCCC(C)Sc1cscn1 62a_100000751502_200011215066 [0,2,0,0,0,0|2,0,0]=4 9790 B12R1.53 CCCCC(C)Sc1cscn1 62a_200011215066_100000751502 [0,2,0,0,0,0|2,0,0]=4 9791 B12R1.53 CCCCC(C)Sc1ncc[nH]1 62a_100025796157_200011215066 [0,2,0,0,0,0|2,0,0]=4 9792 B12R1.53 CCCCC(C)Sc1ncc[nH]1 62a_200011215066_100025796157 [0,2,0,0,0,0|2,0,0]=4 9793 B12R1.53 CCCCC(C)Sc1ncco1 62a_100011787736_200011215066 [0,2,0,0,0,0|1,0,0]=3 9794 B12R1.53 CCCCC(C)Sc1ncco1 62a_200011215066_100011787736 [0,2,0,0,0,0|1,0,0]=3 9795 B12R1.53 CCCCC(C)Sc1nccs1 62a_100000211983_200011215066 [0,2,0,0,0,0|1,1,0]=4 9796 B12R1.53 CCCCC(C)Sc1nccs1 62a_200011215066_100000211983 [0,2,0,0,0,0|1,1,0]=4 9797 B12R1.53 CCCCN(C)Cc1c[nH]cn1 2230a_100000207549_100000707719 [0,2,0,0,0,0|2,0,0]=4 9798 B12R1.53 CCCCN(C)Cc1c[nH]cn1 269982a_100000207549_100000707719 [0,2,0,0,0,0|2,0,0]=4 9799 B12R1.53 CCCCN(C)Cc1cc[nH]n1 270004a_100000207549_100000738523 [0,2,0,0,0,0|2,0,0]=4 9800 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100000185268_100000210211 [0,2,0,0,0,0|0,0,0]=2 9801 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100015184542_200000210301 [0,2,0,0,0,0|0,0,0]=2 9802 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100000185268_100000210211 [0,2,0,0,0,0|0,0,0]=2 9803 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100015184542_200000210301 [0,2,0,0,0,0|0,0,0]=2 9804 B12R1.53 CCCCN(C)Cc1ccco1 270004a_100000207549_100000186105 [0,2,0,0,0,0|0,0,0]=2 9805 B12R1.53 CCCCN(C)Cc1cccs1 2230a_100000184426_100000210211 [0,2,0,0,0,0|0,1,0]=3 9806 B12R1.53 CCCCN(C)Cc1cccs1 2230a_200000200673_200000210301 [0,2,0,0,0,0|0,1,0]=3 9807 B12R1.53 CCCCN(C)Cc1cccs1 269982a_100000184426_100000210211 [0,2,0,0,0,0|0,1,0]=3 9808 B12R1.53 CCCCN(C)Cc1cccs1 269982a_200000200673_200000210301 [0,2,0,0,0,0|0,1,0]=3 9809 B12R1.53 CCCCN(C)Cc1cccs1 270004a_100000207549_100000209959 [0,2,0,0,0,0|0,1,0]=3 9810 B12R1.53 CCCCN(C)Cc1ccn[nH]1 2230a_100000207549_100000728653 [0,2,0,0,0,0|2,0,0]=4 9811 B12R1.53 CCCCN(C)Cc1ccn[nH]1 269982a_100000207549_100000728653 [0,2,0,0,0,0|2,0,0]=4 9812 B12R1.53 CCCCN(C)Cc1ccoc1 270004a_100000207549_100011215517 [0,2,0,0,0,0|2,0,0]=4 9813 B12R1.53 CCCCN(C)Cc1ccon1 2230a_100000207549_100000234950 [0,2,0,0,0,0|2,0,0]=4 9814 B12R1.53 CCCCN(C)Cc1ccon1 2230a_100000757864_100000210211 [0,2,0,0,0,0|2,0,0]=4 9815 B12R1.53 CCCCN(C)Cc1ccon1 269982a_100000207549_100000234950 [0,2,0,0,0,0|2,0,0]=4 9816 B12R1.53 CCCCN(C)Cc1ccon1 269982a_100000757864_100000210211 [0,2,0,0,0,0|2,0,0]=4 9817 B12R1.53 CCCCN(C)Cc1ccsc1 2230a_100000207549_100011261437 [0,2,0,0,0,0|2,0,0]=4 9818 B12R1.53 CCCCN(C)Cc1ccsc1 2230a_100020654213_100000210211 [0,2,0,0,0,0|2,0,0]=4 9819 B12R1.53 CCCCN(C)Cc1ccsc1 2230a_200015183980_200000210301 [0,2,0,0,0,0|2,0,0]=4 9820 B12R1.53 CCCCN(C)Cc1ccsc1 269982a_100000207549_100011233845 [0,2,0,0,0,0|2,0,0]=4 9821 B12R1.53 CCCCN(C)Cc1ccsc1 269982a_100020654213_100000210211 [0,2,0,0,0,0|2,0,0]=4 9822 B12R1.53 CCCCN(C)Cc1ccsc1 269982a_200015183980_200000210301 [0,2,0,0,0,0|2,0,0]=4 9823 B12R1.53 CCCCN(C)Cc1ccsc1 270004a_100000207549_100000188534 [0,2,0,0,0,0|2,0,0]=4 9824 B12R1.53 CCCCN(C)Cc1cnco1 270004a_100000207549_100000064291 [0,2,0,0,0,0|1,0,0]=3 9825 B12R1.53 CCCCN(C)Cc1cncs1 2230a_100000207549_100015185245 [0,2,0,0,0,0|1,1,0]=4 9826 B12R1.53 CCCCN(C)Cc1cncs1 269982a_100000207549_100015185245 [0,2,0,0,0,0|1,1,0]=4 9827 B12R1.53 CCCCN(C)Cc1cncs1 270004a_100000207549_100000749870 [0,2,0,0,0,0|1,1,0]=4 9828 B12R1.53 CCCCN(C)Cc1cocn1 270004a_100000207549_100000050382 [0,2,0,0,0,0|2,0,0]=4 9829 B12R1.53 CCCCN(C)Cc1cscn1 2230a_100000207549_100000205941 [0,2,0,0,0,0|2,0,0]=4 9830 B12R1.53 CCCCN(C)Cc1cscn1 2230a_100000225794_100000210211 [0,2,0,0,0,0|2,0,0]=4 9831 B12R1.53 CCCCN(C)Cc1cscn1 269982a_100000207549_100000205941 [0,2,0,0,0,0|2,0,0]=4 9832 B12R1.53 CCCCN(C)Cc1cscn1 269982a_100000225794_100000210211 [0,2,0,0,0,0|2,0,0]=4 9833 B12R1.53 CCCCN(C)Cc1cscn1 270004a_100000207549_100000743575 [0,2,0,0,0,0|2,0,0]=4 9834 B12R1.53 CCCCN(C)Cc1ncc[nH]1 2230a_100000207549_100016991755 [0,2,0,0,0,0|2,0,0]=4 9835 B12R1.53 CCCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210211 [0,2,0,0,0,0|2,0,0]=4 9836 B12R1.53 CCCCN(C)Cc1ncc[nH]1 269982a_100000207549_100016991755 [0,2,0,0,0,0|2,0,0]=4 9837 B12R1.53 CCCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210211 [0,2,0,0,0,0|2,0,0]=4 9838 B12R1.53 CCCCN(C)Cc1ncco1 2230a_100000207549_103436540062 [0,2,0,0,0,0|1,0,0]=3 9839 B12R1.53 CCCCN(C)Cc1ncco1 269982a_100000207549_103436540062 [0,2,0,0,0,0|1,0,0]=3 9840 B12R1.53 CCCCN(C)Cc1ncco1 270004a_100000207549_100000064290 [0,2,0,0,0,0|1,0,0]=3 9841 B12R1.53 CCCCN(C)Cc1nccs1 2230a_100000207549_100015184050 [0,2,0,0,0,0|1,1,0]=4 9842 B12R1.53 CCCCN(C)Cc1nccs1 2230a_100000765864_100000210211 [0,2,0,0,0,0|1,1,0]=4 9843 B12R1.53 CCCCN(C)Cc1nccs1 269982a_100000207549_100015184050 [0,2,0,0,0,0|1,1,0]=4 9844 B12R1.53 CCCCN(C)Cc1nccs1 269982a_100000765864_100000210211 [0,2,0,0,0,0|1,1,0]=4 9845 B12R1.53 CCCCN(C)Cc1nccs1 270004a_100000207549_100000750902 [0,2,0,0,0,0|1,1,0]=4 9846 B12R1.53 CCCCN([13CH3])Cc1ccco1 2230a_100015184542_200025704644 [0,2,0,0,0,0|0,0,0]=2 9847 B12R1.53 CCCCN([13CH3])Cc1ccco1 269982a_100015184542_200025704644 [0,2,0,0,0,0|0,0,0]=2 9848 B12R1.53 CCCCN([13CH3])Cc1cccs1 2230a_200000200673_200025704644 [0,2,0,0,0,0|0,1,0]=3 9849 B12R1.53 CCCCN([13CH3])Cc1cccs1 269982a_200000200673_200025704644 [0,2,0,0,0,0|0,1,0]=3 9850 B12R1.53 CCCCN([13CH3])Cc1ccsc1 2230a_200015183980_200025704644 [0,2,0,0,0,0|2,0,0]=4 9851 B12R1.53 CCCCN([13CH3])Cc1ccsc1 269982a_200015183980_200025704644 [0,2,0,0,0,0|2,0,0]=4 9852 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 11a_100020643023_100000238377 [0,2,0,0,0,0|1,0,1]=4 9853 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 240690a_100020643023_100000238377 [0,2,0,0,0,0|1,0,1]=4 9854 B12R1.53 CCCNC(=O)Cc1ccc[nH]1 527a_100020643023_100000238377 [0,2,0,0,0,0|1,0,1]=4 9855 B12R1.53 CCCNC(=O)Cc1ccco1 11a_100020643023_100011217309 [0,2,0,0,0,0|0,0,1]=3 9856 B12R1.53 CCCNC(=O)Cc1ccco1 527a_100020643023_100011217309 [0,2,0,0,0,0|0,0,1]=3 9857 B12R1.53 CCCNC(=O)Cc1cccs1 11a_100020643023_100000210189 [0,2,0,0,0,0|0,1,1]=4 9858 B12R1.53 CCCNC(=O)Cc1cccs1 1626a_100020643023_100000210189 [0,2,0,0,0,0|0,1,1]=4 9859 B12R1.53 CCCNC(=O)Cc1cccs1 240690a_100020643023_100000210189 [0,2,0,0,0,0|0,1,1]=4 9860 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [0,2,0,0,0,0|0,0,0]=2 9861 B12R1.53 CCCNC(C)Cc1cccs1 2230a_100000751415_100000210303 [0,2,0,0,0,0|0,1,0]=3 9862 B12R1.53 CCCNC(C)Cc1ccsc1 2230a_100000743546_100000210303 [0,2,0,0,0,0|2,0,0]=4 9863 B12R1.53 CCCNC(C)Cc1ccsc1 34a_100000743546_100000210303 [0,2,0,0,0,0|2,0,0]=4 9864 B12R1.53 CCCNC(C)Cn1cccn1 2230a_100000738251_100000210303 [0,2,0,0,0,0|2,0,0]=4 9865 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [0,2,0,0,0,0|0,0,0]=2 9866 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [0,2,0,0,0,0|0,0,0]=2 9867 B12R1.53 CCNNC(=O)Cc1ccco1 22a_100000756455_100011217309 [0,2,0,0,0,0|1,0,1]=4 9868 B12R1.53 CCOCC(=O)Cc1ncco1 1458a_100000211967_103436540062 [0,2,0,0,0,0|1,0,1]=4 9869 B12R1.53 CCOCC(C)Cn1cccn1 34a_100011934653_100000210202 [0,2,0,0,0,0|2,0,0]=4 9870 B12R1.53 CCOCN(C)Cc1ccco1 269982a_100000185268_100000739092 [0,2,0,0,0,0|1,0,0]=3 9871 B12R1.53 CCOCN(C)Cc1cccs1 269982a_100000184426_100000739092 [0,2,0,0,0,0|1,1,0]=4 9872 B12R1.53 CCSCC(=O)Cc1ncco1 1458a_100000230394_103436540062 [0,2,0,0,0,0|1,0,1]=4 9873 B12R1.53 CN(CCC#N)Cc1ccco1 2230a_100000177371_200000210301 [0,2,0,0,0,0|1,0,1]=4 9874 B12R1.53 CN(CCC#N)Cc1ccco1 2230a_100000185268_100011215226 [0,2,0,0,0,0|1,0,1]=4 9875 B12R1.53 CN(CCC#N)Cc1ccco1 269982a_100000185268_100011215226 [0,2,0,0,0,0|1,0,1]=4 9876 B12R1.53 CN(CCC#N)Cc1ccco1 270004a_100000184479_100000186105 [0,2,0,0,0,0|1,0,1]=4 9877 B12R1.53 CN(CCCF)Cc1ccco1 2230a_100000185268_100011934791 [0,2,0,0,0,0|1,0,0]=3 9878 B12R1.53 CN(CCCF)Cc1ccco1 269982a_100000185268_100011934791 [0,2,0,0,0,0|1,0,0]=3 9879 B12R1.53 CN(CCCF)Cc1cccs1 2230a_100000184426_100011934791 [0,2,0,0,0,0|1,1,0]=4 9880 B12R1.53 CN(CCCF)Cc1cccs1 269982a_100000184426_100011934791 [0,2,0,0,0,0|1,1,0]=4 9881 B12R1.53 CN(CCCO)Cc1ccco1 2230a_100000185268_100000230001 [0,2,0,0,0,0|1,0,0]=3 9882 B12R1.53 CN(CCCO)Cc1ccco1 269982a_100000185268_100011215043 [0,2,0,0,0,0|1,0,0]=3 9883 B12R1.53 CN(CCCO)Cc1ccco1 270004a_100000213112_100000186105 [0,2,0,0,0,0|1,0,0]=3 9884 B12R1.53 CN(CCCO)Cc1cccs1 2230a_100000184426_100000230001 [0,2,0,0,0,0|1,1,0]=4 9885 B12R1.53 CN(CCCO)Cc1cccs1 2230a_100015187169_200000210301 [0,2,0,0,0,0|1,1,0]=4 9886 B12R1.53 CN(CCCO)Cc1cccs1 269982a_100000184426_100011215043 [0,2,0,0,0,0|1,1,0]=4 9887 B12R1.53 CN(CCCO)Cc1cccs1 269982a_100015187169_200000210301 [0,2,0,0,0,0|1,1,0]=4 9888 B12R1.53 CN(CCCO)Cc1cccs1 270004a_100000213112_100000209959 [0,2,0,0,0,0|1,1,0]=4 9889 B12R1.53 CN(CCCO)Cc1cnco1 270004a_100000213112_100000064291 [0,2,0,0,0,0|2,0,0]=4 9890 B12R1.53 CN(CCCO)Cc1ncco1 2230a_100000213112_103436540062 [0,2,0,0,0,0|2,0,0]=4 9891 B12R1.53 CN(CCCO)Cc1ncco1 269982a_100000213112_103436540062 [0,2,0,0,0,0|2,0,0]=4 9892 B12R1.53 CN(CCCO)Cc1ncco1 270004a_100000213112_100000064290 [0,2,0,0,0,0|2,0,0]=4 9893 B12R1.53 COCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000233755 [0,2,0,0,0,0|1,0,1]=4 9894 B12R1.53 COCCC(=O)Cc1ccco1 1458a_100011217309_100000233755 [0,2,0,0,0,0|0,0,1]=3 9895 B12R1.53 COCCC(=O)Cc1cccs1 1458a_100000210189_100000233755 [0,2,0,0,0,0|0,1,1]=4 9896 B12R1.53 COCCC(=O)Cc1ncco1 1458a_100000749529_103436540062 [0,2,0,0,0,0|1,0,1]=4 9897 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000185268_100011201679 [0,2,0,0,0,0|1,0,0]=3 9898 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000200132_200000210301 [0,2,0,0,0,0|1,0,0]=3 9899 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000185268_100000233755 [0,2,0,0,0,0|1,0,0]=3 9900 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000200132_200000210301 [0,2,0,0,0,0|1,0,0]=3 9901 B12R1.53 COCCN(C)Cc1ccco1 270004a_100000743101_100000186105 [0,2,0,0,0,0|1,0,0]=3 9902 B12R1.53 COCCN(C)Cc1cccs1 2230a_100000184426_100011201679 [0,2,0,0,0,0|1,1,0]=4 9903 B12R1.53 COCCN(C)Cc1cccs1 2230a_100000195474_200000210301 [0,2,0,0,0,0|1,1,0]=4 9904 B12R1.53 COCCN(C)Cc1cccs1 269982a_100000184426_100000233755 [0,2,0,0,0,0|1,1,0]=4 9905 B12R1.53 COCCN(C)Cc1cccs1 269982a_100000195474_200000210301 [0,2,0,0,0,0|1,1,0]=4 9906 B12R1.53 COCCN(C)Cc1cccs1 270004a_100000743101_100000209959 [0,2,0,0,0,0|1,1,0]=4 9907 B12R1.53 COCCN(C)Cc1cnco1 270004a_100000743101_100000064291 [0,2,0,0,0,0|2,0,0]=4 9908 B12R1.53 COCCN(C)Cc1ncco1 2230a_100000743101_103436540062 [0,2,0,0,0,0|2,0,0]=4 9909 B12R1.53 COCCN(C)Cc1ncco1 269982a_100000743101_103436540062 [0,2,0,0,0,0|2,0,0]=4 9910 B12R1.53 COCCN(C)Cc1ncco1 270004a_100000743101_100000064290 [0,2,0,0,0,0|2,0,0]=4 9911 B12R1.53 COCCN([13CH3])Cc1ccco1 2230a_100000200132_200025704644 [0,2,0,0,0,0|1,0,0]=3 9912 B12R1.53 COCCN([13CH3])Cc1ccco1 269982a_100000200132_200025704644 [0,2,0,0,0,0|1,0,0]=3 9913 B12R1.53 COCCN([13CH3])Cc1cccs1 2230a_100000195474_200025704644 [0,2,0,0,0,0|1,1,0]=4 9914 B12R1.53 COCCN([13CH3])Cc1cccs1 269982a_100000195474_200025704644 [0,2,0,0,0,0|1,1,0]=4 9915 B12R1.53 COCNC(C)Cc1cccs1 2230a_100000751415_100000766300 [0,2,0,0,0,0|1,1,0]=4 9916 B12R1.53 CSCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000751147 [0,2,0,0,0,0|1,0,1]=4 9917 B12R1.53 CSCCC(=O)Cc1ccco1 1458a_100011217309_100000751147 [0,2,0,0,0,0|0,0,1]=3 9918 B12R1.53 CSCCC(=O)Cc1cccs1 1458a_100000210189_100000751147 [0,2,0,0,0,0|0,1,1]=4 9919 B12R1.53 CSCCC(=O)Cc1ncco1 1458a_100000174002_103436540062 [0,2,0,0,0,0|1,0,1]=4 9920 B12R1.53 CSCCN(C)Cc1ccco1 2230a_100000185268_100000751147 [0,2,0,0,0,0|1,0,0]=3 9921 B12R1.53 CSCCN(C)Cc1ccco1 269982a_100000185268_100000212216 [0,2,0,0,0,0|1,0,0]=3 9922 B12R1.53 CSCCN(C)Cc1ccco1 270004a_100000686725_100000186105 [0,2,0,0,0,0|1,0,0]=3 9923 B12R1.53 CSCCN(C)Cc1cccs1 2230a_100000184426_100000751147 [0,2,0,0,0,0|1,1,0]=4 9924 B12R1.53 CSCCN(C)Cc1cccs1 269982a_100000184426_100000212216 [0,2,0,0,0,0|1,1,0]=4 9925 B12R1.53 CSCCN(C)Cc1cccs1 270004a_100000686725_100000209959 [0,2,0,0,0,0|1,1,0]=4 9926 B12R1.53 CSCCN(C)Cc1cnco1 270004a_100000686725_100000064291 [0,2,0,0,0,0|2,0,0]=4 9927 B12R1.53 CSCCN(C)Cc1ncco1 2230a_100000686725_103436540062 [0,2,0,0,0,0|2,0,0]=4 9928 B12R1.53 CSCCN(C)Cc1ncco1 269982a_100000686725_103436540062 [0,2,0,0,0,0|2,0,0]=4 9929 B12R1.53 CSCCN(C)Cc1ncco1 270004a_100000686725_100000064290 [0,2,0,0,0,0|2,0,0]=4 9930 B12R1.53 CSCNC(C)Cc1cccs1 2230a_100000751415_100011218213 [0,2,0,0,0,0|1,1,0]=4 9931 B12R1.53 CSCOC(C)Cc1ccco1 34a_100011803939_100011218213 [0,2,0,0,0,0|1,0,0]=3 9932 B12R1.53 N#CCCC(=O)Cc1ccco1 1458a_100011217309_100011215226 [0,2,0,0,0,0|0,0,2]=4 9933 B12R1.53 O=C(CCCF)Cc1ccc[nH]1 1458a_100000238377_100011934791 [0,2,0,0,0,0|1,0,1]=4 9934 B12R1.53 O=C(CCCF)Cc1ccco1 1458a_100011217309_100011934791 [0,2,0,0,0,0|0,0,1]=3 9935 B12R1.53 O=C(CCCF)Cc1cccs1 1458a_100000210189_100011934791 [0,2,0,0,0,0|0,1,1]=4 9936 B12R1.53 O=C(CCCO)Cc1ccc[nH]1 1458a_100000238377_100011215043 [0,2,0,0,0,0|1,0,1]=4 9937 B12R1.53 O=C(CCCO)Cc1ccco1 1458a_100011217309_100011215043 [0,2,0,0,0,0|0,0,1]=3 9938 B12R1.53 O=C(CCCO)Cc1cccs1 1458a_100000210189_100011215043 [0,2,0,0,0,0|0,1,1]=4 9939 B12R1.53 O=C(Cc1ccco1)NCCF 11a_100000724931_100011217309 [0,2,0,0,0,0|1,0,1]=4 9940 B12R1.53 O=C(Cc1ccco1)NCCF 527a_100000724931_100011217309 [0,2,0,0,0,0|1,0,1]=4 9941 B12R1.53 O=C(Cc1ccco1)NCCO 527a_100000210304_100011217309 [0,2,0,0,0,0|1,0,1]=4 9942 B12R1.53 [13CH3]N(CCC#N)Cc1ccco1 2230a_100000177371_200025704644 [0,2,0,0,0,0|1,0,1]=4 9943 B12R1.53 [13CH3]N(CCCO)Cc1cccs1 2230a_100015187169_200025704644 [0,2,0,0,0,0|1,1,0]=4 9944 B12R1.53 [13CH3]N(CCCO)Cc1cccs1 269982a_100015187169_200025704644 [0,2,0,0,0,0|1,1,0]=4 9945 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [0,2,0,0,0,0|0,0,1]=3 9946 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [0,2,0,0,0,0|0,0,1]=3 9947 B12R1.255 C=C(C)CCNCc1cccs1 2230a_100000211653_100000730704 [0,2,0,0,0,0|0,1,1]=4 9948 B12R1.255 C=C(C)CCNCc1ncco1 2230a_100016994969_100000730704 [0,2,0,0,0,0|1,0,1]=4 9949 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [0,2,0,0,0,0|0,0,1]=3 9950 B12R1.255 C=C(C)CCOCc1cccs1 34a_100000211240_100000730704 [0,2,0,0,0,0|0,1,1]=4 9951 B12R1.255 C=C(C)CCOCc1ccno1 34a_100000740478_100000730704 [0,2,0,0,0,0|1,0,1]=4 9952 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000062594_100000730704 [0,2,0,0,0,0|1,0,1]=4 9953 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000764851_103436540062 [0,2,0,0,0,0|1,0,1]=4 9954 B12R1.255 C=C(C)CCSCc1ncco1 62a_100000730704_103436540062 [0,2,0,0,0,0|1,0,1]=4 9955 B12R1.255 C=C(C)CCSCc1ncco1 62a_103436540062_100000730704 [0,2,0,0,0,0|1,0,1]=4 9956 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [0,2,0,0,0,0|0,0,1]=3 9957 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [0,2,0,0,0,0|0,0,1]=3 9958 B12R1.255 C=C(C)CNCCc1cccs1 2230a_100000203755_100000748629 [0,2,0,0,0,0|0,1,1]=4 9959 B12R1.255 C=C(C)CNCCc1cccs1 34a_100000203755_100000748629 [0,2,0,0,0,0|0,1,1]=4 9960 B12R1.255 C=C(C)COCCc1cccs1 34a_100000210245_100000748579 [0,2,0,0,0,0|0,1,1]=4 9961 B12R1.255 C=C(C)COCCc1cccs1 34a_100011216825_100000748629 [0,2,0,0,0,0|0,1,1]=4 9962 B12R1.255 C=C(C)COCCc1cccs1 7a_100011216825_100000748629 [0,2,0,0,0,0|0,1,1]=4 9963 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748579_100000211660 [0,2,0,0,0,0|0,1,1]=4 9964 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748629_100000748579 [0,2,0,0,0,0|0,1,1]=4 9965 B12R1.255 C=C(F)CNCCc1ccco1 2230a_100000694680_100009893438 [0,2,0,0,0,0|0,0,2]=4 9966 B12R1.255 C=C(F)CNCCc1ccco1 34a_100000694680_100009893438 [0,2,0,0,0,0|0,0,2]=4 9967 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,2,0,0,0,0|0,0,2]=4 9968 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,2,0,0,0,0|0,0,2]=4 9969 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,2,0,0,0,0|0,0,2]=4 9970 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,2,0,0,0,0|0,0,2]=4 9971 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,2,0,0,0,0|0,0,2]=4 9972 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,2,0,0,0,0|0,0,2]=4 9973 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [0,2,0,0,0,0|0,1,0]=3 9974 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,2,0,0,0,0|0,0,1]=3 9975 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,2,0,0,0,0|0,0,1]=3 9976 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [0,2,0,0,0,0|0,1,1]=4 9977 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [0,2,0,0,0,0|0,1,1]=4 9978 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [0,2,0,0,0,0|1,0,1]=4 9979 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [0,2,0,0,0,0|1,0,1]=4 9980 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [0,2,0,0,0,0|1,0,1]=4 9981 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [0,2,0,0,0,0|1,0,1]=4 9982 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [0,2,0,0,0,0|1,0,1]=4 9983 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [0,2,0,0,0,0|1,0,1]=4 9984 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [0,2,0,0,0,0|1,0,1]=4 9985 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [0,2,0,0,0,0|1,0,1]=4 9986 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [0,2,0,0,0,0|0,1,1]=4 9987 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,2,0,0,0,0|1,0,1]=4 9988 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,2,0,0,0,0|1,0,1]=4 9989 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,2,0,0,0,0|1,0,1]=4 9990 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,2,0,0,0,0|1,0,1]=4 9991 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,2,0,0,0,0|1,0,1]=4 9992 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,2,0,0,0,0|1,0,1]=4 9993 B12R1.255 CC(Br)CCOCc1c[nH]cn1 34a_100009893172_100000707719 [0,2,0,0,0,0|2,0,0]=4 9994 B12R1.255 CC(Br)CCOCc1ccn[nH]1 34a_100009893172_100000728653 [0,2,0,0,0,0|2,0,0]=4 9995 B12R1.255 CC(Br)CCOCc1ccon1 34a_100009893172_100000234950 [0,2,0,0,0,0|2,0,0]=4 9996 B12R1.255 CC(Br)CCOCc1ccsc1 34a_100009893172_100011261437 [0,2,0,0,0,0|2,0,0]=4 9997 B12R1.255 CC(Br)CCOCc1cncs1 34a_100009893172_100015185245 [0,2,0,0,0,0|1,1,0]=4 9998 B12R1.255 CC(Br)CCOCc1cscn1 34a_100009893172_100000205941 [0,2,0,0,0,0|2,0,0]=4 9999 B12R1.255 CC(Br)CCOCc1ncc[nH]1 34a_100009893172_100016991755 [0,2,0,0,0,0|2,0,0]=4 10000 B12R1.255 CC(Br)CCOCc1ncco1 34a_100009893172_103436540062 [0,2,0,0,0,0|1,0,0]=3 10001 B12R1.255 CC(Br)CCOCc1nccs1 34a_100009893172_100015184050 [0,2,0,0,0,0|1,1,0]=4 10002 B12R1.255 CC(Br)COCCc1cccs1 34a_100012180447_100000748579 [0,2,0,0,0,0|0,1,0]=3 10003 B12R1.255 CC(Br)COCCn1cccn1 34a_100012180447_100015204718 [0,2,0,0,0,0|2,0,0]=4 10004 B12R1.255 CC(C)CCCOc1ccsc1 34a_100000106738_100011214892 [0,2,0,0,0,0|2,0,0]=4 10005 B12R1.255 CC(C)CCCOc1ccsc1 7a_100000106738_100011214892 [0,2,0,0,0,0|2,0,0]=4 10006 B12R1.255 CC(C)CCCSc1c[nH]cn1 62a_100000756875_100011214892 [0,2,0,0,0,0|2,0,0]=4 10007 B12R1.255 CC(C)CCCSc1c[nH]cn1 62a_100011214892_100000756875 [0,2,0,0,0,0|2,0,0]=4 10008 B12R1.255 CC(C)CCCSc1cc[nH]n1 62a_100000062575_100011214892 [0,2,0,0,0,0|2,0,0]=4 10009 B12R1.255 CC(C)CCCSc1cc[nH]n1 62a_100011214892_100000062575 [0,2,0,0,0,0|2,0,0]=4 10010 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [0,2,0,0,0,0|0,0,0]=2 10011 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [0,2,0,0,0,0|0,0,0]=2 10012 B12R1.255 CC(C)CCCSc1cccs1 62a_100011214892_100011215356 [0,2,0,0,0,0|0,1,0]=3 10013 B12R1.255 CC(C)CCCSc1cccs1 62a_100011215356_100011214892 [0,2,0,0,0,0|0,1,0]=3 10014 B12R1.255 CC(C)CCCSc1ccoc1 62a_100011214892_100011215275 [0,2,0,0,0,0|2,0,0]=4 10015 B12R1.255 CC(C)CCCSc1ccoc1 62a_100011215275_100011214892 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.255 CC(C)CCCSc1ccon1 62a_100009818083_100011214892 [0,2,0,0,0,0|2,0,0]=4 10017 B12R1.255 CC(C)CCCSc1ccon1 62a_100011214892_100009818083 [0,2,0,0,0,0|2,0,0]=4 10018 B12R1.255 CC(C)CCCSc1ccsc1 62a_100000738268_100011214892 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.255 CC(C)CCCSc1ccsc1 62a_100011214892_100000738268 [0,2,0,0,0,0|2,0,0]=4 10020 B12R1.255 CC(C)CCCSc1ccsn1 62a_100009818082_100011214892 [0,2,0,0,0,0|2,0,0]=4 10021 B12R1.255 CC(C)CCCSc1ccsn1 62a_100011214892_100009818082 [0,2,0,0,0,0|2,0,0]=4 10022 B12R1.255 CC(C)CCCSc1cnco1 62a_100011214892_100020591547 [0,2,0,0,0,0|1,0,0]=3 10023 B12R1.255 CC(C)CCCSc1cnco1 62a_100020591547_100011214892 [0,2,0,0,0,0|1,0,0]=3 10024 B12R1.255 CC(C)CCCSc1cncs1 62a_100011214892_100011934649 [0,2,0,0,0,0|1,1,0]=4 10025 B12R1.255 CC(C)CCCSc1cncs1 62a_100011934649_100011214892 [0,2,0,0,0,0|1,1,0]=4 10026 B12R1.255 CC(C)CCCSc1cscn1 62a_100000751502_100011214892 [0,2,0,0,0,0|2,0,0]=4 10027 B12R1.255 CC(C)CCCSc1cscn1 62a_100011214892_100000751502 [0,2,0,0,0,0|2,0,0]=4 10028 B12R1.255 CC(C)CCCSc1ncc[nH]1 62a_100011214892_100025796157 [0,2,0,0,0,0|2,0,0]=4 10029 B12R1.255 CC(C)CCCSc1ncc[nH]1 62a_100025796157_100011214892 [0,2,0,0,0,0|2,0,0]=4 10030 B12R1.255 CC(C)CCCSc1ncco1 62a_100011214892_100011787736 [0,2,0,0,0,0|1,0,0]=3 10031 B12R1.255 CC(C)CCCSc1ncco1 62a_100011787736_100011214892 [0,2,0,0,0,0|1,0,0]=3 10032 B12R1.255 CC(C)CCCSc1nccs1 62a_100000211983_100011214892 [0,2,0,0,0,0|1,1,0]=4 10033 B12R1.255 CC(C)CCCSc1nccs1 62a_100011214892_100000211983 [0,2,0,0,0,0|1,1,0]=4 10034 B12R1.255 CC(C)CCNCc1cc[nH]n1 207a_100000210545_100000738523 [0,2,0,0,0,0|2,0,0]=4 10035 B12R1.255 CC(C)CCNCc1cc[nH]n1 269862a_100000739516_100000185833 [0,2,0,0,0,0|2,0,0]=4 10036 B12R1.255 CC(C)CCNCc1cc[nH]n1 270004a_100000210545_100000738523 [0,2,0,0,0,0|2,0,0]=4 10037 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [0,2,0,0,0,0|0,0,0]=2 10038 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [0,2,0,0,0,0|0,0,0]=2 10039 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [0,2,0,0,0,0|0,0,0]=2 10040 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [0,2,0,0,0,0|0,0,0]=2 10041 B12R1.255 CC(C)CCNCc1cccs1 207a_100000210545_100000209959 [0,2,0,0,0,0|0,1,0]=3 10042 B12R1.255 CC(C)CCNCc1cccs1 2230a_100000211653_100000210312 [0,2,0,0,0,0|0,1,0]=3 10043 B12R1.255 CC(C)CCNCc1cccs1 269862a_100000211653_100000185833 [0,2,0,0,0,0|0,1,0]=3 10044 B12R1.255 CC(C)CCNCc1cccs1 270004a_100000210545_100000209959 [0,2,0,0,0,0|0,1,0]=3 10045 B12R1.255 CC(C)CCNCc1ccoc1 207a_100000210545_100011215517 [0,2,0,0,0,0|2,0,0]=4 10046 B12R1.255 CC(C)CCNCc1ccoc1 2230a_100015206860_100000210312 [0,2,0,0,0,0|2,0,0]=4 10047 B12R1.255 CC(C)CCNCc1ccoc1 269862a_100015206860_100000185833 [0,2,0,0,0,0|2,0,0]=4 10048 B12R1.255 CC(C)CCNCc1ccoc1 270004a_100000210545_100011215517 [0,2,0,0,0,0|2,0,0]=4 10049 B12R1.255 CC(C)CCNCc1ccoc1 34a_100015206860_100000210312 [0,2,0,0,0,0|2,0,0]=4 10050 B12R1.255 CC(C)CCNCc1ccon1 269862a_100000688301_100000185833 [0,2,0,0,0,0|2,0,0]=4 10051 B12R1.255 CC(C)CCNCc1ccsc1 207a_100000210545_100000188534 [0,2,0,0,0,0|2,0,0]=4 10052 B12R1.255 CC(C)CCNCc1ccsc1 2230a_100000186416_100000210312 [0,2,0,0,0,0|2,0,0]=4 10053 B12R1.255 CC(C)CCNCc1ccsc1 269862a_100000186416_100000185833 [0,2,0,0,0,0|2,0,0]=4 10054 B12R1.255 CC(C)CCNCc1ccsc1 270004a_100000210545_100000188534 [0,2,0,0,0,0|2,0,0]=4 10055 B12R1.255 CC(C)CCNCc1ccsc1 34a_100000186416_100000210312 [0,2,0,0,0,0|2,0,0]=4 10056 B12R1.255 CC(C)CCNCc1cnc[nH]1 207a_100000210545_100000742939 [0,2,0,0,0,0|2,0,0]=4 10057 B12R1.255 CC(C)CCNCc1cnco1 269862a_100020634212_100000185833 [0,2,0,0,0,0|1,0,0]=3 10058 B12R1.255 CC(C)CCNCc1cnco1 270004a_100000210545_100000064291 [0,2,0,0,0,0|1,0,0]=3 10059 B12R1.255 CC(C)CCNCc1cncs1 207a_100000210545_100000749870 [0,2,0,0,0,0|1,1,0]=4 10060 B12R1.255 CC(C)CCNCc1cncs1 2230a_100016987365_100000210312 [0,2,0,0,0,0|1,1,0]=4 10061 B12R1.255 CC(C)CCNCc1cncs1 269862a_100016987365_100000185833 [0,2,0,0,0,0|1,1,0]=4 10062 B12R1.255 CC(C)CCNCc1cncs1 270004a_100000210545_100000749870 [0,2,0,0,0,0|1,1,0]=4 10063 B12R1.255 CC(C)CCNCc1cocn1 269862a_100015188801_100000185833 [0,2,0,0,0,0|2,0,0]=4 10064 B12R1.255 CC(C)CCNCc1cocn1 270004a_100000210545_100000050382 [0,2,0,0,0,0|2,0,0]=4 10065 B12R1.255 CC(C)CCNCc1cscn1 207a_100000210545_100000743575 [0,2,0,0,0,0|2,0,0]=4 10066 B12R1.255 CC(C)CCNCc1cscn1 2230a_100015185402_100000210312 [0,2,0,0,0,0|2,0,0]=4 10067 B12R1.255 CC(C)CCNCc1cscn1 269862a_100015185402_100000185833 [0,2,0,0,0,0|2,0,0]=4 10068 B12R1.255 CC(C)CCNCc1cscn1 270004a_100000210545_100000743575 [0,2,0,0,0,0|2,0,0]=4 10069 B12R1.255 CC(C)CCNCc1ncc[nH]1 207a_100000210545_100000743867 [0,2,0,0,0,0|2,0,0]=4 10070 B12R1.255 CC(C)CCNCc1ncco1 2230a_100016994969_100000210312 [0,2,0,0,0,0|1,0,0]=3 10071 B12R1.255 CC(C)CCNCc1ncco1 270004a_100000210545_100000064290 [0,2,0,0,0,0|1,0,0]=3 10072 B12R1.255 CC(C)CCNCc1nccs1 207a_100000210545_100000750902 [0,2,0,0,0,0|1,1,0]=4 10073 B12R1.255 CC(C)CCNCc1nccs1 2230a_100000740555_100000210312 [0,2,0,0,0,0|1,1,0]=4 10074 B12R1.255 CC(C)CCNCc1nccs1 269862a_100000740555_100000185833 [0,2,0,0,0,0|1,1,0]=4 10075 B12R1.255 CC(C)CCNCc1nccs1 270004a_100000210545_100000750902 [0,2,0,0,0,0|1,1,0]=4 10076 B12R1.255 CC(C)CCOCc1c[nH]cn1 34a_100000210254_100000707719 [0,2,0,0,0,0|2,0,0]=4 10077 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [0,2,0,0,0,0|0,0,0]=2 10078 B12R1.255 CC(C)CCOCc1cccs1 34a_100000211240_100000210312 [0,2,0,0,0,0|0,1,0]=3 10079 B12R1.255 CC(C)CCOCc1ccn[nH]1 34a_100000210254_100000728653 [0,2,0,0,0,0|2,0,0]=4 10080 B12R1.255 CC(C)CCOCc1ccn[nH]1 7a_100000210254_100000728653 [0,2,0,0,0,0|2,0,0]=4 10081 B12R1.255 CC(C)CCOCc1ccno1 34a_100000740478_100000210312 [0,2,0,0,0,0|1,0,0]=3 10082 B12R1.255 CC(C)CCOCc1ccoc1 34a_100011215357_100000210312 [0,2,0,0,0,0|2,0,0]=4 10083 B12R1.255 CC(C)CCOCc1ccon1 34a_100000210254_100000234950 [0,2,0,0,0,0|2,0,0]=4 10084 B12R1.255 CC(C)CCOCc1ccon1 7a_100000210254_100000234950 [0,2,0,0,0,0|2,0,0]=4 10085 B12R1.255 CC(C)CCOCc1ccsc1 34a_100000210254_100011261437 [0,2,0,0,0,0|2,0,0]=4 10086 B12R1.255 CC(C)CCOCc1ccsc1 34a_100011215551_100000210312 [0,2,0,0,0,0|2,0,0]=4 10087 B12R1.255 CC(C)CCOCc1ccsc1 7a_100000210254_100011261437 [0,2,0,0,0,0|2,0,0]=4 10088 B12R1.255 CC(C)CCOCc1cncs1 34a_100000210254_100015185245 [0,2,0,0,0,0|1,1,0]=4 10089 B12R1.255 CC(C)CCOCc1cncs1 7a_100000210254_100015185245 [0,2,0,0,0,0|1,1,0]=4 10090 B12R1.255 CC(C)CCOCc1cscn1 34a_100000210254_100000205941 [0,2,0,0,0,0|2,0,0]=4 10091 B12R1.255 CC(C)CCOCc1cscn1 7a_100000210254_100000205941 [0,2,0,0,0,0|2,0,0]=4 10092 B12R1.255 CC(C)CCOCc1ncc[nH]1 34a_100000210254_100016991755 [0,2,0,0,0,0|2,0,0]=4 10093 B12R1.255 CC(C)CCOCc1ncc[nH]1 7a_100000210254_100000753453 [0,2,0,0,0,0|2,0,0]=4 10094 B12R1.255 CC(C)CCOCc1ncco1 34a_100000062594_100000210312 [0,2,0,0,0,0|1,0,0]=3 10095 B12R1.255 CC(C)CCOCc1ncco1 34a_100000210254_103436540062 [0,2,0,0,0,0|1,0,0]=3 10096 B12R1.255 CC(C)CCOCc1ncco1 7a_100000210254_103436540062 [0,2,0,0,0,0|1,0,0]=3 10097 B12R1.255 CC(C)CCOCc1nccs1 34a_100000210254_100015184050 [0,2,0,0,0,0|1,1,0]=4 10098 B12R1.255 CC(C)CCOCc1nccs1 7a_100000210254_100015184050 [0,2,0,0,0,0|1,1,0]=4 10099 B12R1.255 CC(C)CCOCn1cccn1 34a_100000731028_100000210312 [0,2,0,0,0,0|2,0,0]=4 10100 B12R1.255 CC(C)CCSCc1c[nH]cn1 62a_100000210312_100000707719 [0,2,0,0,0,0|2,0,0]=4 10101 B12R1.255 CC(C)CCSCc1c[nH]cn1 62a_100000707719_100000210312 [0,2,0,0,0,0|2,0,0]=4 10102 B12R1.255 CC(C)CCSCc1ccn[nH]1 62a_100000210312_100000728653 [0,2,0,0,0,0|2,0,0]=4 10103 B12R1.255 CC(C)CCSCc1ccn[nH]1 62a_100000728653_100000210312 [0,2,0,0,0,0|2,0,0]=4 10104 B12R1.255 CC(C)CCSCc1ccon1 62a_100000210312_100000234950 [0,2,0,0,0,0|2,0,0]=4 10105 B12R1.255 CC(C)CCSCc1ccon1 62a_100000234950_100000210312 [0,2,0,0,0,0|2,0,0]=4 10106 B12R1.255 CC(C)CCSCc1ccsc1 62a_100000210312_100011233845 [0,2,0,0,0,0|2,0,0]=4 10107 B12R1.255 CC(C)CCSCc1ccsc1 62a_100011261437_100000210312 [0,2,0,0,0,0|2,0,0]=4 10108 B12R1.255 CC(C)CCSCc1cncs1 62a_100000210312_100015185245 [0,2,0,0,0,0|1,1,0]=4 10109 B12R1.255 CC(C)CCSCc1cncs1 62a_100015185245_100000210312 [0,2,0,0,0,0|1,1,0]=4 10110 B12R1.255 CC(C)CCSCc1cscn1 62a_100000205941_100000210312 [0,2,0,0,0,0|2,0,0]=4 10111 B12R1.255 CC(C)CCSCc1cscn1 62a_100000210312_100000205941 [0,2,0,0,0,0|2,0,0]=4 10112 B12R1.255 CC(C)CCSCc1ncc[nH]1 62a_100000210312_100016991755 [0,2,0,0,0,0|2,0,0]=4 10113 B12R1.255 CC(C)CCSCc1ncc[nH]1 62a_100016991755_100000210312 [0,2,0,0,0,0|2,0,0]=4 10114 B12R1.255 CC(C)CCSCc1ncco1 62a_100000210312_103436540062 [0,2,0,0,0,0|1,0,0]=3 10115 B12R1.255 CC(C)CCSCc1ncco1 62a_103436540062_100000210312 [0,2,0,0,0,0|1,0,0]=3 10116 B12R1.255 CC(C)CCSCc1nccs1 62a_100000210312_100015184050 [0,2,0,0,0,0|1,1,0]=4 10117 B12R1.255 CC(C)CCSCc1nccs1 62a_100015184050_100000210312 [0,2,0,0,0,0|1,1,0]=4 10118 B12R1.255 CC(C)CNCCc1c[nH]cn1 2230a_100000210953_100020628418 [0,2,0,0,0,0|2,0,0]=4 10119 B12R1.255 CC(C)CNCCc1c[nH]cn1 270004a_100000755092_100000210432 [0,2,0,0,0,0|2,0,0]=4 10120 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [0,2,0,0,0,0|0,0,0]=2 10121 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [0,2,0,0,0,0|0,0,0]=2 10122 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [0,2,0,0,0,0|0,0,0]=2 10123 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000203755_100000210760 [0,2,0,0,0,0|0,1,0]=3 10124 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000210953_100000748579 [0,2,0,0,0,0|0,1,0]=3 10125 B12R1.255 CC(C)CNCCc1cccs1 270004a_100000203755_100000210432 [0,2,0,0,0,0|0,1,0]=3 10126 B12R1.255 CC(C)CNCCc1cccs1 34a_100000203755_100000210624 [0,2,0,0,0,0|0,1,0]=3 10127 B12R1.255 CC(C)CNCCc1cccs1 34a_100000210953_100000748579 [0,2,0,0,0,0|0,1,0]=3 10128 B12R1.255 CC(C)CNCCc1ccsc1 2230a_100000692642_100000210760 [0,2,0,0,0,0|2,0,0]=4 10129 B12R1.255 CC(C)CNCCc1ccsc1 270004a_100000692642_100000210432 [0,2,0,0,0,0|2,0,0]=4 10130 B12R1.255 CC(C)CNCCc1ccsc1 34a_100000692642_100000210624 [0,2,0,0,0,0|2,0,0]=4 10131 B12R1.255 CC(C)CNCCc1cncs1 2230a_100016991637_100000210760 [0,2,0,0,0,0|1,1,0]=4 10132 B12R1.255 CC(C)CNCCc1cncs1 270004a_100016991637_100000210432 [0,2,0,0,0,0|1,1,0]=4 10133 B12R1.255 CC(C)CNCCc1ncc[nH]1 270004a_100000754300_100000210432 [0,2,0,0,0,0|2,0,0]=4 10134 B12R1.255 CC(C)CNCCc1nccs1 2230a_100015186391_100000210760 [0,2,0,0,0,0|1,1,0]=4 10135 B12R1.255 CC(C)CNCCc1nccs1 270004a_100015186391_100000210432 [0,2,0,0,0,0|1,1,0]=4 10136 B12R1.255 CC(C)CNCCn1cccc1 2230a_100000210953_200009811947 [0,2,0,0,0,0|2,0,0]=4 10137 B12R1.255 CC(C)CNCCn1cccc1 270004a_100011368172_100000210432 [0,2,0,0,0,0|2,0,0]=4 10138 B12R1.255 CC(C)CNCCn1cccc1 34a_100011368172_100000210624 [0,2,0,0,0,0|2,0,0]=4 10139 B12R1.255 CC(C)CNCCn1cccn1 2230a_100000210953_100000685285 [0,2,0,0,0,0|2,0,0]=4 10140 B12R1.255 CC(C)CNCCn1cccn1 2230a_100011200920_100000210760 [0,2,0,0,0,0|2,0,0]=4 10141 B12R1.255 CC(C)CNCCn1cccn1 270004a_100011200920_100000210432 [0,2,0,0,0,0|2,0,0]=4 10142 B12R1.255 CC(C)CNCCn1cccn1 34a_100000210953_100015204718 [0,2,0,0,0,0|2,0,0]=4 10143 B12R1.255 CC(C)COCCc1cccs1 34a_100000210257_100000748579 [0,2,0,0,0,0|0,1,0]=3 10144 B12R1.255 CC(C)COCCc1cccs1 34a_100011216825_100000210624 [0,2,0,0,0,0|0,1,0]=3 10145 B12R1.255 CC(C)COCCc1cccs1 7a_100011216825_100000210760 [0,2,0,0,0,0|0,1,0]=3 10146 B12R1.255 CC(C)COCCc1ccsc1 34a_100000748821_100000210624 [0,2,0,0,0,0|2,0,0]=4 10147 B12R1.255 CC(C)COCCc1ncc[nH]1 34a_103549771195_100000210624 [0,2,0,0,0,0|2,0,0]=4 10148 B12R1.255 CC(C)COCCn1cccc1 34a_100000179382_100000210624 [0,2,0,0,0,0|2,0,0]=4 10149 B12R1.255 CC(C)COCCn1cccn1 34a_100000210257_100015204718 [0,2,0,0,0,0|2,0,0]=4 10150 B12R1.255 CC(C)COCCn1cccn1 34a_100000743371_100000210624 [0,2,0,0,0,0|2,0,0]=4 10151 B12R1.255 CC(C)CSCCc1c[nH]cn1 62a_100000210624_100020628418 [0,2,0,0,0,0|2,0,0]=4 10152 B12R1.255 CC(C)CSCCc1c[nH]cn1 62a_100020628418_100000210760 [0,2,0,0,0,0|2,0,0]=4 10153 B12R1.255 CC(C)CSCCc1cccs1 62a_100000210624_100000748579 [0,2,0,0,0,0|0,1,0]=3 10154 B12R1.255 CC(C)CSCCc1cccs1 62a_100000748579_100000210760 [0,2,0,0,0,0|0,1,0]=3 10155 B12R1.255 CC(C)CSCCn1cccc1 62a_100000210624_200000035178 [0,2,0,0,0,0|2,0,0]=4 10156 B12R1.255 CC(C)CSCCn1cccc1 62a_200009811947_100000210760 [0,2,0,0,0,0|2,0,0]=4 10157 B12R1.255 CC(C)CSCCn1cccn1 62a_100000210624_100000685285 [0,2,0,0,0,0|2,0,0]=4 10158 B12R1.255 CC(C)CSCCn1cccn1 62a_100015204718_100000210760 [0,2,0,0,0,0|2,0,0]=4 10159 B12R1.255 CC(C)NCCCc1cccs1 2230a_100138425928_100010992444 [0,2,0,0,0,0|0,1,0]=3 10160 B12R1.255 CC(C)NCCCc1cccs1 34a_100138425928_100010992444 [0,2,0,0,0,0|0,1,0]=3 10161 B12R1.255 CC(C)NCCCn1cccc1 2230a_100138425928_200009814367 [0,2,0,0,0,0|2,0,0]=4 10162 B12R1.255 CC(C)NCCCn1cccc1 34a_100138425928_200009814367 [0,2,0,0,0,0|2,0,0]=4 10163 B12R1.255 CC(C)NCCCn1cccn1 2230a_100138425928_100000739983 [0,2,0,0,0,0|2,0,0]=4 10164 B12R1.255 CC(C)OCCCc1cccs1 34a_100000212225_100010992444 [0,2,0,0,0,0|0,1,0]=3 10165 B12R1.255 CC(C)OCCCc1cccs1 34a_100011713143_100000210206 [0,2,0,0,0,0|0,1,0]=3 10166 B12R1.255 CC(C)OCCCc1cccs1 7a_100011713143_100000210206 [0,2,0,0,0,0|0,1,0]=3 10167 B12R1.255 CC(C)OCCCc1ccsc1 34a_200000699776_100000210206 [0,2,0,0,0,0|2,0,0]=4 10168 B12R1.255 CC(C)OCCCc1ccsc1 7a_200000699776_100000210206 [0,2,0,0,0,0|2,0,0]=4 10169 B12R1.255 CC(C)OCCCn1cccc1 34a_100000179399_100000210206 [0,2,0,0,0,0|2,0,0]=4 10170 B12R1.255 CC(C)OCCCn1cccc1 34a_100000212225_200009814367 [0,2,0,0,0,0|2,0,0]=4 10171 B12R1.255 CC(C)OCCCn1cccc1 7a_100000179399_100000210206 [0,2,0,0,0,0|2,0,0]=4 10172 B12R1.255 CC(C)OCCCn1cccn1 34a_100000753614_100000210206 [0,2,0,0,0,0|2,0,0]=4 10173 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [0,2,0,0,0,0|1,0,0]=3 10174 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [0,2,0,0,0,0|1,0,0]=3 10175 B12R1.255 CC(C)OCCSc1cccs1 62a_100000211751_100011215356 [0,2,0,0,0,0|1,1,0]=4 10176 B12R1.255 CC(C)OCCSc1cccs1 62a_100011215356_100000211751 [0,2,0,0,0,0|1,1,0]=4 10177 B12R1.255 CC(C)OCCSc1cnco1 62a_100000211751_100020591547 [0,2,0,0,0,0|2,0,0]=4 10178 B12R1.255 CC(C)OCCSc1cnco1 62a_100020591547_100000211751 [0,2,0,0,0,0|2,0,0]=4 10179 B12R1.255 CC(C)OCCSc1ncco1 62a_100000211751_100011787736 [0,2,0,0,0,0|2,0,0]=4 10180 B12R1.255 CC(C)OCCSc1ncco1 62a_100011787736_100000211751 [0,2,0,0,0,0|2,0,0]=4 10181 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [0,2,0,0,0,0|1,0,0]=3 10182 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [0,2,0,0,0,0|1,0,0]=3 10183 B12R1.255 CC(C)OCNCc1cccs1 2230a_100000211653_100000709892 [0,2,0,0,0,0|1,1,0]=4 10184 B12R1.255 CC(C)OCNCc1ncco1 2230a_100016994969_100000709892 [0,2,0,0,0,0|2,0,0]=4 10185 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [0,2,0,0,0,0|1,0,0]=3 10186 B12R1.255 CC(C)OCOCc1cccs1 34a_100000211240_100000709892 [0,2,0,0,0,0|1,1,0]=4 10187 B12R1.255 CC(C)OCOCc1ccno1 34a_100000740478_100000709892 [0,2,0,0,0,0|2,0,0]=4 10188 B12R1.255 CC(C)OCOCc1ncco1 34a_100000062594_100000709892 [0,2,0,0,0,0|2,0,0]=4 10189 B12R1.255 CC(C)OCSCc1ncco1 62a_100000709892_103436540062 [0,2,0,0,0,0|2,0,0]=4 10190 B12R1.255 CC(C)OCSCc1ncco1 62a_103436540062_100000709892 [0,2,0,0,0,0|2,0,0]=4 10191 B12R1.255 CC(C)SCCCc1cccs1 62a_100000210206_100010992444 [0,2,0,0,0,0|0,1,0]=3 10192 B12R1.255 CC(C)SCCCc1cccs1 62a_100010992444_100000210206 [0,2,0,0,0,0|0,1,0]=3 10193 B12R1.255 CC(C)SCCCn1cccc1 62a_100000210206_200009814367 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.255 CC(C)SCCCn1cccc1 62a_200009814367_100000210206 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.255 CC(C)SCCCn1cccn1 62a_100000210206_100000739983 [0,2,0,0,0,0|2,0,0]=4 10196 B12R1.255 CC(C)SCCCn1cccn1 62a_100000739983_100000210206 [0,2,0,0,0,0|2,0,0]=4 10197 B12R1.255 CC(C)SCCSc1ccco1 62a_100000730970_100009814098 [0,2,0,0,0,0|1,0,0]=3 10198 B12R1.255 CC(C)SCCSc1ccco1 62a_100009814098_100000730970 [0,2,0,0,0,0|1,0,0]=3 10199 B12R1.255 CC(C)SCCSc1cccs1 62a_100000730970_100011215356 [0,2,0,0,0,0|1,1,0]=4 10200 B12R1.255 CC(C)SCCSc1cccs1 62a_100011215356_100000730970 [0,2,0,0,0,0|1,1,0]=4 10201 B12R1.255 CC(C)SCCSc1cnco1 62a_100000730970_100020591547 [0,2,0,0,0,0|2,0,0]=4 10202 B12R1.255 CC(C)SCCSc1cnco1 62a_100020591547_100000730970 [0,2,0,0,0,0|2,0,0]=4 10203 B12R1.255 CC(C)SCCSc1ncco1 62a_100000730970_100011787736 [0,2,0,0,0,0|2,0,0]=4 10204 B12R1.255 CC(C)SCCSc1ncco1 62a_100011787736_100000730970 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.255 CC(F)COCCc1cccs1 34a_100015925927_100000748579 [0,2,0,0,0,0|0,1,0]=3 10206 B12R1.255 CC(F)COCCn1cccn1 34a_100015925927_100015204718 [0,2,0,0,0,0|2,0,0]=4 10207 B12R1.255 CC(O)CCCOc1ccsc1 34a_100000106738_200000718107 [0,2,0,0,0,0|2,0,0]=4 10208 B12R1.255 CC(O)CCCOc1ccsc1 7a_100000106738_200000718107 [0,2,0,0,0,0|2,0,0]=4 10209 B12R1.255 CC(O)CCCSc1c[nH]cn1 62a_100000756875_200000718107 [0,2,0,0,0,0|2,0,0]=4 10210 B12R1.255 CC(O)CCCSc1c[nH]cn1 62a_200000718107_100000756875 [0,2,0,0,0,0|2,0,0]=4 10211 B12R1.255 CC(O)CCCSc1cc[nH]n1 62a_100000062575_200000718107 [0,2,0,0,0,0|2,0,0]=4 10212 B12R1.255 CC(O)CCCSc1cc[nH]n1 62a_200000718107_100000062575 [0,2,0,0,0,0|2,0,0]=4 10213 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,2,0,0,0,0|0,0,0]=2 10214 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,2,0,0,0,0|0,0,0]=2 10215 B12R1.255 CC(O)CCCSc1cccs1 62a_100011215356_200000718107 [0,2,0,0,0,0|0,1,0]=3 10216 B12R1.255 CC(O)CCCSc1cccs1 62a_200000718107_100011215356 [0,2,0,0,0,0|0,1,0]=3 10217 B12R1.255 CC(O)CCCSc1ccoc1 62a_100011215275_200000718107 [0,2,0,0,0,0|2,0,0]=4 10218 B12R1.255 CC(O)CCCSc1ccoc1 62a_200000718107_100011215275 [0,2,0,0,0,0|2,0,0]=4 10219 B12R1.255 CC(O)CCCSc1ccon1 62a_100009818083_200000718107 [0,2,0,0,0,0|2,0,0]=4 10220 B12R1.255 CC(O)CCCSc1ccon1 62a_200000718107_100009818083 [0,2,0,0,0,0|2,0,0]=4 10221 B12R1.255 CC(O)CCCSc1ccsc1 62a_100000738268_200000718107 [0,2,0,0,0,0|2,0,0]=4 10222 B12R1.255 CC(O)CCCSc1ccsc1 62a_200000718107_100000738268 [0,2,0,0,0,0|2,0,0]=4 10223 B12R1.255 CC(O)CCCSc1ccsn1 62a_100009818082_200000718107 [0,2,0,0,0,0|2,0,0]=4 10224 B12R1.255 CC(O)CCCSc1ccsn1 62a_200000718107_100009818082 [0,2,0,0,0,0|2,0,0]=4 10225 B12R1.255 CC(O)CCCSc1cnco1 62a_100020591547_200000718107 [0,2,0,0,0,0|1,0,0]=3 10226 B12R1.255 CC(O)CCCSc1cnco1 62a_200000718107_100020591547 [0,2,0,0,0,0|1,0,0]=3 10227 B12R1.255 CC(O)CCCSc1cncs1 62a_100011934649_200000718107 [0,2,0,0,0,0|1,1,0]=4 10228 B12R1.255 CC(O)CCCSc1cncs1 62a_200000718107_100011934649 [0,2,0,0,0,0|1,1,0]=4 10229 B12R1.255 CC(O)CCCSc1cscn1 62a_100000751502_200000718107 [0,2,0,0,0,0|2,0,0]=4 10230 B12R1.255 CC(O)CCCSc1cscn1 62a_200000718107_100000751502 [0,2,0,0,0,0|2,0,0]=4 10231 B12R1.255 CC(O)CCCSc1ncc[nH]1 62a_100025796157_200000718107 [0,2,0,0,0,0|2,0,0]=4 10232 B12R1.255 CC(O)CCCSc1ncc[nH]1 62a_200000718107_100025796157 [0,2,0,0,0,0|2,0,0]=4 10233 B12R1.255 CC(O)CCCSc1ncco1 62a_100011787736_200000718107 [0,2,0,0,0,0|1,0,0]=3 10234 B12R1.255 CC(O)CCCSc1ncco1 62a_200000718107_100011787736 [0,2,0,0,0,0|1,0,0]=3 10235 B12R1.255 CC(O)CCCSc1nccs1 62a_100000211983_200000718107 [0,2,0,0,0,0|1,1,0]=4 10236 B12R1.255 CC(O)CCCSc1nccs1 62a_200000718107_100000211983 [0,2,0,0,0,0|1,1,0]=4 10237 B12R1.255 CC(O)CCNCc1c[nH]cn1 2230a_200000755665_100000707719 [0,2,0,0,0,0|2,0,0]=4 10238 B12R1.255 CC(O)CCNCc1cc[nH]n1 207a_200000755665_100000738523 [0,2,0,0,0,0|2,0,0]=4 10239 B12R1.255 CC(O)CCNCc1cc[nH]n1 270004a_200000755665_100000738523 [0,2,0,0,0,0|2,0,0]=4 10240 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [0,2,0,0,0,0|0,0,0]=2 10241 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [0,2,0,0,0,0|0,0,0]=2 10242 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [0,2,0,0,0,0|0,0,0]=2 10243 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [0,2,0,0,0,0|0,0,0]=2 10244 B12R1.255 CC(O)CCNCc1cccs1 207a_200000755665_100000209959 [0,2,0,0,0,0|0,1,0]=3 10245 B12R1.255 CC(O)CCNCc1cccs1 2230a_100000211653_100012276601 [0,2,0,0,0,0|0,1,0]=3 10246 B12R1.255 CC(O)CCNCc1cccs1 270004a_200000755665_100000209959 [0,2,0,0,0,0|0,1,0]=3 10247 B12R1.255 CC(O)CCNCc1ccn[nH]1 2230a_200000755665_100000728653 [0,2,0,0,0,0|2,0,0]=4 10248 B12R1.255 CC(O)CCNCc1ccoc1 207a_200000755665_100011215517 [0,2,0,0,0,0|2,0,0]=4 10249 B12R1.255 CC(O)CCNCc1ccoc1 2230a_100015206860_100012276601 [0,2,0,0,0,0|2,0,0]=4 10250 B12R1.255 CC(O)CCNCc1ccoc1 270004a_200000755665_100011215517 [0,2,0,0,0,0|2,0,0]=4 10251 B12R1.255 CC(O)CCNCc1ccoc1 34a_100015206860_100012276601 [0,2,0,0,0,0|2,0,0]=4 10252 B12R1.255 CC(O)CCNCc1ccon1 2230a_200000755665_100000234950 [0,2,0,0,0,0|2,0,0]=4 10253 B12R1.255 CC(O)CCNCc1ccsc1 207a_200000755665_100000188534 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.255 CC(O)CCNCc1ccsc1 2230a_100000186416_100012276601 [0,2,0,0,0,0|2,0,0]=4 10255 B12R1.255 CC(O)CCNCc1ccsc1 2230a_200000755665_100011261437 [0,2,0,0,0,0|2,0,0]=4 10256 B12R1.255 CC(O)CCNCc1ccsc1 270004a_200000755665_100000188534 [0,2,0,0,0,0|2,0,0]=4 10257 B12R1.255 CC(O)CCNCc1ccsc1 34a_100000186416_100012276601 [0,2,0,0,0,0|2,0,0]=4 10258 B12R1.255 CC(O)CCNCc1cnc[nH]1 207a_200000755665_100000742939 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.255 CC(O)CCNCc1cnco1 270004a_200000755665_100000064291 [0,2,0,0,0,0|1,0,0]=3 10260 B12R1.255 CC(O)CCNCc1cncs1 207a_200000755665_100000749870 [0,2,0,0,0,0|1,1,0]=4 10261 B12R1.255 CC(O)CCNCc1cncs1 2230a_100016987365_100012276601 [0,2,0,0,0,0|1,1,0]=4 10262 B12R1.255 CC(O)CCNCc1cncs1 2230a_200000755665_100015185245 [0,2,0,0,0,0|1,1,0]=4 10263 B12R1.255 CC(O)CCNCc1cncs1 270004a_200000755665_100000749870 [0,2,0,0,0,0|1,1,0]=4 10264 B12R1.255 CC(O)CCNCc1cocn1 270004a_200000755665_100000050382 [0,2,0,0,0,0|2,0,0]=4 10265 B12R1.255 CC(O)CCNCc1cscn1 207a_200000755665_100000743575 [0,2,0,0,0,0|2,0,0]=4 10266 B12R1.255 CC(O)CCNCc1cscn1 2230a_100015185402_100012276601 [0,2,0,0,0,0|2,0,0]=4 10267 B12R1.255 CC(O)CCNCc1cscn1 2230a_200000755665_100000205941 [0,2,0,0,0,0|2,0,0]=4 10268 B12R1.255 CC(O)CCNCc1cscn1 270004a_200000755665_100000743575 [0,2,0,0,0,0|2,0,0]=4 10269 B12R1.255 CC(O)CCNCc1ncc[nH]1 207a_200000755665_100000743867 [0,2,0,0,0,0|2,0,0]=4 10270 B12R1.255 CC(O)CCNCc1ncc[nH]1 2230a_200000755665_100016991755 [0,2,0,0,0,0|2,0,0]=4 10271 B12R1.255 CC(O)CCNCc1ncco1 2230a_100016994969_100012276601 [0,2,0,0,0,0|1,0,0]=3 10272 B12R1.255 CC(O)CCNCc1ncco1 2230a_200000755665_103436540062 [0,2,0,0,0,0|1,0,0]=3 10273 B12R1.255 CC(O)CCNCc1ncco1 270004a_200000755665_100000064290 [0,2,0,0,0,0|1,0,0]=3 10274 B12R1.255 CC(O)CCNCc1nccs1 207a_200000755665_100000750902 [0,2,0,0,0,0|1,1,0]=4 10275 B12R1.255 CC(O)CCNCc1nccs1 2230a_100000740555_100012276601 [0,2,0,0,0,0|1,1,0]=4 10276 B12R1.255 CC(O)CCNCc1nccs1 2230a_200000755665_100015184050 [0,2,0,0,0,0|1,1,0]=4 10277 B12R1.255 CC(O)CCNCc1nccs1 270004a_200000755665_100000750902 [0,2,0,0,0,0|1,1,0]=4 10278 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,2,0,0,0,0|0,0,0]=2 10279 B12R1.255 CC(O)CCOCc1cccs1 34a_100000211240_100012276601 [0,2,0,0,0,0|0,1,0]=3 10280 B12R1.255 CC(O)CCOCc1ccno1 34a_100000740478_100012276601 [0,2,0,0,0,0|1,0,0]=3 10281 B12R1.255 CC(O)CCOCc1ccoc1 34a_100011215357_100012276601 [0,2,0,0,0,0|2,0,0]=4 10282 B12R1.255 CC(O)CCOCc1ccsc1 34a_100011215551_100012276601 [0,2,0,0,0,0|2,0,0]=4 10283 B12R1.255 CC(O)CCOCc1ncco1 34a_100000062594_100012276601 [0,2,0,0,0,0|1,0,0]=3 10284 B12R1.255 CC(O)CCOCn1cccn1 34a_100000731028_100012276601 [0,2,0,0,0,0|2,0,0]=4 10285 B12R1.255 CC(O)CCSCc1c[nH]cn1 62a_100000707719_100012276601 [0,2,0,0,0,0|2,0,0]=4 10286 B12R1.255 CC(O)CCSCc1c[nH]cn1 62a_100012276601_100000707719 [0,2,0,0,0,0|2,0,0]=4 10287 B12R1.255 CC(O)CCSCc1ccn[nH]1 62a_100000728653_100012276601 [0,2,0,0,0,0|2,0,0]=4 10288 B12R1.255 CC(O)CCSCc1ccn[nH]1 62a_100012276601_100000728653 [0,2,0,0,0,0|2,0,0]=4 10289 B12R1.255 CC(O)CCSCc1ccon1 62a_100000234950_100012276601 [0,2,0,0,0,0|2,0,0]=4 10290 B12R1.255 CC(O)CCSCc1ccon1 62a_100012276601_100000234950 [0,2,0,0,0,0|2,0,0]=4 10291 B12R1.255 CC(O)CCSCc1ccsc1 62a_100011261437_100012276601 [0,2,0,0,0,0|2,0,0]=4 10292 B12R1.255 CC(O)CCSCc1ccsc1 62a_100012276601_100011233845 [0,2,0,0,0,0|2,0,0]=4 10293 B12R1.255 CC(O)CCSCc1cncs1 62a_100012276601_100015185245 [0,2,0,0,0,0|1,1,0]=4 10294 B12R1.255 CC(O)CCSCc1cncs1 62a_100015185245_100012276601 [0,2,0,0,0,0|1,1,0]=4 10295 B12R1.255 CC(O)CCSCc1cscn1 62a_100000205941_100012276601 [0,2,0,0,0,0|2,0,0]=4 10296 B12R1.255 CC(O)CCSCc1cscn1 62a_100012276601_100000205941 [0,2,0,0,0,0|2,0,0]=4 10297 B12R1.255 CC(O)CCSCc1ncc[nH]1 62a_100012276601_100016991755 [0,2,0,0,0,0|2,0,0]=4 10298 B12R1.255 CC(O)CCSCc1ncc[nH]1 62a_100016991755_100012276601 [0,2,0,0,0,0|2,0,0]=4 10299 B12R1.255 CC(O)CCSCc1ncco1 62a_100012276601_103436540062 [0,2,0,0,0,0|1,0,0]=3 10300 B12R1.255 CC(O)CCSCc1ncco1 62a_103436540062_100012276601 [0,2,0,0,0,0|1,0,0]=3 10301 B12R1.255 CC(O)CCSCc1nccs1 62a_100012276601_100015184050 [0,2,0,0,0,0|1,1,0]=4 10302 B12R1.255 CC(O)CCSCc1nccs1 62a_100015184050_100012276601 [0,2,0,0,0,0|1,1,0]=4 10303 B12R1.255 CC(O)CNCCc1c[nH]cn1 2230a_100000210904_100020628418 [0,2,0,0,0,0|2,0,0]=4 10304 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [0,2,0,0,0,0|0,0,0]=2 10305 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [0,2,0,0,0,0|0,0,0]=2 10306 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000203755_100011218427 [0,2,0,0,0,0|0,1,0]=3 10307 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000210904_100000748579 [0,2,0,0,0,0|0,1,0]=3 10308 B12R1.255 CC(O)CNCCc1cccs1 34a_100000203755_100011218427 [0,2,0,0,0,0|0,1,0]=3 10309 B12R1.255 CC(O)CNCCc1cccs1 34a_100000210904_100000748579 [0,2,0,0,0,0|0,1,0]=3 10310 B12R1.255 CC(O)CNCCc1ccsc1 2230a_100000692642_100011218427 [0,2,0,0,0,0|2,0,0]=4 10311 B12R1.255 CC(O)CNCCc1ccsc1 34a_100000692642_100011218427 [0,2,0,0,0,0|2,0,0]=4 10312 B12R1.255 CC(O)CNCCc1cncs1 2230a_100016991637_100011218427 [0,2,0,0,0,0|1,1,0]=4 10313 B12R1.255 CC(O)CNCCc1nccs1 2230a_100015186391_100011218427 [0,2,0,0,0,0|1,1,0]=4 10314 B12R1.255 CC(O)CNCCn1cccc1 2230a_100000210904_200009811947 [0,2,0,0,0,0|2,0,0]=4 10315 B12R1.255 CC(O)CNCCn1cccc1 34a_100011368172_100011218427 [0,2,0,0,0,0|2,0,0]=4 10316 B12R1.255 CC(O)CNCCn1cccn1 2230a_100000210904_100000685285 [0,2,0,0,0,0|2,0,0]=4 10317 B12R1.255 CC(O)CNCCn1cccn1 2230a_100011200920_100011218427 [0,2,0,0,0,0|2,0,0]=4 10318 B12R1.255 CC(O)CNCCn1cccn1 34a_100000210904_100015204718 [0,2,0,0,0,0|2,0,0]=4 10319 B12R1.255 CC(O)CNN=Cc1ccco1 4a_200000730056_100000186105 [0,2,0,0,0,0|1,0,1]=4 10320 B12R1.255 CC(O)COCCc1cccs1 34a_100011216825_100011218427 [0,2,0,0,0,0|0,1,0]=3 10321 B12R1.255 CC(O)COCCc1cccs1 7a_100011216825_100011218427 [0,2,0,0,0,0|0,1,0]=3 10322 B12R1.255 CC(O)COCCc1ccsc1 34a_100000748821_100011218427 [0,2,0,0,0,0|2,0,0]=4 10323 B12R1.255 CC(O)COCCc1ncc[nH]1 34a_103549771195_100011218427 [0,2,0,0,0,0|2,0,0]=4 10324 B12R1.255 CC(O)COCCn1cccc1 34a_100000179382_100011218427 [0,2,0,0,0,0|2,0,0]=4 10325 B12R1.255 CC(O)COCCn1cccn1 34a_100000743371_100011218427 [0,2,0,0,0,0|2,0,0]=4 10326 B12R1.255 CC(O)CSCCc1c[nH]cn1 62a_100011218427_100020628418 [0,2,0,0,0,0|2,0,0]=4 10327 B12R1.255 CC(O)CSCCc1c[nH]cn1 62a_100020628418_100011218427 [0,2,0,0,0,0|2,0,0]=4 10328 B12R1.255 CC(O)CSCCc1cccs1 62a_100000748579_100011218427 [0,2,0,0,0,0|0,1,0]=3 10329 B12R1.255 CC(O)CSCCc1cccs1 62a_100011218427_100000748579 [0,2,0,0,0,0|0,1,0]=3 10330 B12R1.255 CC(O)CSCCn1cccc1 62a_100011218427_200000035178 [0,2,0,0,0,0|2,0,0]=4 10331 B12R1.255 CC(O)CSCCn1cccc1 62a_200009811947_100011218427 [0,2,0,0,0,0|2,0,0]=4 10332 B12R1.255 CC(O)CSCCn1cccn1 62a_100011218427_100000685285 [0,2,0,0,0,0|2,0,0]=4 10333 B12R1.255 CC(O)CSCCn1cccn1 62a_100015204718_100011218427 [0,2,0,0,0,0|2,0,0]=4 10334 B12R1.255 CN(C)CCCSc1ccco1 62a_100009814098_100000757444 [0,2,0,0,0,0|1,0,0]=3 10335 B12R1.255 CN(C)CCCSc1cccs1 62a_100011215356_100000757444 [0,2,0,0,0,0|1,1,0]=4 10336 B12R1.255 CN(C)CCCSc1cnco1 62a_100020591547_100000757444 [0,2,0,0,0,0|2,0,0]=4 10337 B12R1.255 CN(C)CCCSc1ncco1 62a_100011787736_100000757444 [0,2,0,0,0,0|2,0,0]=4 10338 B12R1.255 CN(C)CCNCc1ccco1 207a_100000210585_100000186105 [0,2,0,0,0,0|1,0,0]=3 10339 B12R1.255 CN(C)CCNCc1ccco1 270004a_100000210585_100000186105 [0,2,0,0,0,0|1,0,0]=3 10340 B12R1.255 CN(C)CCNCc1cccs1 207a_100000210585_100000209959 [0,2,0,0,0,0|1,1,0]=4 10341 B12R1.255 CN(C)CCNCc1cccs1 270004a_100000210585_100000209959 [0,2,0,0,0,0|1,1,0]=4 10342 B12R1.255 CN(C)CCNCc1cnco1 270004a_100000210585_100000064291 [0,2,0,0,0,0|2,0,0]=4 10343 B12R1.255 CN(C)CCNCc1ncco1 270004a_100000210585_100000064290 [0,2,0,0,0,0|2,0,0]=4 10344 B12R1.255 CN(C)CCSCc1ncco1 62a_103436540062_100000755713 [0,2,0,0,0,0|2,0,0]=4 10345 B12R1.255 C[C@@H](Cl)COCCc1cccs1 34a_100016084084_100000748579 [0,2,0,0,0,0|0,1,0]=3 10346 B12R1.255 C[C@@H](Cl)COCCn1cccn1 34a_100016084084_100015204718 [0,2,0,0,0,0|2,0,0]=4 10347 B12R1.255 C[C@@H](N)CCOCc1c[nH]cn1 34a_100000706166_100000707719 [0,2,0,0,0,0|2,0,0]=4 10348 B12R1.255 C[C@@H](N)CCOCc1ccn[nH]1 34a_100000706166_100000728653 [0,2,0,0,0,0|2,0,0]=4 10349 B12R1.255 C[C@@H](N)CCOCc1ccon1 34a_100000706166_100000234950 [0,2,0,0,0,0|2,0,0]=4 10350 B12R1.255 C[C@@H](N)CCOCc1ccsc1 34a_100000706166_100011261437 [0,2,0,0,0,0|2,0,0]=4 10351 B12R1.255 C[C@@H](N)CCOCc1cncs1 34a_100000706166_100015185245 [0,2,0,0,0,0|1,1,0]=4 10352 B12R1.255 C[C@@H](N)CCOCc1cscn1 34a_100000706166_100000205941 [0,2,0,0,0,0|2,0,0]=4 10353 B12R1.255 C[C@@H](N)CCOCc1ncc[nH]1 34a_100000706166_100016991755 [0,2,0,0,0,0|2,0,0]=4 10354 B12R1.255 C[C@@H](N)CCOCc1ncco1 34a_100000706166_103436540062 [0,2,0,0,0,0|1,0,0]=3 10355 B12R1.255 C[C@@H](N)CCOCc1nccs1 34a_100000706166_100015184050 [0,2,0,0,0,0|1,1,0]=4 10356 B12R1.255 C[C@@H](N)COCCc1cccs1 34a_100000737577_100000748579 [0,2,0,0,0,0|0,1,0]=3 10357 B12R1.255 C[C@@H](N)COCCn1cccn1 34a_100000737577_100015204718 [0,2,0,0,0,0|2,0,0]=4 10358 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [0,2,0,0,0,0|0,0,0]=2 10359 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [0,2,0,0,0,0|0,0,0]=2 10360 B12R1.255 C[C@@H](O)CNCCc1cccs1 2230a_100000203755_100009817552 [0,2,0,0,0,0|0,1,0]=3 10361 B12R1.255 C[C@@H](O)CNCCc1cccs1 34a_100000203755_100009817552 [0,2,0,0,0,0|0,1,0]=3 10362 B12R1.255 C[C@@H](O)CNCCc1ccsc1 2230a_100000692642_100009817552 [0,2,0,0,0,0|2,0,0]=4 10363 B12R1.255 C[C@@H](O)CNCCc1ccsc1 34a_100000692642_100009817552 [0,2,0,0,0,0|2,0,0]=4 10364 B12R1.255 C[C@@H](O)CNCCc1cncs1 2230a_100016991637_100009817552 [0,2,0,0,0,0|1,1,0]=4 10365 B12R1.255 C[C@@H](O)CNCCc1nccs1 2230a_100015186391_100009817552 [0,2,0,0,0,0|1,1,0]=4 10366 B12R1.255 C[C@@H](O)CNCCn1cccc1 34a_100011368172_100009817552 [0,2,0,0,0,0|2,0,0]=4 10367 B12R1.255 C[C@@H](O)CNCCn1cccn1 2230a_100011200920_100009817552 [0,2,0,0,0,0|2,0,0]=4 10368 B12R1.255 C[C@@H](O)COCCc1cccs1 34a_100011216825_100009817552 [0,2,0,0,0,0|0,1,0]=3 10369 B12R1.255 C[C@@H](O)COCCc1cccs1 7a_100011216825_100009817552 [0,2,0,0,0,0|0,1,0]=3 10370 B12R1.255 C[C@@H](O)COCCc1ccsc1 34a_100000748821_100009817552 [0,2,0,0,0,0|2,0,0]=4 10371 B12R1.255 C[C@@H](O)COCCc1ncc[nH]1 34a_103549771195_100009817552 [0,2,0,0,0,0|2,0,0]=4 10372 B12R1.255 C[C@@H](O)COCCn1cccc1 34a_100000179382_100009817552 [0,2,0,0,0,0|2,0,0]=4 10373 B12R1.255 C[C@@H](O)COCCn1cccn1 34a_100000743371_100009817552 [0,2,0,0,0,0|2,0,0]=4 10374 B12R1.255 C[C@@H](O)CSCCc1c[nH]cn1 62a_100009817552_100020628418 [0,2,0,0,0,0|2,0,0]=4 10375 B12R1.255 C[C@@H](O)CSCCc1c[nH]cn1 62a_100020628418_100009817552 [0,2,0,0,0,0|2,0,0]=4 10376 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100000748579_100009817552 [0,2,0,0,0,0|0,1,0]=3 10377 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100009817552_100000748579 [0,2,0,0,0,0|0,1,0]=3 10378 B12R1.255 C[C@@H](O)CSCCn1cccc1 62a_100009817552_200000035178 [0,2,0,0,0,0|2,0,0]=4 10379 B12R1.255 C[C@@H](O)CSCCn1cccc1 62a_200009811947_100009817552 [0,2,0,0,0,0|2,0,0]=4 10380 B12R1.255 C[C@@H](O)CSCCn1cccn1 62a_100009817552_100000685285 [0,2,0,0,0,0|2,0,0]=4 10381 B12R1.255 C[C@@H](O)CSCCn1cccn1 62a_100015204718_100009817552 [0,2,0,0,0,0|2,0,0]=4 10382 B12R1.255 FC(F)CCOCc1ncco1 34a_100103093639_103436540062 [0,2,0,0,0,0|2,0,0]=4 10383 B12R1.255 FC(F)CNCCc1ccco1 2230a_100000694680_100011934356 [0,2,0,0,0,0|1,0,0]=3 10384 B12R1.255 FC(F)CNCCc1ccco1 34a_100000694680_100011934356 [0,2,0,0,0,0|1,0,0]=3 10385 B12R1.255 FC(F)CNCCc1cccs1 2230a_100000203755_100011934356 [0,2,0,0,0,0|1,1,0]=4 10386 B12R1.255 FC(F)CNCCc1cccs1 34a_100000203755_100011934356 [0,2,0,0,0,0|1,1,0]=4 10387 B12R1.255 FC(F)CNCCc1cccs1 34a_100000765723_100000748579 [0,2,0,0,0,0|1,1,0]=4 10388 B12R1.255 FC(F)COCCc1cccs1 34a_100000743014_100000748579 [0,2,0,0,0,0|1,1,0]=4 10389 B12R1.255 FC(F)COCCc1cccs1 34a_100011216825_100011934356 [0,2,0,0,0,0|1,1,0]=4 10390 B12R1.255 FC(F)COCCc1cccs1 7a_100011216825_100011934356 [0,2,0,0,0,0|1,1,0]=4 10391 B12R1.255 FC(F)CSCCc1cccs1 62a_100000748579_100011934356 [0,2,0,0,0,0|1,1,0]=4 10392 B12R1.255 FC(F)CSCCc1cccs1 62a_100011934356_100000748579 [0,2,0,0,0,0|1,1,0]=4 10393 B12R1.255 NC(=O)CCCSc1ccco1 62a_100009814098_100102525003 [0,2,0,0,0,0|1,0,1]=4 10394 B12R1.255 NC(=O)CCCSc1ccco1 62a_100102525003_100009814098 [0,2,0,0,0,0|1,0,1]=4 10395 B12R1.255 NC(=O)CCNCc1ccco1 207a_100000740010_100000186105 [0,2,0,0,0,0|1,0,1]=4 10396 B12R1.255 NC(=O)CCNCc1ccco1 2230a_100000185738_100000744528 [0,2,0,0,0,0|1,0,1]=4 10397 B12R1.255 NC(=O)CCNCc1ccco1 34a_100000185738_100000731001 [0,2,0,0,0,0|1,0,1]=4 10398 B12R1.255 NC(=O)CCOCc1ccco1 34a_100000210059_100000731001 [0,2,0,0,0,0|1,0,1]=4 10399 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [0,2,0,0,0,0|1,0,1]=4 10400 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [0,2,0,0,0,0|1,0,1]=4 10401 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [0,2,0,0,0,0|1,0,1]=4 10402 B12R1.255 O=[N+]([O-])CNCCc1ccco1 34a_100000694680_100000761209 [0,2,0,0,0,0|2,0,0]=4 10403 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [0,2,0,0,0,0|0,1,0]=3 10404 B12R1.372 C#CCCOCc1occc1C 34a_100011273948_100000688953 [0,2,0,0,0,0|0,0,2]=4 10405 B12R1.372 C#CCCOCc1occc1C 7a_100011273948_100000688953 [0,2,0,0,0,0|0,0,2]=4 10406 B12R1.372 C/C=C/COCc1occc1C 34a_100011273948_100102629194 [0,2,0,0,0,0|0,0,2]=4 10407 B12R1.372 C/C=C/COCc1occc1C 7a_100011273948_100102629194 [0,2,0,0,0,0|0,0,2]=4 10408 B12R1.372 C=CCCNCc1occc1Br 270004a_100015191253_100000756499 [0,2,0,0,0,0|0,0,2]=4 10409 B12R1.372 C=CCCNCc1occc1C 207a_100015191253_100000763527 [0,2,0,0,0,0|0,0,2]=4 10410 B12R1.372 C=CCCNCc1occc1C 270004a_100015191253_100000763527 [0,2,0,0,0,0|0,0,2]=4 10411 B12R1.372 C=CCCOCc1occc1C 34a_100011273948_100000754431 [0,2,0,0,0,0|0,0,2]=4 10412 B12R1.372 C=CCCOCc1occc1C 7a_100011273948_100000754431 [0,2,0,0,0,0|0,0,2]=4 10413 B12R1.372 CC#CCOCc1occc1C 34a_100011273948_100000748600 [0,2,0,0,0,0|0,0,2]=4 10414 B12R1.372 CC#CCOCc1occc1C 7a_100011273948_100000748600 [0,2,0,0,0,0|0,0,2]=4 10415 B12R1.372 CC=CCOCc1occc1C 34a_100011273948_100000070051 [0,2,0,0,0,0|0,0,2]=4 10416 B12R1.372 CC=CCOCc1occc1C 7a_100011273948_100000070051 [0,2,0,0,0,0|0,0,2]=4 10417 B12R1.372 CCCCC=Cc1sccc1Br 271570a_100016275911_100012361411 [0,2,0,0,0,0|0,1,1]=4 10418 B12R1.372 CCCCC=Cc1sccc1C 271570a_100016275911_100000742657 [0,2,0,0,0,0|0,1,1]=4 10419 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,2,0,0,0,0|2,0,0]=4 10420 B12R1.372 CCCCCOc1ccnn1C 34a_100020632926_100000718602 [0,2,0,0,0,0|2,0,0]=4 10421 B12R1.372 CCCCCSc1[nH]cnc1Cl 62a_100000210326_100010200774 [0,2,0,0,0,0|2,0,0]=4 10422 B12R1.372 CCCCCSc1[nH]cnc1Cl 62a_100010200774_100000210326 [0,2,0,0,0,0|2,0,0]=4 10423 B12R1.372 CCCCCSc1ccnn1C 62a_100000210326_100000688441 [0,2,0,0,0,0|2,0,0]=4 10424 B12R1.372 CCCCCSc1ccnn1C 62a_100000688441_100000210326 [0,2,0,0,0,0|2,0,0]=4 10425 B12R1.372 CCCCCSc1ccsc1C 62a_100000210326_100000684487 [0,2,0,0,0,0|2,0,0]=4 10426 B12R1.372 CCCCCSc1ccsc1C 62a_100000684487_100000210326 [0,2,0,0,0,0|2,0,0]=4 10427 B12R1.372 CCCCCSc1cncn1C 62a_100000210326_100009814087 [0,2,0,0,0,0|2,0,0]=4 10428 B12R1.372 CCCCCSc1cncn1C 62a_100009814087_100000210326 [0,2,0,0,0,0|2,0,0]=4 10429 B12R1.372 CCCCCSc1cscc1Br 62a_100000210326_100010143727 [0,2,0,0,0,0|2,0,0]=4 10430 B12R1.372 CCCCCSc1cscc1Br 62a_100010143727_100000210326 [0,2,0,0,0,0|2,0,0]=4 10431 B12R1.372 CCCCCSc1cscc1C 62a_100000210326_100000759966 [0,2,0,0,0,0|2,0,0]=4 10432 B12R1.372 CCCCCSc1cscc1C 62a_100000759966_100000210326 [0,2,0,0,0,0|2,0,0]=4 10433 B12R1.372 CCCCCSc1n[nH]cc1Br 62a_100000210326_100015839836 [0,2,0,0,0,0|2,0,0]=4 10434 B12R1.372 CCCCCSc1n[nH]cc1Br 62a_100015839836_100000210326 [0,2,0,0,0,0|2,0,0]=4 10435 B12R1.372 CCCCCSc1n[nH]cc1C 62a_100000210326_100009871783 [0,2,0,0,0,0|2,0,0]=4 10436 B12R1.372 CCCCCSc1n[nH]cc1C 62a_100009871783_100000210326 [0,2,0,0,0,0|2,0,0]=4 10437 B12R1.372 CCCCCSc1n[nH]cc1N 62a_100000210326_100010894806 [0,2,0,0,0,0|2,0,0]=4 10438 B12R1.372 CCCCCSc1n[nH]cc1N 62a_100010894806_100000210326 [0,2,0,0,0,0|2,0,0]=4 10439 B12R1.372 CCCCCSc1nc[nH]c1C 62a_100000210326_100010186451 [0,2,0,0,0,0|2,0,0]=4 10440 B12R1.372 CCCCCSc1nc[nH]c1C 62a_100010186451_100000210326 [0,2,0,0,0,0|2,0,0]=4 10441 B12R1.372 CCCCCSc1nccn1C 62a_100000210326_100000707724 [0,2,0,0,0,0|2,0,0]=4 10442 B12R1.372 CCCCCSc1nccn1C 62a_100000707724_100000210326 [0,2,0,0,0,0|2,0,0]=4 10443 B12R1.372 CCCCCSc1ncsc1C 62a_100000210326_100000732656 [0,2,0,0,0,0|2,0,0]=4 10444 B12R1.372 CCCCCSc1ncsc1C 62a_100000732656_100000210326 [0,2,0,0,0,0|2,0,0]=4 10445 B12R1.372 CCCCCSc1sccc1Br 62a_100000210326_100012361411 [0,2,0,0,0,0|0,1,0]=3 10446 B12R1.372 CCCCCSc1sccc1Br 62a_100012361411_100000210326 [0,2,0,0,0,0|0,1,0]=3 10447 B12R1.372 CCCCCSc1sccc1C 62a_100000210326_100010247149 [0,2,0,0,0,0|0,1,0]=3 10448 B12R1.372 CCCCCSc1sccc1C 62a_100010247149_100000210326 [0,2,0,0,0,0|0,1,0]=3 10449 B12R1.372 CCCCCSc1scnc1C 62a_100000210326_100009817116 [0,2,0,0,0,0|1,1,0]=4 10450 B12R1.372 CCCCCSc1scnc1C 62a_100009817116_100000210326 [0,2,0,0,0,0|1,1,0]=4 10451 B12R1.372 CCCCNCc1[nH]ncc1Br 207a_100000102301_100000732679 [0,2,0,0,0,0|2,0,0]=4 10452 B12R1.372 CCCCNCc1[nH]ncc1Br 270004a_100000102301_100000732679 [0,2,0,0,0,0|2,0,0]=4 10453 B12R1.372 CCCCNCc1[nH]ncc1C 207a_100000102301_100000708485 [0,2,0,0,0,0|2,0,0]=4 10454 B12R1.372 CCCCNCc1[nH]ncc1C 270004a_100000102301_100000708485 [0,2,0,0,0,0|2,0,0]=4 10455 B12R1.372 CCCCNCc1cccn1C 270004a_100000102301_100000211633 [0,2,0,0,0,0|1,0,0]=3 10456 B12R1.372 CCCCNCc1cccn1C 34a_100011219357_100000210210 [0,2,0,0,0,0|1,0,0]=3 10457 B12R1.372 CCCCNCc1ccnn1C 207a_100000102301_100000737161 [0,2,0,0,0,0|2,0,0]=4 10458 B12R1.372 CCCCNCc1ccnn1C 2230a_100000102301_100000691648 [0,2,0,0,0,0|2,0,0]=4 10459 B12R1.372 CCCCNCc1ccnn1C 270004a_100000102301_100000737161 [0,2,0,0,0,0|2,0,0]=4 10460 B12R1.372 CCCCNCc1ccnn1C 34a_100025706696_100000210210 [0,2,0,0,0,0|2,0,0]=4 10461 B12R1.372 CCCCNCc1ccnn1C 7a_106832991798_100000691648 [0,2,0,0,0,0|2,0,0]=4 10462 B12R1.372 CCCCNCc1ccsc1Br 207a_100000102301_100009816921 [0,2,0,0,0,0|2,0,0]=4 10463 B12R1.372 CCCCNCc1ccsc1Br 2230a_100000102301_100009814289 [0,2,0,0,0,0|2,0,0]=4 10464 B12R1.372 CCCCNCc1ccsc1Br 2230a_100000727803_100000210211 [0,2,0,0,0,0|2,0,0]=4 10465 B12R1.372 CCCCNCc1ccsc1Br 270004a_100000102301_100009816921 [0,2,0,0,0,0|2,0,0]=4 10466 B12R1.372 CCCCNCc1ccsc1Br 34a_100000727803_100000210210 [0,2,0,0,0,0|2,0,0]=4 10467 B12R1.372 CCCCNCc1ccsc1Br 7a_106832991798_100009814289 [0,2,0,0,0,0|2,0,0]=4 10468 B12R1.372 CCCCNCc1ccsc1Cl 207a_100000102301_100000089901 [0,2,0,0,0,0|2,0,0]=4 10469 B12R1.372 CCCCNCc1ccsc1Cl 2230a_100000102301_100010167017 [0,2,0,0,0,0|2,0,0]=4 10470 B12R1.372 CCCCNCc1ccsc1Cl 270004a_100000102301_100000089901 [0,2,0,0,0,0|2,0,0]=4 10471 B12R1.372 CCCCNCc1ccsc1Cl 7a_106832991798_100010167017 [0,2,0,0,0,0|2,0,0]=4 10472 B12R1.372 CCCCNCc1cncn1C 207a_100000102301_100000750899 [0,2,0,0,0,0|2,0,0]=4 10473 B12R1.372 CCCCNCc1cncn1C 270004a_100000102301_100000750899 [0,2,0,0,0,0|2,0,0]=4 10474 B12R1.372 CCCCNCc1cscc1Br 207a_100000102301_100000685484 [0,2,0,0,0,0|2,0,0]=4 10475 B12R1.372 CCCCNCc1cscc1Br 270004a_100000102301_100000685484 [0,2,0,0,0,0|2,0,0]=4 10476 B12R1.372 CCCCNCc1n[nH]cc1Cl 207a_100000102301_100000040271 [0,2,0,0,0,0|2,0,0]=4 10477 B12R1.372 CCCCNCc1n[nH]cc1Cl 270004a_100000102301_100000040271 [0,2,0,0,0,0|2,0,0]=4 10478 B12R1.372 CCCCNCc1nc[nH]c1C 207a_100000102301_100000032982 [0,2,0,0,0,0|2,0,0]=4 10479 B12R1.372 CCCCNCc1nc[nH]c1C 2230a_100000102301_100000751220 [0,2,0,0,0,0|2,0,0]=4 10480 B12R1.372 CCCCNCc1nccn1C 207a_100000102301_100000748660 [0,2,0,0,0,0|2,0,0]=4 10481 B12R1.372 CCCCNCc1nccn1C 2230a_100000102301_100000700302 [0,2,0,0,0,0|2,0,0]=4 10482 B12R1.372 CCCCNCc1nccn1C 2230a_100015186572_100000210211 [0,2,0,0,0,0|2,0,0]=4 10483 B12R1.372 CCCCNCc1nccn1C 270004a_100000102301_100000748660 [0,2,0,0,0,0|2,0,0]=4 10484 B12R1.372 CCCCNCc1nccn1C 7a_106832991798_100000700302 [0,2,0,0,0,0|2,0,0]=4 10485 B12R1.372 CCCCNCc1ncoc1C 2230a_100000102301_200000693990 [0,2,0,0,0,0|2,0,0]=4 10486 B12R1.372 CCCCNCc1ncoc1C 7a_106832991798_200000693990 [0,2,0,0,0,0|2,0,0]=4 10487 B12R1.372 CCCCNCc1occc1Br 270004a_100000102301_100000756499 [0,2,0,0,0,0|0,0,0]=2 10488 B12R1.372 CCCCNCc1occc1C 207a_100000102301_100000763527 [0,2,0,0,0,0|0,0,0]=2 10489 B12R1.372 CCCCNCc1occc1C 270004a_100000102301_100000763527 [0,2,0,0,0,0|0,0,0]=2 10490 B12R1.372 CCCCNCc1sccc1Br 207a_100000102301_100000766043 [0,2,0,0,0,0|0,1,0]=3 10491 B12R1.372 CCCCNCc1sccc1Br 270004a_100000102301_100000766043 [0,2,0,0,0,0|0,1,0]=3 10492 B12R1.372 CCCCNCc1sccc1C 207a_100000102301_100000210881 [0,2,0,0,0,0|0,1,0]=3 10493 B12R1.372 CCCCNCc1sccc1C 2230a_100000238519_100000210211 [0,2,0,0,0,0|0,1,0]=3 10494 B12R1.372 CCCCNCc1sccc1C 270004a_100000102301_100000210881 [0,2,0,0,0,0|0,1,0]=3 10495 B12R1.372 CCCCNCc1sccc1C 34a_100000238519_100000210210 [0,2,0,0,0,0|0,1,0]=3 10496 B12R1.372 CCCCNCc1sccc1Cl 207a_100000102301_100000722334 [0,2,0,0,0,0|0,1,0]=3 10497 B12R1.372 CCCCNCc1sccc1Cl 2230a_100011934584_100000210211 [0,2,0,0,0,0|0,1,0]=3 10498 B12R1.372 CCCCNCc1sccc1Cl 270004a_100000102301_100000722334 [0,2,0,0,0,0|0,1,0]=3 10499 B12R1.372 CCCCNCc1sccc1Cl 34a_100011934584_100000210210 [0,2,0,0,0,0|0,1,0]=3 10500 B12R1.372 CCCCNCc1scnc1C 207a_100000102301_100000764165 [0,2,0,0,0,0|1,1,0]=4 10501 B12R1.372 CCCCNCc1scnc1C 2230a_100000752186_100000210211 [0,2,0,0,0,0|1,1,0]=4 10502 B12R1.372 CCCCOCc1ccnn1C 34a_100000210227_100000691648 [0,2,0,0,0,0|2,0,0]=4 10503 B12R1.372 CCCCOCc1ccnn1C 34a_100000684702_100000210210 [0,2,0,0,0,0|2,0,0]=4 10504 B12R1.372 CCCCOCc1ccnn1C 7a_100000210227_100000691648 [0,2,0,0,0,0|2,0,0]=4 10505 B12R1.372 CCCCOCc1ccoc1C 34a_100011219433_100000210210 [0,2,0,0,0,0|2,0,0]=4 10506 B12R1.372 CCCCOCc1ccoc1C 7a_100011219433_100000210211 [0,2,0,0,0,0|2,0,0]=4 10507 B12R1.372 CCCCOCc1ccsc1Br 34a_100000210227_100009814289 [0,2,0,0,0,0|2,0,0]=4 10508 B12R1.372 CCCCOCc1ccsc1Br 34a_100009816922_100000210210 [0,2,0,0,0,0|2,0,0]=4 10509 B12R1.372 CCCCOCc1ccsc1Br 7a_100000210227_100009814289 [0,2,0,0,0,0|2,0,0]=4 10510 B12R1.372 CCCCOCc1ccsc1Br 7a_100009816922_100000210211 [0,2,0,0,0,0|2,0,0]=4 10511 B12R1.372 CCCCOCc1ccsc1Cl 34a_100000210227_100010167017 [0,2,0,0,0,0|2,0,0]=4 10512 B12R1.372 CCCCOCc1ccsc1Cl 7a_100000210227_100010167017 [0,2,0,0,0,0|2,0,0]=4 10513 B12R1.372 CCCCOCc1cscc1Br 34a_100000724555_100000210210 [0,2,0,0,0,0|2,0,0]=4 10514 B12R1.372 CCCCOCc1nccn1C 34a_100000210227_100000700302 [0,2,0,0,0,0|2,0,0]=4 10515 B12R1.372 CCCCOCc1nccn1C 7a_100000210227_100000700302 [0,2,0,0,0,0|2,0,0]=4 10516 B12R1.372 CCCCOCc1nccn1C 7a_100000691215_100000210211 [0,2,0,0,0,0|2,0,0]=4 10517 B12R1.372 CCCCOCc1ncoc1C 34a_100000210227_200000693990 [0,2,0,0,0,0|2,0,0]=4 10518 B12R1.372 CCCCOCc1ncoc1C 34a_100012017639_100000210210 [0,2,0,0,0,0|2,0,0]=4 10519 B12R1.372 CCCCOCc1ncoc1C 7a_100000210227_200000693990 [0,2,0,0,0,0|2,0,0]=4 10520 B12R1.372 CCCCOCc1occc1C 34a_100011273948_100000210210 [0,2,0,0,0,0|0,0,0]=2 10521 B12R1.372 CCCCOCc1occc1C 7a_100011273948_100000210211 [0,2,0,0,0,0|0,0,0]=2 10522 B12R1.372 CCCCOCc1ocnc1C 34a_100000717716_100000210210 [0,2,0,0,0,0|1,0,0]=3 10523 B12R1.372 CCCCOCc1ocnc1C 7a_100000717716_100000210211 [0,2,0,0,0,0|1,0,0]=3 10524 B12R1.372 CCCCOCc1oncc1C 34a_200011065769_100000210210 [0,2,0,0,0,0|1,0,0]=3 10525 B12R1.372 CCCCOCc1sccc1Br 34a_100000702026_100000210210 [0,2,0,0,0,0|0,1,0]=3 10526 B12R1.372 CCCCOCc1sccc1C 34a_100000238368_100000210210 [0,2,0,0,0,0|0,1,0]=3 10527 B12R1.372 CCCCOCc1sccc1C 7a_100000238368_100000210211 [0,2,0,0,0,0|0,1,0]=3 10528 B12R1.372 CCCCOCc1sccc1Cl 34a_100000722387_100000210210 [0,2,0,0,0,0|0,1,0]=3 10529 B12R1.372 CCCCOCc1sccc1Cl 7a_100000722387_100000210211 [0,2,0,0,0,0|0,1,0]=3 10530 B12R1.372 CCCCOCc1scnc1Br 7a_100012000948_100000210211 [0,2,0,0,0,0|1,1,0]=4 10531 B12R1.372 CCCCOCc1scnc1C 34a_100000750112_100000210210 [0,2,0,0,0,0|1,1,0]=4 10532 B12R1.372 CCCCOCc1scnc1C 7a_100000750112_100000210211 [0,2,0,0,0,0|1,1,0]=4 10533 B12R1.372 CCCCSCc1ccnn1C 62a_100000210211_100000691648 [0,2,0,0,0,0|2,0,0]=4 10534 B12R1.372 CCCCSCc1ccnn1C 62a_100000691648_100000210210 [0,2,0,0,0,0|2,0,0]=4 10535 B12R1.372 CCCCSCc1ccsc1Br 62a_100000210211_100009814289 [0,2,0,0,0,0|2,0,0]=4 10536 B12R1.372 CCCCSCc1ccsc1Br 62a_100009814289_100000210210 [0,2,0,0,0,0|2,0,0]=4 10537 B12R1.372 CCCCSCc1ccsc1Cl 62a_100000210211_100010167017 [0,2,0,0,0,0|2,0,0]=4 10538 B12R1.372 CCCCSCc1ccsc1Cl 62a_100010167017_100000210210 [0,2,0,0,0,0|2,0,0]=4 10539 B12R1.372 CCCCSCc1nc[nH]c1C 62a_100000210211_100000751220 [0,2,0,0,0,0|2,0,0]=4 10540 B12R1.372 CCCCSCc1nc[nH]c1C 62a_100000751220_100000210210 [0,2,0,0,0,0|2,0,0]=4 10541 B12R1.372 CCCCSCc1nccn1C 62a_100000210211_100000700302 [0,2,0,0,0,0|2,0,0]=4 10542 B12R1.372 CCCCSCc1nccn1C 62a_100000700302_100000210210 [0,2,0,0,0,0|2,0,0]=4 10543 B12R1.372 CCCCSCc1ncoc1C 62a_100000210211_200000693990 [0,2,0,0,0,0|2,0,0]=4 10544 B12R1.372 CCCCSCc1ncoc1C 62a_200000693990_100000210210 [0,2,0,0,0,0|2,0,0]=4 10545 B12R1.372 CCCNCCc1cccn1C 2230a_100011251756_100000210303 [0,2,0,0,0,0|1,0,0]=3 10546 B12R1.372 CCCNCCc1cccn1C 34a_100011251756_100000210303 [0,2,0,0,0,0|1,0,0]=3 10547 B12R1.372 CCCNCCc1scnc1C 2230a_100000238517_100000210303 [0,2,0,0,0,0|1,1,0]=4 10548 B12R1.372 CCCNCCc1scnc1C 34a_100000238517_100000210303 [0,2,0,0,0,0|1,1,0]=4 10549 B12R1.372 CCCNN=Cc1occc1Br 4a_100000740057_100000756499 [0,2,0,0,0,0|1,0,1]=4 10550 B12R1.372 CCCNN=Cc1occc1C 4a_100000740057_100000763527 [0,2,0,0,0,0|1,0,1]=4 10551 B12R1.372 CCCOCCc1scnc1C 34a_100000210258_100000057103 [0,2,0,0,0,0|1,1,0]=4 10552 B12R1.372 CCCOCCc1scnc1C 34a_100000211055_100000210303 [0,2,0,0,0,0|1,1,0]=4 10553 B12R1.372 CCCOCCc1scnc1C 7a_100000211055_100000210303 [0,2,0,0,0,0|1,1,0]=4 10554 B12R1.372 CCCOCCn1nccc1N 34a_100000701086_100000210303 [0,2,0,0,0,0|2,0,0]=4 10555 B12R1.372 CCCSCCc1scnc1C 62a_100000057103_100000210303 [0,2,0,0,0,0|1,1,0]=4 10556 B12R1.372 CCCSCCc1scnc1C 62a_100000210303_100000057103 [0,2,0,0,0,0|1,1,0]=4 10557 B12R1.372 CCCSCCn1nccc1C 62a_100000210303_100011934269 [0,2,0,0,0,0|2,0,0]=4 10558 B12R1.372 CCCSCCn1nccc1C 62a_100011934269_100000210303 [0,2,0,0,0,0|2,0,0]=4 10559 B12R1.372 CCOCCSc1sccc1Br 62a_100000210147_100012361411 [0,2,0,0,0,0|1,1,0]=4 10560 B12R1.372 CCOCCSc1sccc1Br 62a_100012361411_100011215890 [0,2,0,0,0,0|1,1,0]=4 10561 B12R1.372 CCOCCSc1sccc1C 62a_100000210147_100010247149 [0,2,0,0,0,0|1,1,0]=4 10562 B12R1.372 CCOCCSc1sccc1C 62a_100010247149_100011215890 [0,2,0,0,0,0|1,1,0]=4 10563 B12R1.372 CCSCCSc1sccc1Br 62a_100000757381_100012361411 [0,2,0,0,0,0|1,1,0]=4 10564 B12R1.372 CCSCCSc1sccc1Br 62a_100012361411_100000757381 [0,2,0,0,0,0|1,1,0]=4 10565 B12R1.372 CCSCCSc1sccc1C 62a_100000757381_100010247149 [0,2,0,0,0,0|1,1,0]=4 10566 B12R1.372 CCSCCSc1sccc1C 62a_100010247149_100000757381 [0,2,0,0,0,0|1,1,0]=4 10567 B12R1.372 COCCCSc1sccc1Br 62a_100000709357_100012361411 [0,2,0,0,0,0|1,1,0]=4 10568 B12R1.372 COCCCSc1sccc1Br 62a_100012361411_100000709357 [0,2,0,0,0,0|1,1,0]=4 10569 B12R1.372 COCCCSc1sccc1C 62a_100000709357_100010247149 [0,2,0,0,0,0|1,1,0]=4 10570 B12R1.372 COCCCSc1sccc1C 62a_100010247149_100000709357 [0,2,0,0,0,0|1,1,0]=4 10571 B12R1.372 COCCNCc1cccn1C 270004a_100000209980_100000211633 [0,2,0,0,0,0|2,0,0]=4 10572 B12R1.372 COCCNCc1cccn1C 34a_100011219357_100011201679 [0,2,0,0,0,0|2,0,0]=4 10573 B12R1.372 COCCNCc1occc1Br 270004a_100000209980_100000756499 [0,2,0,0,0,0|1,0,0]=3 10574 B12R1.372 COCCNCc1occc1C 207a_100000209980_100000763527 [0,2,0,0,0,0|1,0,0]=3 10575 B12R1.372 COCCNCc1occc1C 270004a_100000209980_100000763527 [0,2,0,0,0,0|1,0,0]=3 10576 B12R1.372 COCCNCc1sccc1Br 207a_100000209980_100000766043 [0,2,0,0,0,0|1,1,0]=4 10577 B12R1.372 COCCNCc1sccc1Br 270004a_100000209980_100000766043 [0,2,0,0,0,0|1,1,0]=4 10578 B12R1.372 COCCNCc1sccc1C 207a_100000209980_100000210881 [0,2,0,0,0,0|1,1,0]=4 10579 B12R1.372 COCCNCc1sccc1C 2230a_100000238519_100011201679 [0,2,0,0,0,0|1,1,0]=4 10580 B12R1.372 COCCNCc1sccc1C 270004a_100000209980_100000210881 [0,2,0,0,0,0|1,1,0]=4 10581 B12R1.372 COCCNCc1sccc1C 34a_100000189083_200000210301 [0,2,0,0,0,0|1,1,0]=4 10582 B12R1.372 COCCNCc1sccc1C 34a_100000238519_100011201679 [0,2,0,0,0,0|1,1,0]=4 10583 B12R1.372 COCCNCc1sccc1Cl 207a_100000209980_100000722334 [0,2,0,0,0,0|1,1,0]=4 10584 B12R1.372 COCCNCc1sccc1Cl 2230a_100011934584_100011201679 [0,2,0,0,0,0|1,1,0]=4 10585 B12R1.372 COCCNCc1sccc1Cl 270004a_100000209980_100000722334 [0,2,0,0,0,0|1,1,0]=4 10586 B12R1.372 COCCNCc1sccc1Cl 34a_100011934584_100011201679 [0,2,0,0,0,0|1,1,0]=4 10587 B12R1.372 COCCOCc1occc1C 34a_100011273948_100011201679 [0,2,0,0,0,0|1,0,0]=3 10588 B12R1.372 COCCOCc1occc1C 7a_100011273948_100000233755 [0,2,0,0,0,0|1,0,0]=3 10589 B12R1.372 COCCOCc1ocnc1C 34a_100000717716_100011201679 [0,2,0,0,0,0|2,0,0]=4 10590 B12R1.372 COCCOCc1ocnc1C 7a_100000717716_100000233755 [0,2,0,0,0,0|2,0,0]=4 10591 B12R1.372 COCCOCc1oncc1C 34a_200011065769_100011201679 [0,2,0,0,0,0|2,0,0]=4 10592 B12R1.372 COCCOCc1sccc1Br 34a_100000702026_100011201679 [0,2,0,0,0,0|1,1,0]=4 10593 B12R1.372 COCCOCc1sccc1C 34a_100000238368_100011201679 [0,2,0,0,0,0|1,1,0]=4 10594 B12R1.372 COCCOCc1sccc1C 7a_100000238368_100000233755 [0,2,0,0,0,0|1,1,0]=4 10595 B12R1.372 COCCOCc1sccc1Cl 34a_100000722387_100011201679 [0,2,0,0,0,0|1,1,0]=4 10596 B12R1.372 COCCOCc1sccc1Cl 7a_100000722387_100000233755 [0,2,0,0,0,0|1,1,0]=4 10597 B12R1.372 COCNCCc1cccn1C 2230a_100011251756_100000766300 [0,2,0,0,0,0|2,0,0]=4 10598 B12R1.372 CSCCNCc1cccn1C 270004a_100020590264_100000211633 [0,2,0,0,0,0|2,0,0]=4 10599 B12R1.372 CSCCNCc1cccn1C 34a_100011219357_100000212216 [0,2,0,0,0,0|2,0,0]=4 10600 B12R1.372 CSCCNCc1occc1Br 270004a_100020590264_100000756499 [0,2,0,0,0,0|1,0,0]=3 10601 B12R1.372 CSCCNCc1occc1C 207a_100020590264_100000763527 [0,2,0,0,0,0|1,0,0]=3 10602 B12R1.372 CSCCNCc1occc1C 270004a_100020590264_100000763527 [0,2,0,0,0,0|1,0,0]=3 10603 B12R1.372 CSCCNCc1sccc1Br 207a_100020590264_100000766043 [0,2,0,0,0,0|1,1,0]=4 10604 B12R1.372 CSCCNCc1sccc1Br 270004a_100020590264_100000766043 [0,2,0,0,0,0|1,1,0]=4 10605 B12R1.372 CSCCNCc1sccc1C 207a_100020590264_100000210881 [0,2,0,0,0,0|1,1,0]=4 10606 B12R1.372 CSCCNCc1sccc1C 2230a_100000238519_100000751147 [0,2,0,0,0,0|1,1,0]=4 10607 B12R1.372 CSCCNCc1sccc1C 270004a_100020590264_100000210881 [0,2,0,0,0,0|1,1,0]=4 10608 B12R1.372 CSCCNCc1sccc1C 34a_100000238519_100000212216 [0,2,0,0,0,0|1,1,0]=4 10609 B12R1.372 CSCCNCc1sccc1Cl 207a_100020590264_100000722334 [0,2,0,0,0,0|1,1,0]=4 10610 B12R1.372 CSCCNCc1sccc1Cl 2230a_100011934584_100000751147 [0,2,0,0,0,0|1,1,0]=4 10611 B12R1.372 CSCCNCc1sccc1Cl 270004a_100020590264_100000722334 [0,2,0,0,0,0|1,1,0]=4 10612 B12R1.372 CSCCNCc1sccc1Cl 34a_100011934584_100000212216 [0,2,0,0,0,0|1,1,0]=4 10613 B12R1.372 CSCCOCc1occc1C 34a_100011273948_100000212216 [0,2,0,0,0,0|1,0,0]=3 10614 B12R1.372 CSCCOCc1occc1C 7a_100011273948_100000212216 [0,2,0,0,0,0|1,0,0]=3 10615 B12R1.372 CSCCOCc1ocnc1C 34a_100000717716_100000212216 [0,2,0,0,0,0|2,0,0]=4 10616 B12R1.372 CSCCOCc1ocnc1C 7a_100000717716_100000212216 [0,2,0,0,0,0|2,0,0]=4 10617 B12R1.372 CSCCOCc1oncc1C 34a_200011065769_100000212216 [0,2,0,0,0,0|2,0,0]=4 10618 B12R1.372 CSCCOCc1sccc1Br 34a_100000702026_100000212216 [0,2,0,0,0,0|1,1,0]=4 10619 B12R1.372 CSCCOCc1sccc1C 34a_100000238368_100000212216 [0,2,0,0,0,0|1,1,0]=4 10620 B12R1.372 CSCCOCc1sccc1C 7a_100000238368_100000212216 [0,2,0,0,0,0|1,1,0]=4 10621 B12R1.372 CSCCOCc1sccc1Cl 34a_100000722387_100000212216 [0,2,0,0,0,0|1,1,0]=4 10622 B12R1.372 CSCCOCc1sccc1Cl 7a_100000722387_100000212216 [0,2,0,0,0,0|1,1,0]=4 10623 B12R1.372 CSCNCCc1cccn1C 2230a_100011251756_100011218213 [0,2,0,0,0,0|2,0,0]=4 10624 B12R1.372 CSCNCCc1cccn1C 34a_100011251756_100011218213 [0,2,0,0,0,0|2,0,0]=4 10625 B12R1.372 Cc1ccoc1CNCCC#N 270004a_100000720768_100000763527 [0,2,0,0,0,0|1,0,1]=4 10626 B12R1.372 Cc1ccoc1CNCCCF 207a_100015189416_100000763527 [0,2,0,0,0,0|1,0,0]=3 10627 B12R1.372 Cc1ccoc1CNCCCF 270004a_100015189416_100000763527 [0,2,0,0,0,0|1,0,0]=3 10628 B12R1.372 Cc1ccoc1CNCCCO 207a_100000182051_100000763527 [0,2,0,0,0,0|1,0,0]=3 10629 B12R1.372 Cc1ccoc1CNCCCO 270004a_100000182051_100000763527 [0,2,0,0,0,0|1,0,0]=3 10630 B12R1.372 Cc1ccoc1COCCC#N 7a_100011273948_100000184422 [0,2,0,0,0,0|1,0,1]=4 10631 B12R1.372 Cc1ccoc1COCCCF 34a_100011273948_100011934791 [0,2,0,0,0,0|1,0,0]=3 10632 B12R1.372 Cc1ccoc1COCCCF 7a_100011273948_100011934791 [0,2,0,0,0,0|1,0,0]=3 10633 B12R1.372 Cc1ccoc1COCCCO 34a_100011273948_100000230001 [0,2,0,0,0,0|1,0,0]=3 10634 B12R1.372 Cc1ccoc1COCCCO 7a_100011273948_100011215043 [0,2,0,0,0,0|1,0,0]=3 10635 B12R1.372 Cc1ccsc1CNCCCF 207a_100015189416_100000210881 [0,2,0,0,0,0|1,1,0]=4 10636 B12R1.372 Cc1ccsc1CNCCCF 2230a_100000238519_100011934791 [0,2,0,0,0,0|1,1,0]=4 10637 B12R1.372 Cc1ccsc1CNCCCF 270004a_100015189416_100000210881 [0,2,0,0,0,0|1,1,0]=4 10638 B12R1.372 Cc1ccsc1CNCCCF 34a_100000238519_100011934791 [0,2,0,0,0,0|1,1,0]=4 10639 B12R1.372 Cc1ccsc1CNCCCO 207a_100000182051_100000210881 [0,2,0,0,0,0|1,1,0]=4 10640 B12R1.372 Cc1ccsc1CNCCCO 2230a_100000238519_100000230001 [0,2,0,0,0,0|1,1,0]=4 10641 B12R1.372 Cc1ccsc1CNCCCO 270004a_100000182051_100000210881 [0,2,0,0,0,0|1,1,0]=4 10642 B12R1.372 Cc1ccsc1CNCCCO 34a_100000238519_100000230001 [0,2,0,0,0,0|1,1,0]=4 10643 B12R1.372 Cc1ccsc1CNCCO[13CH3] 34a_100000189083_200025704644 [0,2,0,0,0,0|1,1,0]=4 10644 B12R1.372 Cc1ccsc1COCCCF 34a_100000238368_100011934791 [0,2,0,0,0,0|1,1,0]=4 10645 B12R1.372 Cc1ccsc1COCCCF 7a_100000238368_100011934791 [0,2,0,0,0,0|1,1,0]=4 10646 B12R1.372 Cc1ccsc1COCCCO 34a_100000238368_100000230001 [0,2,0,0,0,0|1,1,0]=4 10647 B12R1.372 Cc1ccsc1COCCCO 7a_100000238368_100011215043 [0,2,0,0,0,0|1,1,0]=4 10648 B12R1.372 Cc1ccsc1SCCCCF 62a_100000729493_100010247149 [0,2,0,0,0,0|1,1,0]=4 10649 B12R1.372 Cc1ccsc1SCCCCF 62a_100010247149_100000729493 [0,2,0,0,0,0|1,1,0]=4 10650 B12R1.372 Cc1ccsc1SCCCCO 62a_100000210776_100010247149 [0,2,0,0,0,0|1,1,0]=4 10651 B12R1.372 Cc1ccsc1SCCCCO 62a_100010247149_100000210776 [0,2,0,0,0,0|1,1,0]=4 10652 B12R1.372 Cc1cnoc1COCCCF 34a_200011065769_100011934791 [0,2,0,0,0,0|2,0,0]=4 10653 B12R1.372 Cc1cnoc1COCCCO 34a_200011065769_100000230001 [0,2,0,0,0,0|2,0,0]=4 10654 B12R1.372 Cc1ncoc1COCCCF 34a_100000717716_100011934791 [0,2,0,0,0,0|2,0,0]=4 10655 B12R1.372 Cc1ncoc1COCCCF 7a_100000717716_100011934791 [0,2,0,0,0,0|2,0,0]=4 10656 B12R1.372 Cc1ncoc1COCCCO 34a_100000717716_100000230001 [0,2,0,0,0,0|2,0,0]=4 10657 B12R1.372 Cc1ncoc1COCCCO 7a_100000717716_100011215043 [0,2,0,0,0,0|2,0,0]=4 10658 B12R1.372 Cn1cccc1CCNCCF 2230a_100011251756_100011217306 [0,2,0,0,0,0|2,0,0]=4 10659 B12R1.372 Cn1cccc1CCNCCF 34a_100011251756_100011217306 [0,2,0,0,0,0|2,0,0]=4 10660 B12R1.372 Cn1cccc1CCNCCO 2230a_100011251756_100000211926 [0,2,0,0,0,0|2,0,0]=4 10661 B12R1.372 Cn1cccc1CCNCCO 34a_100011251756_100000211926 [0,2,0,0,0,0|2,0,0]=4 10662 B12R1.372 Cn1cccc1CNCCCF 270004a_100015189416_100000211633 [0,2,0,0,0,0|2,0,0]=4 10663 B12R1.372 Cn1cccc1CNCCCF 34a_100011219357_100011934791 [0,2,0,0,0,0|2,0,0]=4 10664 B12R1.372 Cn1cccc1CNCCCO 270004a_100000182051_100000211633 [0,2,0,0,0,0|2,0,0]=4 10665 B12R1.372 Cn1cccc1CNCCCO 34a_100011219357_100000230001 [0,2,0,0,0,0|2,0,0]=4 10666 B12R1.372 FCCCCSc1sccc1Br 62a_100000729493_100012361411 [0,2,0,0,0,0|1,1,0]=4 10667 B12R1.372 FCCCCSc1sccc1Br 62a_100012361411_100000729493 [0,2,0,0,0,0|1,1,0]=4 10668 B12R1.372 FCCCNCc1occc1Br 270004a_100015189416_100000756499 [0,2,0,0,0,0|1,0,0]=3 10669 B12R1.372 FCCCNCc1sccc1Br 207a_100015189416_100000766043 [0,2,0,0,0,0|1,1,0]=4 10670 B12R1.372 FCCCNCc1sccc1Br 270004a_100015189416_100000766043 [0,2,0,0,0,0|1,1,0]=4 10671 B12R1.372 FCCCNCc1sccc1Cl 207a_100015189416_100000722334 [0,2,0,0,0,0|1,1,0]=4 10672 B12R1.372 FCCCNCc1sccc1Cl 2230a_100011934584_100011934791 [0,2,0,0,0,0|1,1,0]=4 10673 B12R1.372 FCCCNCc1sccc1Cl 270004a_100015189416_100000722334 [0,2,0,0,0,0|1,1,0]=4 10674 B12R1.372 FCCCNCc1sccc1Cl 34a_100011934584_100011934791 [0,2,0,0,0,0|1,1,0]=4 10675 B12R1.372 FCCCOCc1sccc1Br 34a_100000702026_100011934791 [0,2,0,0,0,0|1,1,0]=4 10676 B12R1.372 FCCCOCc1sccc1Cl 34a_100000722387_100011934791 [0,2,0,0,0,0|1,1,0]=4 10677 B12R1.372 FCCCOCc1sccc1Cl 7a_100000722387_100011934791 [0,2,0,0,0,0|1,1,0]=4 10678 B12R1.372 N#CCCNCc1occc1Br 270004a_100000720768_100000756499 [0,2,0,0,0,0|1,0,1]=4 10679 B12R1.372 OCCCCSc1sccc1Br 62a_100000210776_100012361411 [0,2,0,0,0,0|1,1,0]=4 10680 B12R1.372 OCCCCSc1sccc1Br 62a_100012361411_100000210776 [0,2,0,0,0,0|1,1,0]=4 10681 B12R1.372 OCCCNCc1occc1Br 270004a_100000182051_100000756499 [0,2,0,0,0,0|1,0,0]=3 10682 B12R1.372 OCCCNCc1sccc1Br 207a_100000182051_100000766043 [0,2,0,0,0,0|1,1,0]=4 10683 B12R1.372 OCCCNCc1sccc1Br 270004a_100000182051_100000766043 [0,2,0,0,0,0|1,1,0]=4 10684 B12R1.372 OCCCNCc1sccc1Cl 207a_100000182051_100000722334 [0,2,0,0,0,0|1,1,0]=4 10685 B12R1.372 OCCCNCc1sccc1Cl 2230a_100011934584_100000230001 [0,2,0,0,0,0|1,1,0]=4 10686 B12R1.372 OCCCNCc1sccc1Cl 270004a_100000182051_100000722334 [0,2,0,0,0,0|1,1,0]=4 10687 B12R1.372 OCCCNCc1sccc1Cl 34a_100011934584_100000230001 [0,2,0,0,0,0|1,1,0]=4 10688 B12R1.372 OCCCOCc1sccc1Br 34a_100000702026_100000230001 [0,2,0,0,0,0|1,1,0]=4 10689 B12R1.372 OCCCOCc1sccc1Cl 34a_100000722387_100000230001 [0,2,0,0,0,0|1,1,0]=4 10690 B12R1.372 OCCCOCc1sccc1Cl 7a_100000722387_100011215043 [0,2,0,0,0,0|1,1,0]=4 10691 B12R1.477 C#CC(C)NCCc1ccco1 34a_100000694680_200000035995 [0,2,0,0,0,0|1,0,0]=3 10692 B12R1.477 C#CC(C)NCCc1cccs1 2230a_100000707721_100000748579 [0,2,0,0,0,0|1,1,0]=4 10693 B12R1.477 C#CC(C)NCCc1cccs1 34a_100000203755_200000035995 [0,2,0,0,0,0|1,1,0]=4 10694 B12R1.477 C#CC(C)NCCc1cccs1 34a_100000707721_100000748579 [0,2,0,0,0,0|1,1,0]=4 10695 B12R1.477 C#CC(C)OCCc1cccs1 34a_100011216825_200000035995 [0,2,0,0,0,0|1,1,0]=4 10696 B12R1.477 C#CC(C)SCCc1cccs1 62a_200000035995_100000748579 [0,2,0,0,0,0|1,1,0]=4 10697 B12R1.477 C#C[C@@H](C)OCCc1cccs1 34a_100009815206_100000748579 [0,2,0,0,0,0|1,1,0]=4 10698 B12R1.477 C#C[C@@H](C)OCCc1cccs1 7a_100009815206_100000748579 [0,2,0,0,0,0|1,1,0]=4 10699 B12R1.477 C=CC(C)COCc1ncco1 34a_100011215527_103436540062 [0,2,0,0,0,0|2,0,0]=4 10700 B12R1.477 C=CC(C)COCc1ncco1 7a_100011215527_103436540062 [0,2,0,0,0,0|2,0,0]=4 10701 B12R1.477 C=CC(C)OCCc1cccs1 34a_100000695699_100000748579 [0,2,0,0,0,0|1,1,0]=4 10702 B12R1.477 C=CC(C)SCCc1cccs1 62a_100011215867_100000748579 [0,2,0,0,0,0|1,1,0]=4 10703 B12R1.477 C=CC(O)CNCc1ccco1 2230a_100000185738_100000730141 [0,2,0,0,0,0|0,0,2]=4 10704 B12R1.477 C=CC(O)CNCc1ccco1 34a_100000185738_100000730141 [0,2,0,0,0,0|0,0,2]=4 10705 B12R1.477 C=CC(O)COCc1ccco1 34a_100000210059_100000730141 [0,2,0,0,0,0|0,0,2]=4 10706 B12R1.477 CC(C#N)NCCc1ccco1 2230a_100000694680_100000184139 [0,2,0,0,0,0|1,0,0]=3 10707 B12R1.477 CC(C#N)NCCc1cccs1 2230a_100000203755_100000184139 [0,2,0,0,0,0|1,1,0]=4 10708 B12R1.477 CC(C#N)NCCc1cccs1 2230a_100000737613_100000748579 [0,2,0,0,0,0|1,1,0]=4 10709 B12R1.477 CC(C#N)OCCc1cccs1 34a_100011218135_100000748579 [0,2,0,0,0,0|1,1,0]=4 10710 B12R1.477 CC(C#N)OCCc1cccs1 7a_100011216825_100000703298 [0,2,0,0,0,0|1,1,0]=4 10711 B12R1.477 CC(C#N)SCCc1cccs1 62a_100000703298_100000748579 [0,2,0,0,0,0|1,1,0]=4 10712 B12R1.477 CC(C#N)SCCc1cccs1 62a_100000748579_100000703298 [0,2,0,0,0,0|1,1,0]=4 10713 B12R1.477 CC(CF)OCCc1cccs1 34a_100016041109_100000748579 [0,2,0,0,0,0|1,1,0]=4 10714 B12R1.477 CC(CF)OCCc1cccs1 7a_100016041109_100000748579 [0,2,0,0,0,0|1,1,0]=4 10715 B12R1.477 CC(CN)COCc1ncco1 34a_100000744482_103436540062 [0,2,0,0,0,0|2,0,0]=4 10716 B12R1.477 CC(CN)OCCc1cccs1 34a_100000210904_100000748579 [0,2,0,0,0,0|1,1,0]=4 10717 B12R1.477 CC(CO)CNCc1ccco1 207a_100000744482_100000186105 [0,2,0,0,0,0|1,0,0]=3 10718 B12R1.477 CC(CO)CNCc1cccs1 207a_100000744482_100000209959 [0,2,0,0,0,0|1,1,0]=4 10719 B12R1.477 CC(CO)CNCc1ncco1 34a_100000744482_103436540062 [0,2,0,0,0,0|2,0,0]=4 10720 B12R1.477 CC(CO)NCCc1ccco1 2230a_100000694680_100012180447 [0,2,0,0,0,0|1,0,0]=3 10721 B12R1.477 CC(CO)NCCc1ccco1 34a_100000694680_100012180447 [0,2,0,0,0,0|1,0,0]=3 10722 B12R1.477 CC(CO)NCCc1cccs1 2230a_100000203755_100012180447 [0,2,0,0,0,0|1,1,0]=4 10723 B12R1.477 CC(CO)NCCc1cccs1 34a_100000203755_100012180447 [0,2,0,0,0,0|1,1,0]=4 10724 B12R1.477 CC(CO)OCCc1cccs1 34a_100011216825_100012180447 [0,2,0,0,0,0|1,1,0]=4 10725 B12R1.477 CC(CO)OCCc1cccs1 7a_100011216825_100012180447 [0,2,0,0,0,0|1,1,0]=4 10726 B12R1.477 CC(CO)SCCc1cccs1 62a_100012180447_100000748579 [0,2,0,0,0,0|1,1,0]=4 10727 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,2,0,0,0,0|0,1,0]=3 10728 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,2,0,0,0,0|0,1,0]=3 10729 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000210414_200009814367 [0,2,0,0,0,0|2,0,0]=4 10730 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000691410_100000210202 [0,2,0,0,0,0|2,0,0]=4 10731 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000210414_100000739983 [0,2,0,0,0,0|2,0,0]=4 10732 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000742828_100000210202 [0,2,0,0,0,0|2,0,0]=4 10733 B12R1.477 CCC(=O)COCc1ncco1 34a_100000725409_103436540062 [0,2,0,0,0,0|1,0,1]=4 10734 B12R1.477 CCC(=O)CSCc1ncco1 62a_100000747405_103436540062 [0,2,0,0,0,0|1,0,1]=4 10735 B12R1.477 CCC(=O)CSCc1ncco1 62a_103436540062_100000747405 [0,2,0,0,0,0|1,0,1]=4 10736 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,2,0,0,0,0|0,0,1]=3 10737 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,2,0,0,0,0|0,0,1]=3 10738 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,2,0,0,0,0|0,0,1]=3 10739 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,2,0,0,0,0|0,0,1]=3 10740 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,2,0,0,0,0|0,1,1]=4 10741 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,2,0,0,0,0|0,1,1]=4 10742 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,2,0,0,0,0|0,1,1]=4 10743 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,2,0,0,0,0|0,1,1]=4 10744 B12R1.477 CCC(C)CNCc1c[nH]cn1 2230a_100020588543_100000707719 [0,2,0,0,0,0|2,0,0]=4 10745 B12R1.477 CCC(C)CNCc1cc[nH]n1 207a_100020588543_100000738523 [0,2,0,0,0,0|2,0,0]=4 10746 B12R1.477 CCC(C)CNCc1cc[nH]n1 270004a_100020588543_100000738523 [0,2,0,0,0,0|2,0,0]=4 10747 B12R1.477 CCC(C)CNCc1ccco1 207a_100020588543_100000186105 [0,2,0,0,0,0|0,0,0]=2 10748 B12R1.477 CCC(C)CNCc1ccco1 2230a_100000185738_100000748023 [0,2,0,0,0,0|0,0,0]=2 10749 B12R1.477 CCC(C)CNCc1ccco1 270004a_100000185738_100000243153 [0,2,0,0,0,0|0,0,0]=2 10750 B12R1.477 CCC(C)CNCc1ccco1 270004a_100020588543_100000186105 [0,2,0,0,0,0|0,0,0]=2 10751 B12R1.477 CCC(C)CNCc1ccco1 34a_100000185738_100000748023 [0,2,0,0,0,0|0,0,0]=2 10752 B12R1.477 CCC(C)CNCc1cccs1 207a_100020588543_100000209959 [0,2,0,0,0,0|0,1,0]=3 10753 B12R1.477 CCC(C)CNCc1cccs1 2230a_100000211653_100000748023 [0,2,0,0,0,0|0,1,0]=3 10754 B12R1.477 CCC(C)CNCc1cccs1 270004a_100000211653_100000243153 [0,2,0,0,0,0|0,1,0]=3 10755 B12R1.477 CCC(C)CNCc1cccs1 270004a_100020588543_100000209959 [0,2,0,0,0,0|0,1,0]=3 10756 B12R1.477 CCC(C)CNCc1ccn[nH]1 2230a_100020588543_100000728653 [0,2,0,0,0,0|2,0,0]=4 10757 B12R1.477 CCC(C)CNCc1ccoc1 207a_100020588543_100011215517 [0,2,0,0,0,0|2,0,0]=4 10758 B12R1.477 CCC(C)CNCc1ccoc1 2230a_100015206860_100000748023 [0,2,0,0,0,0|2,0,0]=4 10759 B12R1.477 CCC(C)CNCc1ccoc1 270004a_100015206860_100000243153 [0,2,0,0,0,0|2,0,0]=4 10760 B12R1.477 CCC(C)CNCc1ccoc1 270004a_100020588543_100011215517 [0,2,0,0,0,0|2,0,0]=4 10761 B12R1.477 CCC(C)CNCc1ccoc1 34a_100015206860_100000748023 [0,2,0,0,0,0|2,0,0]=4 10762 B12R1.477 CCC(C)CNCc1ccon1 2230a_100020588543_100000234950 [0,2,0,0,0,0|2,0,0]=4 10763 B12R1.477 CCC(C)CNCc1ccon1 270004a_100000688301_100000243153 [0,2,0,0,0,0|2,0,0]=4 10764 B12R1.477 CCC(C)CNCc1ccsc1 207a_100020588543_100000188534 [0,2,0,0,0,0|2,0,0]=4 10765 B12R1.477 CCC(C)CNCc1ccsc1 2230a_100000186416_100000748023 [0,2,0,0,0,0|2,0,0]=4 10766 B12R1.477 CCC(C)CNCc1ccsc1 2230a_100020588543_100011261437 [0,2,0,0,0,0|2,0,0]=4 10767 B12R1.477 CCC(C)CNCc1ccsc1 270004a_100000186416_100000243153 [0,2,0,0,0,0|2,0,0]=4 10768 B12R1.477 CCC(C)CNCc1ccsc1 270004a_100020588543_100000188534 [0,2,0,0,0,0|2,0,0]=4 10769 B12R1.477 CCC(C)CNCc1ccsc1 34a_100000186416_100000748023 [0,2,0,0,0,0|2,0,0]=4 10770 B12R1.477 CCC(C)CNCc1cnc[nH]1 207a_100020588543_100000742939 [0,2,0,0,0,0|2,0,0]=4 10771 B12R1.477 CCC(C)CNCc1cnco1 270004a_100020588543_100000064291 [0,2,0,0,0,0|1,0,0]=3 10772 B12R1.477 CCC(C)CNCc1cnco1 270004a_100020634212_100000243153 [0,2,0,0,0,0|1,0,0]=3 10773 B12R1.477 CCC(C)CNCc1cncs1 207a_100020588543_100000749870 [0,2,0,0,0,0|1,1,0]=4 10774 B12R1.477 CCC(C)CNCc1cncs1 2230a_100016987365_100000748023 [0,2,0,0,0,0|1,1,0]=4 10775 B12R1.477 CCC(C)CNCc1cncs1 2230a_100020588543_100015185245 [0,2,0,0,0,0|1,1,0]=4 10776 B12R1.477 CCC(C)CNCc1cncs1 270004a_100016987365_100000243153 [0,2,0,0,0,0|1,1,0]=4 10777 B12R1.477 CCC(C)CNCc1cncs1 270004a_100020588543_100000749870 [0,2,0,0,0,0|1,1,0]=4 10778 B12R1.477 CCC(C)CNCc1cocn1 270004a_100015188801_100000243153 [0,2,0,0,0,0|2,0,0]=4 10779 B12R1.477 CCC(C)CNCc1cocn1 270004a_100020588543_100000050382 [0,2,0,0,0,0|2,0,0]=4 10780 B12R1.477 CCC(C)CNCc1cscn1 207a_100020588543_100000743575 [0,2,0,0,0,0|2,0,0]=4 10781 B12R1.477 CCC(C)CNCc1cscn1 2230a_100015185402_100000748023 [0,2,0,0,0,0|2,0,0]=4 10782 B12R1.477 CCC(C)CNCc1cscn1 2230a_100020588543_100000205941 [0,2,0,0,0,0|2,0,0]=4 10783 B12R1.477 CCC(C)CNCc1cscn1 270004a_100020588543_100000743575 [0,2,0,0,0,0|2,0,0]=4 10784 B12R1.477 CCC(C)CNCc1ncc[nH]1 207a_100020588543_100000743867 [0,2,0,0,0,0|2,0,0]=4 10785 B12R1.477 CCC(C)CNCc1ncc[nH]1 2230a_100020588543_100016991755 [0,2,0,0,0,0|2,0,0]=4 10786 B12R1.477 CCC(C)CNCc1ncc[nH]1 270004a_100000754540_100000243153 [0,2,0,0,0,0|2,0,0]=4 10787 B12R1.477 CCC(C)CNCc1ncco1 2230a_100016994969_100000748023 [0,2,0,0,0,0|1,0,0]=3 10788 B12R1.477 CCC(C)CNCc1ncco1 2230a_100020588543_103436540062 [0,2,0,0,0,0|1,0,0]=3 10789 B12R1.477 CCC(C)CNCc1ncco1 270004a_100020588543_100000064290 [0,2,0,0,0,0|1,0,0]=3 10790 B12R1.477 CCC(C)CNCc1nccs1 207a_100020588543_100000750902 [0,2,0,0,0,0|1,1,0]=4 10791 B12R1.477 CCC(C)CNCc1nccs1 2230a_100000740555_100000748023 [0,2,0,0,0,0|1,1,0]=4 10792 B12R1.477 CCC(C)CNCc1nccs1 2230a_100020588543_100015184050 [0,2,0,0,0,0|1,1,0]=4 10793 B12R1.477 CCC(C)CNCc1nccs1 270004a_100000740555_100000243153 [0,2,0,0,0,0|1,1,0]=4 10794 B12R1.477 CCC(C)CNCc1nccs1 270004a_100020588543_100000750902 [0,2,0,0,0,0|1,1,0]=4 10795 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [0,2,0,0,0,0|0,0,0]=2 10796 B12R1.477 CCC(C)COCc1cccs1 34a_100000211240_100000748023 [0,2,0,0,0,0|0,1,0]=3 10797 B12R1.477 CCC(C)COCc1ccno1 34a_100000740478_100000748023 [0,2,0,0,0,0|1,0,0]=3 10798 B12R1.477 CCC(C)COCc1ccoc1 34a_100011215357_100000748023 [0,2,0,0,0,0|2,0,0]=4 10799 B12R1.477 CCC(C)COCc1ccsc1 34a_100011215551_100000748023 [0,2,0,0,0,0|2,0,0]=4 10800 B12R1.477 CCC(C)COCc1ncco1 34a_100000062594_100000748023 [0,2,0,0,0,0|1,0,0]=3 10801 B12R1.477 CCC(C)COCn1cccn1 34a_100000731028_100000748023 [0,2,0,0,0,0|2,0,0]=4 10802 B12R1.477 CCC(C)CSCc1c[nH]cn1 62a_100000707719_100000748023 [0,2,0,0,0,0|2,0,0]=4 10803 B12R1.477 CCC(C)CSCc1c[nH]cn1 62a_100000748023_100000707719 [0,2,0,0,0,0|2,0,0]=4 10804 B12R1.477 CCC(C)CSCc1ccn[nH]1 62a_100000728653_100000748023 [0,2,0,0,0,0|2,0,0]=4 10805 B12R1.477 CCC(C)CSCc1ccn[nH]1 62a_100000748023_100000728653 [0,2,0,0,0,0|2,0,0]=4 10806 B12R1.477 CCC(C)CSCc1ccon1 62a_100000234950_100000748023 [0,2,0,0,0,0|2,0,0]=4 10807 B12R1.477 CCC(C)CSCc1ccon1 62a_100000748023_100000234950 [0,2,0,0,0,0|2,0,0]=4 10808 B12R1.477 CCC(C)CSCc1ccsc1 62a_100000748023_100011233845 [0,2,0,0,0,0|2,0,0]=4 10809 B12R1.477 CCC(C)CSCc1ccsc1 62a_100011261437_100000748023 [0,2,0,0,0,0|2,0,0]=4 10810 B12R1.477 CCC(C)CSCc1cncs1 62a_100000748023_100015185245 [0,2,0,0,0,0|1,1,0]=4 10811 B12R1.477 CCC(C)CSCc1cncs1 62a_100015185245_100000748023 [0,2,0,0,0,0|1,1,0]=4 10812 B12R1.477 CCC(C)CSCc1cscn1 62a_100000205941_100000748023 [0,2,0,0,0,0|2,0,0]=4 10813 B12R1.477 CCC(C)CSCc1cscn1 62a_100000748023_100000205941 [0,2,0,0,0,0|2,0,0]=4 10814 B12R1.477 CCC(C)CSCc1ncc[nH]1 62a_100000748023_100016991755 [0,2,0,0,0,0|2,0,0]=4 10815 B12R1.477 CCC(C)CSCc1ncc[nH]1 62a_100016991755_100000748023 [0,2,0,0,0,0|2,0,0]=4 10816 B12R1.477 CCC(C)CSCc1ncco1 62a_100000748023_103436540062 [0,2,0,0,0,0|1,0,0]=3 10817 B12R1.477 CCC(C)CSCc1ncco1 62a_103436540062_100000748023 [0,2,0,0,0,0|1,0,0]=3 10818 B12R1.477 CCC(C)CSCc1nccs1 62a_100000748023_100015184050 [0,2,0,0,0,0|1,1,0]=4 10819 B12R1.477 CCC(C)CSCc1nccs1 62a_100015184050_100000748023 [0,2,0,0,0,0|1,1,0]=4 10820 B12R1.477 CCC(C)NCCc1c[nH]cn1 2230a_100000209981_100020628418 [0,2,0,0,0,0|2,0,0]=4 10821 B12R1.477 CCC(C)NCCc1ccco1 2230a_100000694680_100000758301 [0,2,0,0,0,0|0,0,0]=2 10822 B12R1.477 CCC(C)NCCc1ccco1 34a_100000694680_100011215416 [0,2,0,0,0,0|0,0,0]=2 10823 B12R1.477 CCC(C)NCCc1cccs1 2230a_100000203755_100000758301 [0,2,0,0,0,0|0,1,0]=3 10824 B12R1.477 CCC(C)NCCc1cccs1 2230a_100000209981_100000748579 [0,2,0,0,0,0|0,1,0]=3 10825 B12R1.477 CCC(C)NCCc1cccs1 34a_100000203755_100011215416 [0,2,0,0,0,0|0,1,0]=3 10826 B12R1.477 CCC(C)NCCc1ccsc1 2230a_100000692642_100000758301 [0,2,0,0,0,0|2,0,0]=4 10827 B12R1.477 CCC(C)NCCc1ccsc1 34a_100000692642_100011215416 [0,2,0,0,0,0|2,0,0]=4 10828 B12R1.477 CCC(C)NCCc1cncs1 2230a_100016991637_100000758301 [0,2,0,0,0,0|1,1,0]=4 10829 B12R1.477 CCC(C)NCCc1nccs1 2230a_100015186391_100000758301 [0,2,0,0,0,0|1,1,0]=4 10830 B12R1.477 CCC(C)NCCn1cccc1 2230a_100000209981_200009811947 [0,2,0,0,0,0|2,0,0]=4 10831 B12R1.477 CCC(C)NCCn1cccc1 34a_100011368172_100011215416 [0,2,0,0,0,0|2,0,0]=4 10832 B12R1.477 CCC(C)NCCn1cccn1 2230a_100000209981_100000685285 [0,2,0,0,0,0|2,0,0]=4 10833 B12R1.477 CCC(C)NCCn1cccn1 2230a_100011200920_100000758301 [0,2,0,0,0,0|2,0,0]=4 10834 B12R1.477 CCC(C)NN=Cc1ccco1 4a_100000718999_100000186105 [0,2,0,0,0,0|1,0,1]=4 10835 B12R1.477 CCC(C)OCCc1c[nH]cn1 7a_100000210228_100020628418 [0,2,0,0,0,0|2,0,0]=4 10836 B12R1.477 CCC(C)OCCc1cccs1 34a_100011216825_100011215416 [0,2,0,0,0,0|0,1,0]=3 10837 B12R1.477 CCC(C)OCCc1cccs1 7a_100000210228_100000748579 [0,2,0,0,0,0|0,1,0]=3 10838 B12R1.477 CCC(C)OCCc1cccs1 7a_100011216825_100000758301 [0,2,0,0,0,0|0,1,0]=3 10839 B12R1.477 CCC(C)OCCc1ccsc1 34a_100000748821_100011215416 [0,2,0,0,0,0|2,0,0]=4 10840 B12R1.477 CCC(C)OCCc1ncc[nH]1 34a_103549771195_100011215416 [0,2,0,0,0,0|2,0,0]=4 10841 B12R1.477 CCC(C)OCCn1cccc1 34a_100000179382_100011215416 [0,2,0,0,0,0|2,0,0]=4 10842 B12R1.477 CCC(C)OCCn1cccc1 7a_100000210228_200000035178 [0,2,0,0,0,0|2,0,0]=4 10843 B12R1.477 CCC(C)OCCn1cccn1 34a_100000743371_100011215416 [0,2,0,0,0,0|2,0,0]=4 10844 B12R1.477 CCC(C)OCCn1cccn1 7a_100000210228_100000685285 [0,2,0,0,0,0|2,0,0]=4 10845 B12R1.477 CCC(C)SCCc1c[nH]cn1 62a_100000758301_100020628418 [0,2,0,0,0,0|2,0,0]=4 10846 B12R1.477 CCC(C)SCCc1c[nH]cn1 62a_100020628418_100000758301 [0,2,0,0,0,0|2,0,0]=4 10847 B12R1.477 CCC(C)SCCc1cccs1 62a_100000748579_100000758301 [0,2,0,0,0,0|0,1,0]=3 10848 B12R1.477 CCC(C)SCCc1cccs1 62a_100000758301_100000748579 [0,2,0,0,0,0|0,1,0]=3 10849 B12R1.477 CCC(C)SCCn1cccc1 62a_100000758301_200000035178 [0,2,0,0,0,0|2,0,0]=4 10850 B12R1.477 CCC(C)SCCn1cccc1 62a_200009811947_100000758301 [0,2,0,0,0,0|2,0,0]=4 10851 B12R1.477 CCC(C)SCCn1cccn1 62a_100000758301_100000685285 [0,2,0,0,0,0|2,0,0]=4 10852 B12R1.477 CCC(C)SCCn1cccn1 62a_100015204718_100000758301 [0,2,0,0,0,0|2,0,0]=4 10853 B12R1.477 CCC(O)CNCc1c[nH]cn1 2230a_100011218483_100000707719 [0,2,0,0,0,0|2,0,0]=4 10854 B12R1.477 CCC(O)CNCc1cc[nH]n1 207a_100011218483_100000738523 [0,2,0,0,0,0|2,0,0]=4 10855 B12R1.477 CCC(O)CNCc1cc[nH]n1 270004a_100011218483_100000738523 [0,2,0,0,0,0|2,0,0]=4 10856 B12R1.477 CCC(O)CNCc1ccco1 207a_100011218483_100000186105 [0,2,0,0,0,0|0,0,0]=2 10857 B12R1.477 CCC(O)CNCc1ccco1 2230a_100000185738_100011218378 [0,2,0,0,0,0|0,0,0]=2 10858 B12R1.477 CCC(O)CNCc1ccco1 270004a_100011218483_100000186105 [0,2,0,0,0,0|0,0,0]=2 10859 B12R1.477 CCC(O)CNCc1ccco1 34a_100000185738_100011218378 [0,2,0,0,0,0|0,0,0]=2 10860 B12R1.477 CCC(O)CNCc1cccs1 207a_100011218483_100000209959 [0,2,0,0,0,0|0,1,0]=3 10861 B12R1.477 CCC(O)CNCc1cccs1 2230a_100000211653_100011218378 [0,2,0,0,0,0|0,1,0]=3 10862 B12R1.477 CCC(O)CNCc1cccs1 270004a_100011218483_100000209959 [0,2,0,0,0,0|0,1,0]=3 10863 B12R1.477 CCC(O)CNCc1ccn[nH]1 2230a_100011218483_100000728653 [0,2,0,0,0,0|2,0,0]=4 10864 B12R1.477 CCC(O)CNCc1ccoc1 207a_100011218483_100011215517 [0,2,0,0,0,0|2,0,0]=4 10865 B12R1.477 CCC(O)CNCc1ccoc1 2230a_100015206860_100011218378 [0,2,0,0,0,0|2,0,0]=4 10866 B12R1.477 CCC(O)CNCc1ccoc1 270004a_100011218483_100011215517 [0,2,0,0,0,0|2,0,0]=4 10867 B12R1.477 CCC(O)CNCc1ccoc1 34a_100015206860_100011218378 [0,2,0,0,0,0|2,0,0]=4 10868 B12R1.477 CCC(O)CNCc1ccon1 2230a_100011218483_100000234950 [0,2,0,0,0,0|2,0,0]=4 10869 B12R1.477 CCC(O)CNCc1ccsc1 207a_100011218483_100000188534 [0,2,0,0,0,0|2,0,0]=4 10870 B12R1.477 CCC(O)CNCc1ccsc1 2230a_100000186416_100011218378 [0,2,0,0,0,0|2,0,0]=4 10871 B12R1.477 CCC(O)CNCc1ccsc1 2230a_100011218483_100011261437 [0,2,0,0,0,0|2,0,0]=4 10872 B12R1.477 CCC(O)CNCc1ccsc1 270004a_100011218483_100000188534 [0,2,0,0,0,0|2,0,0]=4 10873 B12R1.477 CCC(O)CNCc1ccsc1 34a_100000186416_100011218378 [0,2,0,0,0,0|2,0,0]=4 10874 B12R1.477 CCC(O)CNCc1cnc[nH]1 207a_100011218483_100000742939 [0,2,0,0,0,0|2,0,0]=4 10875 B12R1.477 CCC(O)CNCc1cnco1 270004a_100011218483_100000064291 [0,2,0,0,0,0|1,0,0]=3 10876 B12R1.477 CCC(O)CNCc1cncs1 207a_100011218483_100000749870 [0,2,0,0,0,0|1,1,0]=4 10877 B12R1.477 CCC(O)CNCc1cncs1 2230a_100011218483_100015185245 [0,2,0,0,0,0|1,1,0]=4 10878 B12R1.477 CCC(O)CNCc1cncs1 2230a_100016987365_100011218378 [0,2,0,0,0,0|1,1,0]=4 10879 B12R1.477 CCC(O)CNCc1cncs1 270004a_100011218483_100000749870 [0,2,0,0,0,0|1,1,0]=4 10880 B12R1.477 CCC(O)CNCc1cocn1 270004a_100011218483_100000050382 [0,2,0,0,0,0|2,0,0]=4 10881 B12R1.477 CCC(O)CNCc1cscn1 207a_100011218483_100000743575 [0,2,0,0,0,0|2,0,0]=4 10882 B12R1.477 CCC(O)CNCc1cscn1 2230a_100011218483_100000205941 [0,2,0,0,0,0|2,0,0]=4 10883 B12R1.477 CCC(O)CNCc1cscn1 2230a_100015185402_100011218378 [0,2,0,0,0,0|2,0,0]=4 10884 B12R1.477 CCC(O)CNCc1cscn1 270004a_100011218483_100000743575 [0,2,0,0,0,0|2,0,0]=4 10885 B12R1.477 CCC(O)CNCc1ncc[nH]1 207a_100011218483_100000743867 [0,2,0,0,0,0|2,0,0]=4 10886 B12R1.477 CCC(O)CNCc1ncc[nH]1 2230a_100011218483_100016991755 [0,2,0,0,0,0|2,0,0]=4 10887 B12R1.477 CCC(O)CNCc1ncco1 2230a_100011218483_103436540062 [0,2,0,0,0,0|1,0,0]=3 10888 B12R1.477 CCC(O)CNCc1ncco1 2230a_100016994969_100011218378 [0,2,0,0,0,0|1,0,0]=3 10889 B12R1.477 CCC(O)CNCc1ncco1 270004a_100011218483_100000064290 [0,2,0,0,0,0|1,0,0]=3 10890 B12R1.477 CCC(O)CNCc1nccs1 207a_100011218483_100000750902 [0,2,0,0,0,0|1,1,0]=4 10891 B12R1.477 CCC(O)CNCc1nccs1 2230a_100000740555_100011218378 [0,2,0,0,0,0|1,1,0]=4 10892 B12R1.477 CCC(O)CNCc1nccs1 2230a_100011218483_100015184050 [0,2,0,0,0,0|1,1,0]=4 10893 B12R1.477 CCC(O)CNCc1nccs1 270004a_100011218483_100000750902 [0,2,0,0,0,0|1,1,0]=4 10894 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [0,2,0,0,0,0|0,0,0]=2 10895 B12R1.477 CCC(O)COCc1cccs1 34a_100000211240_100011218378 [0,2,0,0,0,0|0,1,0]=3 10896 B12R1.477 CCC(O)COCc1ccno1 34a_100000740478_100011218378 [0,2,0,0,0,0|1,0,0]=3 10897 B12R1.477 CCC(O)COCc1ccoc1 34a_100011215357_100011218378 [0,2,0,0,0,0|2,0,0]=4 10898 B12R1.477 CCC(O)COCc1ccsc1 34a_100011215551_100011218378 [0,2,0,0,0,0|2,0,0]=4 10899 B12R1.477 CCC(O)COCc1ncco1 34a_100000062594_100011218378 [0,2,0,0,0,0|1,0,0]=3 10900 B12R1.477 CCC(O)COCn1cccn1 34a_100000731028_100011218378 [0,2,0,0,0,0|2,0,0]=4 10901 B12R1.477 CCC(O)CSCc1c[nH]cn1 62a_100000707719_100011218378 [0,2,0,0,0,0|2,0,0]=4 10902 B12R1.477 CCC(O)CSCc1c[nH]cn1 62a_100011218378_100000707719 [0,2,0,0,0,0|2,0,0]=4 10903 B12R1.477 CCC(O)CSCc1ccn[nH]1 62a_100000728653_100011218378 [0,2,0,0,0,0|2,0,0]=4 10904 B12R1.477 CCC(O)CSCc1ccn[nH]1 62a_100011218378_100000728653 [0,2,0,0,0,0|2,0,0]=4 10905 B12R1.477 CCC(O)CSCc1ccon1 62a_100000234950_100011218378 [0,2,0,0,0,0|2,0,0]=4 10906 B12R1.477 CCC(O)CSCc1ccon1 62a_100011218378_100000234950 [0,2,0,0,0,0|2,0,0]=4 10907 B12R1.477 CCC(O)CSCc1ccsc1 62a_100011218378_100011233845 [0,2,0,0,0,0|2,0,0]=4 10908 B12R1.477 CCC(O)CSCc1ccsc1 62a_100011261437_100011218378 [0,2,0,0,0,0|2,0,0]=4 10909 B12R1.477 CCC(O)CSCc1cncs1 62a_100011218378_100015185245 [0,2,0,0,0,0|1,1,0]=4 10910 B12R1.477 CCC(O)CSCc1cncs1 62a_100015185245_100011218378 [0,2,0,0,0,0|1,1,0]=4 10911 B12R1.477 CCC(O)CSCc1cscn1 62a_100000205941_100011218378 [0,2,0,0,0,0|2,0,0]=4 10912 B12R1.477 CCC(O)CSCc1cscn1 62a_100011218378_100000205941 [0,2,0,0,0,0|2,0,0]=4 10913 B12R1.477 CCC(O)CSCc1ncc[nH]1 62a_100011218378_100016991755 [0,2,0,0,0,0|2,0,0]=4 10914 B12R1.477 CCC(O)CSCc1ncc[nH]1 62a_100016991755_100011218378 [0,2,0,0,0,0|2,0,0]=4 10915 B12R1.477 CCC(O)CSCc1ncco1 62a_100011218378_103436540062 [0,2,0,0,0,0|1,0,0]=3 10916 B12R1.477 CCC(O)CSCc1ncco1 62a_103436540062_100011218378 [0,2,0,0,0,0|1,0,0]=3 10917 B12R1.477 CCC(O)CSCc1nccs1 62a_100011218378_100015184050 [0,2,0,0,0,0|1,1,0]=4 10918 B12R1.477 CCC(O)CSCc1nccs1 62a_100015184050_100011218378 [0,2,0,0,0,0|1,1,0]=4 10919 B12R1.477 CCN(C)CCCc1cccs1 2230a_100000225621_100010992444 [0,2,0,0,0,0|0,1,0]=3 10920 B12R1.477 CCN(C)CCCc1cccs1 269982a_100000225621_100010992444 [0,2,0,0,0,0|0,1,0]=3 10921 B12R1.477 CCN(C)CCCn1cccc1 2230a_100000225621_200009814367 [0,2,0,0,0,0|2,0,0]=4 10922 B12R1.477 CCN(C)CCCn1cccc1 269982a_100000225621_200009814367 [0,2,0,0,0,0|2,0,0]=4 10923 B12R1.477 CCN(C)CCCn1cccn1 2230a_100000225621_100000739983 [0,2,0,0,0,0|2,0,0]=4 10924 B12R1.477 CCN(C)CCCn1cccn1 269982a_100000225621_100000739983 [0,2,0,0,0,0|2,0,0]=4 10925 B12R1.477 CC[C@H](C)CNCc1ccco1 2230a_100000185738_100009816398 [0,2,0,0,0,0|0,0,0]=2 10926 B12R1.477 CC[C@H](C)CNCc1ccco1 34a_100000185738_100009816398 [0,2,0,0,0,0|0,0,0]=2 10927 B12R1.477 CC[C@H](C)CNCc1cccs1 2230a_100000211653_100009816398 [0,2,0,0,0,0|0,1,0]=3 10928 B12R1.477 CC[C@H](C)CNCc1ccoc1 2230a_100015206860_100009816398 [0,2,0,0,0,0|2,0,0]=4 10929 B12R1.477 CC[C@H](C)CNCc1ccoc1 34a_100015206860_100009816398 [0,2,0,0,0,0|2,0,0]=4 10930 B12R1.477 CC[C@H](C)CNCc1ccsc1 2230a_100000186416_100009816398 [0,2,0,0,0,0|2,0,0]=4 10931 B12R1.477 CC[C@H](C)CNCc1ccsc1 34a_100000186416_100009816398 [0,2,0,0,0,0|2,0,0]=4 10932 B12R1.477 CC[C@H](C)CNCc1cncs1 2230a_100016987365_100009816398 [0,2,0,0,0,0|1,1,0]=4 10933 B12R1.477 CC[C@H](C)CNCc1cscn1 2230a_100015185402_100009816398 [0,2,0,0,0,0|2,0,0]=4 10934 B12R1.477 CC[C@H](C)CNCc1ncco1 2230a_100016994969_100009816398 [0,2,0,0,0,0|1,0,0]=3 10935 B12R1.477 CC[C@H](C)CNCc1nccs1 2230a_100000740555_100009816398 [0,2,0,0,0,0|1,1,0]=4 10936 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [0,2,0,0,0,0|0,0,0]=2 10937 B12R1.477 CC[C@H](C)COCc1cccs1 34a_100000211240_100009816398 [0,2,0,0,0,0|0,1,0]=3 10938 B12R1.477 CC[C@H](C)COCc1ccn[nH]1 7a_100009816381_100000728653 [0,2,0,0,0,0|2,0,0]=4 10939 B12R1.477 CC[C@H](C)COCc1ccno1 34a_100000740478_100009816398 [0,2,0,0,0,0|1,0,0]=3 10940 B12R1.477 CC[C@H](C)COCc1ccoc1 34a_100011215357_100009816398 [0,2,0,0,0,0|2,0,0]=4 10941 B12R1.477 CC[C@H](C)COCc1ccon1 7a_100009816381_100000234950 [0,2,0,0,0,0|2,0,0]=4 10942 B12R1.477 CC[C@H](C)COCc1ccsc1 34a_100011215551_100009816398 [0,2,0,0,0,0|2,0,0]=4 10943 B12R1.477 CC[C@H](C)COCc1ccsc1 7a_100009816381_100011261437 [0,2,0,0,0,0|2,0,0]=4 10944 B12R1.477 CC[C@H](C)COCc1cncs1 7a_100009816381_100015185245 [0,2,0,0,0,0|1,1,0]=4 10945 B12R1.477 CC[C@H](C)COCc1cscn1 7a_100009816381_100000205941 [0,2,0,0,0,0|2,0,0]=4 10946 B12R1.477 CC[C@H](C)COCc1ncc[nH]1 7a_100009816381_100000753453 [0,2,0,0,0,0|2,0,0]=4 10947 B12R1.477 CC[C@H](C)COCc1ncco1 34a_100000062594_100009816398 [0,2,0,0,0,0|1,0,0]=3 10948 B12R1.477 CC[C@H](C)COCc1ncco1 7a_100009816381_103436540062 [0,2,0,0,0,0|1,0,0]=3 10949 B12R1.477 CC[C@H](C)COCc1nccs1 7a_100009816381_100015184050 [0,2,0,0,0,0|1,1,0]=4 10950 B12R1.477 CC[C@H](C)COCn1cccn1 34a_100000731028_100009816398 [0,2,0,0,0,0|2,0,0]=4 10951 B12R1.477 CC[C@H](C)CSCc1c[nH]cn1 62a_100000707719_100009816398 [0,2,0,0,0,0|2,0,0]=4 10952 B12R1.477 CC[C@H](C)CSCc1c[nH]cn1 62a_100009816398_100000707719 [0,2,0,0,0,0|2,0,0]=4 10953 B12R1.477 CC[C@H](C)CSCc1ccn[nH]1 62a_100000728653_100009816398 [0,2,0,0,0,0|2,0,0]=4 10954 B12R1.477 CC[C@H](C)CSCc1ccn[nH]1 62a_100009816398_100000728653 [0,2,0,0,0,0|2,0,0]=4 10955 B12R1.477 CC[C@H](C)CSCc1ccon1 62a_100000234950_100009816398 [0,2,0,0,0,0|2,0,0]=4 10956 B12R1.477 CC[C@H](C)CSCc1ccon1 62a_100009816398_100000234950 [0,2,0,0,0,0|2,0,0]=4 10957 B12R1.477 CC[C@H](C)CSCc1ccsc1 62a_100009816398_100011233845 [0,2,0,0,0,0|2,0,0]=4 10958 B12R1.477 CC[C@H](C)CSCc1ccsc1 62a_100011261437_100009816398 [0,2,0,0,0,0|2,0,0]=4 10959 B12R1.477 CC[C@H](C)CSCc1cncs1 62a_100009816398_100015185245 [0,2,0,0,0,0|1,1,0]=4 10960 B12R1.477 CC[C@H](C)CSCc1cncs1 62a_100015185245_100009816398 [0,2,0,0,0,0|1,1,0]=4 10961 B12R1.477 CC[C@H](C)CSCc1cscn1 62a_100000205941_100009816398 [0,2,0,0,0,0|2,0,0]=4 10962 B12R1.477 CC[C@H](C)CSCc1cscn1 62a_100009816398_100000205941 [0,2,0,0,0,0|2,0,0]=4 10963 B12R1.477 CC[C@H](C)CSCc1ncc[nH]1 62a_100009816398_100016991755 [0,2,0,0,0,0|2,0,0]=4 10964 B12R1.477 CC[C@H](C)CSCc1ncc[nH]1 62a_100016991755_100009816398 [0,2,0,0,0,0|2,0,0]=4 10965 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_100009816398_103436540062 [0,2,0,0,0,0|1,0,0]=3 10966 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_103436540062_100009816398 [0,2,0,0,0,0|1,0,0]=3 10967 B12R1.477 CC[C@H](C)CSCc1nccs1 62a_100009816398_100015184050 [0,2,0,0,0,0|1,1,0]=4 10968 B12R1.477 CC[C@H](C)CSCc1nccs1 62a_100015184050_100009816398 [0,2,0,0,0,0|1,1,0]=4 10969 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,2,0,0,0,0|0,1,1]=4 10970 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,2,0,0,0,0|0,1,1]=4 10971 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,2,0,0,0,0|0,1,1]=4 10972 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,2,0,0,0,0|0,1,1]=4 10973 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,2,0,0,0,0|1,0,1]=4 10974 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,2,0,0,0,0|1,0,1]=4 10975 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,2,0,0,0,0|1,0,1]=4 10976 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,2,0,0,0,0|1,0,1]=4 10977 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,2,0,0,0,0|1,0,1]=4 10978 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,2,0,0,0,0|1,0,1]=4 10979 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,2,0,0,0,0|1,0,1]=4 10980 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,2,0,0,0,0|1,0,1]=4 10981 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,2,0,0,0,0|1,0,1]=4 10982 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,2,0,0,0,0|1,0,1]=4 10983 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,2,0,0,0,0|1,0,1]=4 10984 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,2,0,0,0,0|1,0,1]=4 10985 B12R1.477 CNC(C)CSCc1ccco1 270004a_106832991635_200000149978 [0,2,0,0,0,0|1,0,0]=3 10986 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,2,0,0,0,0|1,0,1]=4 10987 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,2,0,0,0,0|1,0,1]=4 10988 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,2,0,0,0,0|1,0,1]=4 10989 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,2,0,0,0,0|1,0,1]=4 10990 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,2,0,0,0,0|1,0,1]=4 10991 B12R1.477 COC(C)COCc1ncco1 34a_100000690652_103436540062 [0,2,0,0,0,0|2,0,0]=4 10992 B12R1.477 COC(C)SCCc1cccs1 62a_100000748579_100009879195 [0,2,0,0,0,0|1,1,0]=4 10993 B12R1.477 COC(C)SCCc1cccs1 62a_100009879195_100000748579 [0,2,0,0,0,0|1,1,0]=4 10994 B12R1.477 CO[C@H](C)CNCc1ccco1 207a_100020591295_100000186105 [0,2,0,0,0,0|1,0,0]=3 10995 B12R1.477 CO[C@H](C)CNCc1ccco1 270004a_100020591295_100000186105 [0,2,0,0,0,0|1,0,0]=3 10996 B12R1.477 CO[C@H](C)CNCc1cccs1 207a_100020591295_100000209959 [0,2,0,0,0,0|1,1,0]=4 10997 B12R1.477 CO[C@H](C)CNCc1cccs1 270004a_100020591295_100000209959 [0,2,0,0,0,0|1,1,0]=4 10998 B12R1.477 CO[C@H](C)CNCc1cnco1 270004a_100020591295_100000064291 [0,2,0,0,0,0|2,0,0]=4 10999 B12R1.477 CO[C@H](C)CNCc1ncco1 2230a_100020591295_103436540062 [0,2,0,0,0,0|2,0,0]=4 11000 B12R1.477 CO[C@H](C)CNCc1ncco1 270004a_100020591295_100000064290 [0,2,0,0,0,0|2,0,0]=4 11001 B12R1.477 C[C@@H](CO)CNCc1ccco1 2230a_100000185738_100000059175 [0,2,0,0,0,0|1,0,0]=3 11002 B12R1.477 C[C@@H](CO)CNCc1ccco1 34a_100000185738_100000059175 [0,2,0,0,0,0|1,0,0]=3 11003 B12R1.477 C[C@@H](CO)CNCc1cccs1 2230a_100000211653_100000059175 [0,2,0,0,0,0|1,1,0]=4 11004 B12R1.477 C[C@@H](CO)CNCc1ncco1 2230a_100016994969_100000059175 [0,2,0,0,0,0|2,0,0]=4 11005 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [0,2,0,0,0,0|1,0,0]=3 11006 B12R1.477 C[C@@H](CO)COCc1cccs1 34a_100000211240_100000059175 [0,2,0,0,0,0|1,1,0]=4 11007 B12R1.477 C[C@@H](CO)COCc1ccno1 34a_100000740478_100000059175 [0,2,0,0,0,0|2,0,0]=4 11008 B12R1.477 C[C@@H](CO)COCc1ncco1 34a_100000062594_100000059175 [0,2,0,0,0,0|2,0,0]=4 11009 B12R1.477 C[C@@H](CO)CSCc1ncco1 62a_100000059175_103436540062 [0,2,0,0,0,0|2,0,0]=4 11010 B12R1.477 C[C@@H](CO)CSCc1ncco1 62a_103436540062_100000059175 [0,2,0,0,0,0|2,0,0]=4 11011 B12R1.477 C[C@H](CO)NCCc1cccs1 2230a_100000737577_100000748579 [0,2,0,0,0,0|1,1,0]=4 11012 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100000748579_100016084084 [0,2,0,0,0,0|1,1,0]=4 11013 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100016084084_100000748579 [0,2,0,0,0,0|1,1,0]=4 11014 B12R1.477 ClCC(Cl)COCc1ncco1 34a_100000033668_103436540062 [0,2,0,0,0,0|2,0,0]=4 11015 B12R1.477 NC[C@@H](F)COCc1ncco1 34a_100015665980_103436540062 [0,2,0,0,0,0|2,0,0]=4 11016 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,2,0,0,0,0|0,1,1]=4 11017 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,2,0,0,0,0|0,1,1]=4 11018 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,2,0,0,0,0|1,0,1]=4 11019 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,2,0,0,0,0|1,0,1]=4 11020 B12R1.477 OCC(O)CNCc1ccco1 2230a_100000185738_100011219619 [0,2,0,0,0,0|1,0,0]=3 11021 B12R1.477 OCC(O)CNCc1ccco1 34a_100000185738_100011219619 [0,2,0,0,0,0|1,0,0]=3 11022 B12R1.477 OCC(O)CNCc1cccs1 2230a_100000211653_100011219619 [0,2,0,0,0,0|1,1,0]=4 11023 B12R1.477 OCC(O)CNCc1ncco1 2230a_100016994969_100011219619 [0,2,0,0,0,0|2,0,0]=4 11024 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [0,2,0,0,0,0|1,0,0]=3 11025 B12R1.477 OCC(O)COCc1cccs1 34a_100000211240_100011219619 [0,2,0,0,0,0|1,1,0]=4 11026 B12R1.477 OCC(O)COCc1ccno1 34a_100000740478_100011219619 [0,2,0,0,0,0|2,0,0]=4 11027 B12R1.477 OCC(O)COCc1ncco1 34a_100000062594_100011219619 [0,2,0,0,0,0|2,0,0]=4 11028 B12R1.477 OCC(O)CSCc1ncco1 62a_100011219619_103436540062 [0,2,0,0,0,0|2,0,0]=4 11029 B12R1.477 OCC(O)CSCc1ncco1 62a_103436540062_100011219619 [0,2,0,0,0,0|2,0,0]=4 11030 B12R1.477 OC[C@@H](O)CNCc1ccco1 207a_100020644852_100000186105 [0,2,0,0,0,0|1,0,0]=3 11031 B12R1.477 OC[C@@H](O)CNCc1cccs1 207a_100020644852_100000209959 [0,2,0,0,0,0|1,1,0]=4 11032 B12R1.477 OC[C@@H](O)CNCc1ncco1 2230a_100020644852_103436540062 [0,2,0,0,0,0|2,0,0]=4 11033 B12R1.477 OC[C@H](F)CNCc1ccco1 207a_100015665980_100000186105 [0,2,0,0,0,0|1,0,0]=3 11034 B12R1.477 OC[C@H](F)CNCc1ccco1 270004a_100015665980_100000186105 [0,2,0,0,0,0|1,0,0]=3 11035 B12R1.477 OC[C@H](F)CNCc1cccs1 207a_100015665980_100000209959 [0,2,0,0,0,0|1,1,0]=4 11036 B12R1.477 OC[C@H](F)CNCc1cccs1 270004a_100015665980_100000209959 [0,2,0,0,0,0|1,1,0]=4 11037 B12R1.477 OC[C@H](F)CNCc1cnco1 270004a_100015665980_100000064291 [0,2,0,0,0,0|2,0,0]=4 11038 B12R1.477 OC[C@H](F)CNCc1ncco1 270004a_100015665980_100000064290 [0,2,0,0,0,0|2,0,0]=4 11039 B12R1.477 OC[C@H](F)CNCc1ncco1 34a_100015665980_103436540062 [0,2,0,0,0,0|2,0,0]=4 11040 B12R1.477 OC[C@H](O)CNCc1ccco1 2230a_100000185738_100009815848 [0,2,0,0,0,0|1,0,0]=3 11041 B12R1.477 OC[C@H](O)CNCc1ccco1 34a_100000185738_100009815848 [0,2,0,0,0,0|1,0,0]=3 11042 B12R1.477 OC[C@H](O)CNCc1cccs1 2230a_100000211653_100009815848 [0,2,0,0,0,0|1,1,0]=4 11043 B12R1.477 OC[C@H](O)CNCc1ncco1 2230a_100016994969_100009815848 [0,2,0,0,0,0|2,0,0]=4 11044 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [0,2,0,0,0,0|1,0,0]=3 11045 B12R1.477 OC[C@H](O)COCc1cccs1 34a_100000211240_100009815848 [0,2,0,0,0,0|1,1,0]=4 11046 B12R1.477 OC[C@H](O)COCc1ccno1 34a_100000740478_100009815848 [0,2,0,0,0,0|2,0,0]=4 11047 B12R1.477 OC[C@H](O)COCc1ncco1 34a_100000062594_100009815848 [0,2,0,0,0,0|2,0,0]=4 11048 B12R1.477 OC[C@H](O)CSCc1ncco1 62a_100009815848_103436540062 [0,2,0,0,0,0|2,0,0]=4 11049 B12R1.477 OC[C@H](O)CSCc1ncco1 62a_103436540062_100009815848 [0,2,0,0,0,0|2,0,0]=4 11050 B12R1.477 O[C@@H](CF)CNCc1ccco1 2230a_100000185738_100015614560 [0,2,0,0,0,0|1,0,0]=3 11051 B12R1.477 O[C@@H](CF)CNCc1ccco1 34a_100000185738_100015614560 [0,2,0,0,0,0|1,0,0]=3 11052 B12R1.477 O[C@@H](CF)CNCc1cccs1 2230a_100000211653_100015614560 [0,2,0,0,0,0|1,1,0]=4 11053 B12R1.477 O[C@@H](CF)CNCc1ncco1 2230a_100016994969_100015614560 [0,2,0,0,0,0|2,0,0]=4 11054 B12R1.477 O[C@@H](CF)COCc1ccco1 34a_100000210059_100015614560 [0,2,0,0,0,0|1,0,0]=3 11055 B12R1.477 O[C@@H](CF)COCc1cccs1 34a_100000211240_100015614560 [0,2,0,0,0,0|1,1,0]=4 11056 B12R1.477 O[C@@H](CF)COCc1ccno1 34a_100000740478_100015614560 [0,2,0,0,0,0|2,0,0]=4 11057 B12R1.477 O[C@@H](CF)COCc1ncco1 34a_100000062594_100015614560 [0,2,0,0,0,0|2,0,0]=4 11058 B12R1.477 O[C@@H](CF)CSCc1ncco1 62a_100015614560_103436540062 [0,2,0,0,0,0|2,0,0]=4 11059 B12R1.477 O[C@@H](CF)CSCc1ncco1 62a_103436540062_100015614560 [0,2,0,0,0,0|2,0,0]=4 11060 B12R1.15 CC(CO)N[C@H](C)c1ccco1 2230a_100160469435_100012180447 [0,2,0,0,0,0|2,0,0]=4 11061 B12R1.15 CC(CO)O[C@@H](C)c1ccco1 34a_100000755270_100012180447 [0,2,0,0,0,0|2,0,0]=4 11062 B12R1.15 CC(CO)O[C@@H](C)c1ccco1 7a_100000755270_100012180447 [0,2,0,0,0,0|2,0,0]=4 11063 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,2,0,0,0,0|0,0,2]=4 11064 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 11065 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 11066 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 11067 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [0,2,0,0,0,0|1,0,1]=4 11068 B12R1.15 CCC(C)NC(C)c1ccc[nH]1 269862a_100000209981_100000183661 [0,2,0,0,0,0|2,0,0]=4 11069 B12R1.15 CCC(C)NC(C)c1cccs1 2230a_100000703493_100000758301 [0,2,0,0,0,0|1,1,0]=4 11070 B12R1.15 CCC(C)NC(C)c1cccs1 269862a_100000209981_100000185736 [0,2,0,0,0,0|1,1,0]=4 11071 B12R1.15 CCC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000758301 [0,2,0,0,0,0|1,0,0]=3 11072 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100011215416 [0,2,0,0,0,0|1,0,0]=3 11073 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000758301 [0,2,0,0,0,0|1,0,0]=3 11074 B12R1.15 CCC(C)O[C@H](C)c1cccs1 7a_100000750433_100000758301 [0,2,0,0,0,0|1,1,0]=4 11075 B12R1.15 CCN(C)CC(=O)c1ccco1 269982a_100000225621_100000211439 [0,2,0,0,0,0|1,0,1]=4 11076 B12R1.26 CC(CO)NCc1ccc(o1)Br 34a_100000708654_100012180447 [0,2,0,0,0,0|2,0,0]=4 11077 B12R1.26 CC(CO)OCc1ccc(o1)Br 34a_100000246276_100012180447 [0,2,0,0,0,0|2,0,0]=4 11078 B12R1.26 CC(CO)OCc1ccc(o1)Br 7a_100000246276_100012180447 [0,2,0,0,0,0|2,0,0]=4 11079 B12R1.26 CCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210202 [0,2,0,0,0,0|1,0,1]=4 11080 B12R1.26 CCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 11081 B12R1.26 CCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 11082 B12R1.26 CCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 11083 B12R1.26 CCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210414 [0,2,0,0,0,0|1,0,1]=4 11084 B12R1.26 CCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 11085 B12R1.26 CCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 11086 B12R1.26 CCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 11087 B12R1.26 CCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210414 [0,2,0,0,0,0|1,0,1]=4 11088 B12R1.26 CCC(C)CCc1nc(no1)C 270196a_100000212224_100000701222 [0,2,0,0,0,0|2,0,0]=4 11089 B12R1.26 CCC(C)CSc1cc(cs1)C 62a_100000748023_100009876951 [0,2,0,0,0,0|1,1,0]=4 11090 B12R1.26 CCC(C)CSc1cc(cs1)C 62a_100009876951_100000748023 [0,2,0,0,0,0|1,1,0]=4 11091 B12R1.26 CCC(C)CSc1ccc(s1)Br 62a_100000748023_100010197418 [0,2,0,0,0,0|1,1,0]=4 11092 B12R1.26 CCC(C)CSc1ccc(s1)Br 62a_100010197418_100000748023 [0,2,0,0,0,0|1,1,0]=4 11093 B12R1.26 CCC(C)CSc1ccc(s1)C 62a_100000031368_100000748023 [0,2,0,0,0,0|1,1,0]=4 11094 B12R1.26 CCC(C)CSc1ccc(s1)C 62a_100000748023_100000031368 [0,2,0,0,0,0|1,1,0]=4 11095 B12R1.26 CCC(C)NCc1cc(c[nH]1)Br 270004a_100000209981_100000720742 [0,2,0,0,0,0|2,0,0]=4 11096 B12R1.26 CCC(C)NCc1cc(co1)Br 270004a_100000209981_100000747035 [0,2,0,0,0,0|1,0,0]=3 11097 B12R1.26 CCC(C)NCc1cc(cs1)Br 207a_100000209981_100000211722 [0,2,0,0,0,0|1,1,0]=4 11098 B12R1.26 CCC(C)NCc1cc(cs1)Br 2230a_100000209981_100000746031 [0,2,0,0,0,0|1,1,0]=4 11099 B12R1.26 CCC(C)NCc1cc(cs1)Br 2230a_100000741024_100000758301 [0,2,0,0,0,0|1,1,0]=4 11100 B12R1.26 CCC(C)NCc1cc(cs1)Br 270004a_100000209981_100000211722 [0,2,0,0,0,0|1,1,0]=4 11101 B12R1.26 CCC(C)NCc1cc(cs1)Br 34a_100000741024_100011215416 [0,2,0,0,0,0|1,1,0]=4 11102 B12R1.26 CCC(C)NCc1cc(cs1)C 207a_100000209981_100102525248 [0,2,0,0,0,0|1,1,0]=4 11103 B12R1.26 CCC(C)NCc1cc(cs1)C 2230a_100015204214_100000758301 [0,2,0,0,0,0|1,1,0]=4 11104 B12R1.26 CCC(C)NCc1cc(cs1)C 270004a_100000209981_100102525248 [0,2,0,0,0,0|1,1,0]=4 11105 B12R1.26 CCC(C)NCc1cc(cs1)C 34a_100015204214_100011215416 [0,2,0,0,0,0|1,1,0]=4 11106 B12R1.26 CCC(C)NCc1cc(cs1)Cl 207a_100000209981_100000102487 [0,2,0,0,0,0|1,1,0]=4 11107 B12R1.26 CCC(C)NCc1cc(cs1)Cl 270004a_100000209981_100000102487 [0,2,0,0,0,0|1,1,0]=4 11108 B12R1.26 CCC(C)NCc1cc(cs1)I 207a_100000209981_100010179861 [0,2,0,0,0,0|1,1,0]=4 11109 B12R1.26 CCC(C)NCc1cc(no1)Br 2230a_100015193020_100000758301 [0,2,0,0,0,0|2,0,0]=4 11110 B12R1.26 CCC(C)NCc1cc(no1)Br 270004a_100000209981_100009819588 [0,2,0,0,0,0|2,0,0]=4 11111 B12R1.26 CCC(C)NCc1cc(no1)Br 34a_100015193020_100011215416 [0,2,0,0,0,0|2,0,0]=4 11112 B12R1.26 CCC(C)NCc1cc(no1)C 207a_100000209981_100011794430 [0,2,0,0,0,0|2,0,0]=4 11113 B12R1.26 CCC(C)NCc1cc(no1)C 2230a_100000209981_100000707947 [0,2,0,0,0,0|2,0,0]=4 11114 B12R1.26 CCC(C)NCc1cc(no1)C 2230a_100000745748_100000758301 [0,2,0,0,0,0|2,0,0]=4 11115 B12R1.26 CCC(C)NCc1cc(no1)C 270004a_100000209981_100011794430 [0,2,0,0,0,0|2,0,0]=4 11116 B12R1.26 CCC(C)NCc1cc(no1)C 34a_100000745748_100011215416 [0,2,0,0,0,0|2,0,0]=4 11117 B12R1.26 CCC(C)NCc1ccc(o1)Br 207a_100000209981_100000185145 [0,2,0,0,0,0|1,0,0]=3 11118 B12R1.26 CCC(C)NCc1ccc(o1)Br 270004a_100000209981_100000185145 [0,2,0,0,0,0|1,0,0]=3 11119 B12R1.26 CCC(C)NCc1ccc(o1)Br 34a_100000708654_100011215416 [0,2,0,0,0,0|1,0,0]=3 11120 B12R1.26 CCC(C)NCc1ccc(o1)C 207a_100000209981_100000183696 [0,2,0,0,0,0|1,0,0]=3 11121 B12R1.26 CCC(C)NCc1ccc(o1)C 270004a_100000209981_100000183696 [0,2,0,0,0,0|1,0,0]=3 11122 B12R1.26 CCC(C)NCc1ccc(o1)C 34a_100011194323_100011215416 [0,2,0,0,0,0|1,0,0]=3 11123 B12R1.26 CCC(C)NCc1ccc(o1)Cl 207a_100000209981_100000188459 [0,2,0,0,0,0|1,0,0]=3 11124 B12R1.26 CCC(C)NCc1ccc(o1)Cl 270004a_100000209981_100000188459 [0,2,0,0,0,0|1,0,0]=3 11125 B12R1.26 CCC(C)NCc1ccc(o1)I 207a_100000209981_100000186757 [0,2,0,0,0,0|1,0,0]=3 11126 B12R1.26 CCC(C)NCc1ccc(s1)Br 207a_100000209981_100000179771 [0,2,0,0,0,0|1,1,0]=4 11127 B12R1.26 CCC(C)NCc1ccc(s1)Br 2230a_100000209981_100000708592 [0,2,0,0,0,0|1,1,0]=4 11128 B12R1.26 CCC(C)NCc1ccc(s1)Br 270004a_100000209981_100000179771 [0,2,0,0,0,0|1,1,0]=4 11129 B12R1.26 CCC(C)NCc1ccc(s1)C 207a_100000209981_100000211121 [0,2,0,0,0,0|1,1,0]=4 11130 B12R1.26 CCC(C)NCc1ccc(s1)C 2230a_100000238518_100000758301 [0,2,0,0,0,0|1,1,0]=4 11131 B12R1.26 CCC(C)NCc1ccc(s1)C 270004a_100000209981_100000211121 [0,2,0,0,0,0|1,1,0]=4 11132 B12R1.26 CCC(C)NCc1ccc(s1)Cl 207a_100000209981_100000242774 [0,2,0,0,0,0|1,1,0]=4 11133 B12R1.26 CCC(C)NCc1ccc(s1)Cl 2230a_100000209981_100000185097 [0,2,0,0,0,0|1,1,0]=4 11134 B12R1.26 CCC(C)NCc1ccc(s1)Cl 2230a_100000737310_100000758301 [0,2,0,0,0,0|1,1,0]=4 11135 B12R1.26 CCC(C)NCc1ccc(s1)Cl 270004a_100000209981_100000242774 [0,2,0,0,0,0|1,1,0]=4 11136 B12R1.26 CCC(C)NCc1cnc(o1)C 207a_100000209981_100000084308 [0,2,0,0,0,0|2,0,0]=4 11137 B12R1.26 CCC(C)NCc1cnc(o1)C 270004a_100000209981_100000084308 [0,2,0,0,0,0|2,0,0]=4 11138 B12R1.26 CCC(C)NCc1ncc(o1)C 2230a_100138411809_100000758301 [0,2,0,0,0,0|2,0,0]=4 11139 B12R1.26 CCC(C)NCc1ncc(o1)C 34a_100138411809_100011215416 [0,2,0,0,0,0|2,0,0]=4 11140 B12R1.26 CCC(C)OCc1cc(cs1)Br 34a_100000238369_100011215416 [0,2,0,0,0,0|1,1,0]=4 11141 B12R1.26 CCC(C)OCc1cc(cs1)Br 7a_100000210228_100000746031 [0,2,0,0,0,0|1,1,0]=4 11142 B12R1.26 CCC(C)OCc1cc(cs1)Br 7a_100000238369_100000758301 [0,2,0,0,0,0|1,1,0]=4 11143 B12R1.26 CCC(C)OCc1cc(cs1)C 34a_200000068372_100011215416 [0,2,0,0,0,0|1,1,0]=4 11144 B12R1.26 CCC(C)OCc1cc(cs1)C 7a_200000068372_100000758301 [0,2,0,0,0,0|1,1,0]=4 11145 B12R1.26 CCC(C)OCc1cc(no1)Br 34a_100009816691_100011215416 [0,2,0,0,0,0|2,0,0]=4 11146 B12R1.26 CCC(C)OCc1cc(no1)Br 7a_100000210228_100000709089 [0,2,0,0,0,0|2,0,0]=4 11147 B12R1.26 CCC(C)OCc1cc(no1)C 34a_100000684692_100011215416 [0,2,0,0,0,0|2,0,0]=4 11148 B12R1.26 CCC(C)OCc1cc(no1)C 7a_100000210228_100000707947 [0,2,0,0,0,0|2,0,0]=4 11149 B12R1.26 CCC(C)OCc1ccc(o1)Br 34a_100000246276_100011215416 [0,2,0,0,0,0|1,0,0]=3 11150 B12R1.26 CCC(C)OCc1ccc(o1)Br 7a_100000246276_100000758301 [0,2,0,0,0,0|1,0,0]=3 11151 B12R1.26 CCC(C)OCc1ccc(o1)C 34a_100011232665_100011215416 [0,2,0,0,0,0|1,0,0]=3 11152 B12R1.26 CCC(C)OCc1ccc(o1)C 7a_100011232665_100000758301 [0,2,0,0,0,0|1,0,0]=3 11153 B12R1.26 CCC(C)OCc1ccc(s1)Br 7a_100000210228_100000708592 [0,2,0,0,0,0|1,1,0]=4 11154 B12R1.26 CCC(C)OCc1ccc(s1)C 34a_100000238367_100011215416 [0,2,0,0,0,0|1,1,0]=4 11155 B12R1.26 CCC(C)OCc1ccc(s1)Cl 7a_100000210228_100000185097 [0,2,0,0,0,0|1,1,0]=4 11156 B12R1.26 CCC(C)SCc1cc(cs1)Br 62a_100000746031_100000758301 [0,2,0,0,0,0|1,1,0]=4 11157 B12R1.26 CCC(C)SCc1cc(cs1)Br 62a_100000758301_100000746031 [0,2,0,0,0,0|1,1,0]=4 11158 B12R1.26 CCC(C)SCc1cc(no1)Br 62a_100000709089_100000758301 [0,2,0,0,0,0|2,0,0]=4 11159 B12R1.26 CCC(C)SCc1cc(no1)Br 62a_100000758301_100000709089 [0,2,0,0,0,0|2,0,0]=4 11160 B12R1.26 CCC(C)SCc1cc(no1)C 62a_100000707947_100000758301 [0,2,0,0,0,0|2,0,0]=4 11161 B12R1.26 CCC(C)SCc1cc(no1)C 62a_100000758301_100000707947 [0,2,0,0,0,0|2,0,0]=4 11162 B12R1.26 CCC(C)SCc1ccc(s1)Br 62a_100000708592_100000758301 [0,2,0,0,0,0|1,1,0]=4 11163 B12R1.26 CCC(C)SCc1ccc(s1)Br 62a_100000758301_100000708592 [0,2,0,0,0,0|1,1,0]=4 11164 B12R1.26 CCC(C)SCc1ccc(s1)Cl 62a_100000185097_100000758301 [0,2,0,0,0,0|1,1,0]=4 11165 B12R1.26 CCC(C)SCc1ccc(s1)Cl 62a_100000758301_100000185097 [0,2,0,0,0,0|1,1,0]=4 11166 B12R1.26 CCC(O)CCc1nc(no1)C 270196a_100000212224_203496584001 [0,2,0,0,0,0|2,0,0]=4 11167 B12R1.26 CCC(O)CSc1cc(cs1)C 62a_100009876951_100011218378 [0,2,0,0,0,0|1,1,0]=4 11168 B12R1.26 CCC(O)CSc1cc(cs1)C 62a_100011218378_100009876951 [0,2,0,0,0,0|1,1,0]=4 11169 B12R1.26 CCC(O)CSc1ccc(s1)Br 62a_100010197418_100011218378 [0,2,0,0,0,0|1,1,0]=4 11170 B12R1.26 CCC(O)CSc1ccc(s1)Br 62a_100011218378_100010197418 [0,2,0,0,0,0|1,1,0]=4 11171 B12R1.26 CCC(O)CSc1ccc(s1)C 62a_100000031368_100011218378 [0,2,0,0,0,0|1,1,0]=4 11172 B12R1.26 CCC(O)CSc1ccc(s1)C 62a_100011218378_100000031368 [0,2,0,0,0,0|1,1,0]=4 11173 B12R1.26 CC[C@H](C)CSc1cc(cs1)C 62a_100009816398_100009876951 [0,2,0,0,0,0|1,1,0]=4 11174 B12R1.26 CC[C@H](C)CSc1cc(cs1)C 62a_100009876951_100009816398 [0,2,0,0,0,0|1,1,0]=4 11175 B12R1.26 CC[C@H](C)CSc1ccc(s1)Br 62a_100009816398_100010197418 [0,2,0,0,0,0|1,1,0]=4 11176 B12R1.26 CC[C@H](C)CSc1ccc(s1)Br 62a_100010197418_100009816398 [0,2,0,0,0,0|1,1,0]=4 11177 B12R1.26 CC[C@H](C)CSc1ccc(s1)C 62a_100000031368_100009816398 [0,2,0,0,0,0|1,1,0]=4 11178 B12R1.26 CC[C@H](C)CSc1ccc(s1)C 62a_100009816398_100000031368 [0,2,0,0,0,0|1,1,0]=4 11179 B12R1.26 C[C@H](CF)NCc1cc(co1)Br 270004a_100102880703_100000747035 [0,2,0,0,0,0|2,0,0]=4 11180 B12R1.26 C[C@H](CF)NCc1ccc(o1)Br 207a_100102880703_100000185145 [0,2,0,0,0,0|2,0,0]=4 11181 B12R1.26 C[C@H](CF)NCc1ccc(o1)Br 270004a_100102880703_100000185145 [0,2,0,0,0,0|2,0,0]=4 11182 B12R1.26 C[C@H](CF)NCc1ccc(o1)Cl 207a_100102880703_100000188459 [0,2,0,0,0,0|2,0,0]=4 11183 B12R1.26 C[C@H](CF)NCc1ccc(o1)Cl 270004a_100102880703_100000188459 [0,2,0,0,0,0|2,0,0]=4 11184 B12R1.26 C[C@H](CF)NCc1ccc(o1)I 207a_100102880703_100000186757 [0,2,0,0,0,0|2,0,0]=4 11185 B12R1.26 C[C@H](CO)NCc1cc(co1)Br 270004a_100000737577_100000747035 [0,2,0,0,0,0|2,0,0]=4 11186 B12R1.26 C[C@H](CO)NCc1ccc(o1)Br 207a_100000737577_100000185145 [0,2,0,0,0,0|2,0,0]=4 11187 B12R1.26 C[C@H](CO)NCc1ccc(o1)Br 270004a_100000737577_100000185145 [0,2,0,0,0,0|2,0,0]=4 11188 B12R1.26 C[C@H](CO)NCc1ccc(o1)Cl 207a_100000737577_100000188459 [0,2,0,0,0,0|2,0,0]=4 11189 B12R1.26 C[C@H](CO)NCc1ccc(o1)Cl 270004a_100000737577_100000188459 [0,2,0,0,0,0|2,0,0]=4 11190 B12R1.26 C[C@H](CO)NCc1ccc(o1)I 207a_100000737577_100000186757 [0,2,0,0,0,0|2,0,0]=4 11191 B12R1.26 Cc1ccc(o1)CNC(C)CO 34a_100011194323_100012180447 [0,2,0,0,0,0|2,0,0]=4 11192 B12R1.26 Cc1ccc(o1)CN[C@H](C)CF 207a_100102880703_100000183696 [0,2,0,0,0,0|2,0,0]=4 11193 B12R1.26 Cc1ccc(o1)CN[C@H](C)CF 270004a_100102880703_100000183696 [0,2,0,0,0,0|2,0,0]=4 11194 B12R1.26 Cc1ccc(o1)CN[C@H](C)CO 207a_100000737577_100000183696 [0,2,0,0,0,0|2,0,0]=4 11195 B12R1.26 Cc1ccc(o1)CN[C@H](C)CO 270004a_100000737577_100000183696 [0,2,0,0,0,0|2,0,0]=4 11196 B12R1.26 Cc1ccc(o1)COC(C)CO 34a_100011232665_100012180447 [0,2,0,0,0,0|2,0,0]=4 11197 B12R1.26 Cc1ccc(o1)COC(C)CO 7a_100011232665_100012180447 [0,2,0,0,0,0|2,0,0]=4 11198 B12R1.108 CC(CO)N(C)Cc1ccco1 2230a_100000185268_100012180447 [0,2,0,0,0,0|2,0,0]=4 11199 B12R1.108 CC(CO)N(C)Cc1ccco1 270004a_100000693034_100000186105 [0,2,0,0,0,0|2,0,0]=4 11200 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100000742827_100009814098 [0,2,0,0,0,0|1,0,1]=4 11201 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100009814098_100000742827 [0,2,0,0,0,0|1,0,1]=4 11202 B12R1.108 CCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210414 [0,2,0,0,0,0|1,0,1]=4 11203 B12R1.108 CCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210414 [0,2,0,0,0,0|1,0,1]=4 11204 B12R1.108 CCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210414 [0,2,0,0,0,0|1,0,1]=4 11205 B12R1.108 CCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000758301 [0,2,0,0,0,0|1,0,1]=4 11206 B12R1.108 CCC(C)C(=O)Cc1ccco1 1458a_100011217309_100000758301 [0,2,0,0,0,0|0,0,1]=3 11207 B12R1.108 CCC(C)C(=O)Cc1cccs1 1458a_100000210189_100000758301 [0,2,0,0,0,0|0,1,1]=4 11208 B12R1.108 CCC(C)C(=O)Cc1ncco1 1458a_100011192722_103436540062 [0,2,0,0,0,0|1,0,1]=4 11209 B12R1.108 CCC(C)N(C)Cc1ccco1 2230a_100000185268_100000758301 [0,2,0,0,0,0|1,0,0]=3 11210 B12R1.108 CCC(C)N(C)Cc1ccco1 269982a_100000185268_100000758301 [0,2,0,0,0,0|1,0,0]=3 11211 B12R1.108 CCC(C)N(C)Cc1ccco1 270004a_100000741768_100000186105 [0,2,0,0,0,0|1,0,0]=3 11212 B12R1.108 CCC(C)N(C)Cc1cccs1 2230a_100000184426_100000758301 [0,2,0,0,0,0|1,1,0]=4 11213 B12R1.108 CCC(C)N(C)Cc1cccs1 269982a_100000184426_100000758301 [0,2,0,0,0,0|1,1,0]=4 11214 B12R1.108 CCC(C)N(C)Cc1cccs1 270004a_100000741768_100000209959 [0,2,0,0,0,0|1,1,0]=4 11215 B12R1.108 CCC(C)N(C)Cc1cnco1 270004a_100000741768_100000064291 [0,2,0,0,0,0|2,0,0]=4 11216 B12R1.108 CCC(C)N(C)Cc1ncco1 2230a_100000741768_103436540062 [0,2,0,0,0,0|2,0,0]=4 11217 B12R1.108 CCC(C)N(C)Cc1ncco1 269982a_100000741768_103436540062 [0,2,0,0,0,0|2,0,0]=4 11218 B12R1.108 CCC(C)N(C)Cc1ncco1 270004a_100000741768_100000064290 [0,2,0,0,0,0|2,0,0]=4 11219 B12R1.108 CCC(O)C(=O)Cc1ncco1 1458a_100011196387_103436540062 [0,2,0,0,0,0|1,0,1]=4 11220 B12R1.108 CCN(C)C(=O)Cc1ccco1 11a_100000225621_100011217309 [0,2,0,0,0,0|1,0,1]=4 11221 B12R1.108 CCN(C)C(=O)Cc1ccco1 527a_100000225621_100011217309 [0,2,0,0,0,0|1,0,1]=4 11222 B12R1.108 COC(C)N(C)Cc1ccco1 269982a_100000185268_100009879195 [0,2,0,0,0,0|2,0,0]=4 11223 B12R1.108 C[C@H](CO)N(C)Cc1ccco1 269982a_100000185268_100016084084 [0,2,0,0,0,0|2,0,0]=4 11224 B12R1.196 CC(C)(CO)CSc1ccco1 62a_100009813988_100009814098 [0,2,0,0,0,0|2,0,0]=4 11225 B12R1.196 CC(C)(CO)CSc1ccco1 62a_100009814098_100009813988 [0,2,0,0,0,0|2,0,0]=4 11226 B12R1.196 CC(C)(CO)NCc1ccco1 207a_100000210608_100000186105 [0,2,0,0,0,0|2,0,0]=4 11227 B12R1.196 CC(C)(CO)NCc1ccco1 270004a_100000210608_100000186105 [0,2,0,0,0,0|2,0,0]=4 11228 B12R1.196 CCC(C)(C)NCc1ccco1 207a_100000211385_100000186105 [0,2,0,0,0,0|1,0,0]=3 11229 B12R1.196 CCC(C)(C)NCc1ccco1 270004a_100000211385_100000186105 [0,2,0,0,0,0|1,0,0]=3 11230 B12R1.196 CCC(C)(C)NCc1cccs1 207a_100000211385_100000209959 [0,2,0,0,0,0|1,1,0]=4 11231 B12R1.196 CCC(C)(C)NCc1cccs1 270004a_100000211385_100000209959 [0,2,0,0,0,0|1,1,0]=4 11232 B12R1.196 CCC(C)(C)NCc1cnco1 270004a_100000211385_100000064291 [0,2,0,0,0,0|2,0,0]=4 11233 B12R1.196 CCC(C)(C)NCc1ncco1 2230a_100000211385_103436540062 [0,2,0,0,0,0|2,0,0]=4 11234 B12R1.196 CCC(C)(C)NCc1ncco1 270004a_100000211385_100000064290 [0,2,0,0,0,0|2,0,0]=4 11235 B12R1.196 CCC(C)(C)OCc1ncco1 7a_100000210230_103436540062 [0,2,0,0,0,0|2,0,0]=4 11236 B12R1.196 CCC(C)(C)SCc1ncco1 62a_100000032637_103436540062 [0,2,0,0,0,0|2,0,0]=4 11237 B12R1.196 CCC(C)(C)SCc1ncco1 62a_103436540062_100000032637 [0,2,0,0,0,0|2,0,0]=4 11238 B12R1.196 CCS(=O)(=O)NCc1ccco1 270084a_100000185738_100000211323 [0,2,0,0,0,0|2,0,0]=4 11239 B12R1.196 CCS(=O)(=O)NCc1ccco1 274078a_100000185738_100000211323 [0,2,0,0,0,0|2,0,0]=4 11240 B12R1.196 CCS(=O)(=O)NCc1ccco1 40a_100000185738_100000053943 [0,2,0,0,0,0|2,0,0]=4 11241 B12R1.196 COC(C)(C)CSc1ccco1 62a_100000701081_100009814098 [0,2,0,0,0,0|2,0,0]=4 11242 B12R1.196 COC(C)(C)CSc1ccco1 62a_100009814098_100000701081 [0,2,0,0,0,0|2,0,0]=4 11243 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,2,0,0,0,0|1,0,1]=4 11244 B12R1.264 CC(C)C(=O)CCc1ccc[nH]1 1458a_200011998680_100000210206 [0,2,0,0,0,0|1,0,1]=4 11245 B12R1.264 CC(C)C(=O)CCc1ccco1 1458a_100000185103_100000210206 [0,2,0,0,0,0|0,0,1]=3 11246 B12R1.264 CC(C)C(=O)CCc1cccs1 1458a_100000185280_100000210206 [0,2,0,0,0,0|0,1,1]=4 11247 B12R1.264 CC(C)C(=O)CCc1cccs1 1458a_100000210198_100000748579 [0,2,0,0,0,0|0,1,1]=4 11248 B12R1.264 CC(C)C(=O)CSc1ccco1 62a_100000753385_100009814098 [0,2,0,0,0,0|1,0,1]=4 11249 B12R1.264 CC(C)C(=O)CSc1ccco1 62a_100009814098_100000753385 [0,2,0,0,0,0|1,0,1]=4 11250 B12R1.264 CC(C)C(=O)NCc1ccco1 11a_100000185738_100000210198 [0,2,0,0,0,0|1,0,1]=4 11251 B12R1.264 CC(C)C(=O)NCc1ccco1 1626a_100000185738_100000210198 [0,2,0,0,0,0|1,0,1]=4 11252 B12R1.264 CC(C)C(=O)NCc1ccco1 240690a_100000185738_100000210198 [0,2,0,0,0,0|1,0,1]=4 11253 B12R1.264 CC(C)C(=O)NCc1ccco1 527a_100000185738_100000210198 [0,2,0,0,0,0|1,0,1]=4 11254 B12R1.264 CC(C)C(C)NCc1ccco1 207a_100000211541_100000186105 [0,2,0,0,0,0|1,0,0]=3 11255 B12R1.264 CC(C)C(C)NCc1ccco1 270004a_100000211541_100000186105 [0,2,0,0,0,0|1,0,0]=3 11256 B12R1.264 CC(C)C(C)NCc1cccs1 207a_100000211541_100000209959 [0,2,0,0,0,0|1,1,0]=4 11257 B12R1.264 CC(C)C(C)NCc1cccs1 270004a_100000211541_100000209959 [0,2,0,0,0,0|1,1,0]=4 11258 B12R1.264 CC(C)C(C)NCc1cnco1 270004a_100000211541_100000064291 [0,2,0,0,0,0|2,0,0]=4 11259 B12R1.264 CC(C)C(C)NCc1ncco1 2230a_100000211541_103436540062 [0,2,0,0,0,0|2,0,0]=4 11260 B12R1.264 CC(C)C(C)NCc1ncco1 270004a_100000211541_100000064290 [0,2,0,0,0,0|2,0,0]=4 11261 B12R1.264 CC(C)C(C)OCc1ncco1 7a_100000748068_103436540062 [0,2,0,0,0,0|2,0,0]=4 11262 B12R1.264 CC(C)N(C)CCc1cccs1 269982a_200000211004_100000748579 [0,2,0,0,0,0|1,1,0]=4 11263 B12R1.264 CC(F)C(=O)CCc1cccs1 1458a_100000062450_100000748579 [0,2,0,0,0,0|0,1,1]=4 11264 B12R1.264 CC(F)C(=O)NCc1ccco1 11a_100000185738_100000062450 [0,2,0,0,0,0|1,0,1]=4 11265 B12R1.264 CC(F)C(=O)NCc1ccco1 1626a_100000185738_100000062450 [0,2,0,0,0,0|1,0,1]=4 11266 B12R1.264 CC(F)C(=O)NCc1ccco1 240690a_100000185738_100000062450 [0,2,0,0,0,0|1,0,1]=4 11267 B12R1.264 CC(F)C(=O)NCc1ccco1 527a_100000185738_100000062450 [0,2,0,0,0,0|1,0,1]=4 11268 B12R1.264 CN(C)C(=O)CCc1ccco1 11a_100102631434_100000185103 [0,2,0,0,0,0|1,0,1]=4 11269 B12R1.264 CN(C)C(=O)CCc1ccco1 1626a_100102631434_100000185103 [0,2,0,0,0,0|1,0,1]=4 11270 B12R1.264 CN(C)C(=O)CCc1ccco1 271570a_200010232142_100009814098 [0,2,0,0,0,0|1,0,1]=4 11271 B12R1.264 CN(C)C(=O)CCc1ccco1 527a_100102631434_100000185103 [0,2,0,0,0,0|1,0,1]=4 11272 B12R1.264 C[C@@H](O)C(=O)CCc1cccs1 1458a_100000717761_100000748579 [0,2,0,0,0,0|0,1,1]=4 11273 B12R1.264 C[C@@H](O)C(=O)NCc1ccco1 240690a_100000185738_100000717761 [0,2,0,0,0,0|1,0,1]=4 11274 B12R1.264 C[C@H](O)C(=O)CCc1cccs1 1458a_217856618621_100000748579 [0,2,0,0,0,0|0,1,1]=4 11275 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 1626a_100000185738_217856618621 [0,2,0,0,0,0|1,0,1]=4 11276 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 240690a_100000185738_217856618621 [0,2,0,0,0,0|1,0,1]=4 11277 B12R1.297 C#CC(CC)OCc1ncco1 34a_100000758843_103436540062 [0,2,0,0,0,0|2,0,0]=4 11278 B12R1.297 C#CC(CC)OCc1ncco1 7a_100000758843_103436540062 [0,2,0,0,0,0|2,0,0]=4 11279 B12R1.297 C=CC(CC)OCc1ncco1 34a_100000766422_103436540062 [0,2,0,0,0,0|2,0,0]=4 11280 B12R1.297 C=CC(CC)OCc1ncco1 7a_100000766422_103436540062 [0,2,0,0,0,0|2,0,0]=4 11281 B12R1.297 C=C[C@@H](CO)NCc1ccco1 270004a_100016989147_100000186105 [0,2,0,0,0,0|2,0,0]=4 11282 B12R1.297 CCC(CC)CSc1ccco1 62a_100009814098_100011215472 [0,2,0,0,0,0|1,0,0]=3 11283 B12R1.297 CCC(CC)CSc1ccco1 62a_100011215472_100009814098 [0,2,0,0,0,0|1,0,0]=3 11284 B12R1.297 CCC(CC)CSc1cccs1 62a_100011215356_100011215472 [0,2,0,0,0,0|1,1,0]=4 11285 B12R1.297 CCC(CC)CSc1cccs1 62a_100011215472_100011215356 [0,2,0,0,0,0|1,1,0]=4 11286 B12R1.297 CCC(CC)CSc1cnco1 62a_100011215472_100020591547 [0,2,0,0,0,0|2,0,0]=4 11287 B12R1.297 CCC(CC)CSc1cnco1 62a_100020591547_100011215472 [0,2,0,0,0,0|2,0,0]=4 11288 B12R1.297 CCC(CC)CSc1ncco1 62a_100011215472_100011787736 [0,2,0,0,0,0|2,0,0]=4 11289 B12R1.297 CCC(CC)CSc1ncco1 62a_100011787736_100011215472 [0,2,0,0,0,0|2,0,0]=4 11290 B12R1.297 CCC(CC)NCc1ccco1 207a_100000199018_100000186105 [0,2,0,0,0,0|1,0,0]=3 11291 B12R1.297 CCC(CC)NCc1ccco1 270004a_100000185738_100000210860 [0,2,0,0,0,0|1,0,0]=3 11292 B12R1.297 CCC(CC)NCc1ccco1 270004a_100000199018_100000186105 [0,2,0,0,0,0|1,0,0]=3 11293 B12R1.297 CCC(CC)NCc1cccs1 207a_100000199018_100000209959 [0,2,0,0,0,0|1,1,0]=4 11294 B12R1.297 CCC(CC)NCc1cccs1 270004a_100000199018_100000209959 [0,2,0,0,0,0|1,1,0]=4 11295 B12R1.297 CCC(CC)NCc1cccs1 270004a_100000211653_100000210860 [0,2,0,0,0,0|1,1,0]=4 11296 B12R1.297 CCC(CC)NCc1cnco1 270004a_100000199018_100000064291 [0,2,0,0,0,0|2,0,0]=4 11297 B12R1.297 CCC(CC)NCc1cnco1 270004a_100020634212_100000210860 [0,2,0,0,0,0|2,0,0]=4 11298 B12R1.297 CCC(CC)NCc1ncco1 2230a_100000199018_103436540062 [0,2,0,0,0,0|2,0,0]=4 11299 B12R1.297 CCC(CC)NCc1ncco1 270004a_100000199018_100000064290 [0,2,0,0,0,0|2,0,0]=4 11300 B12R1.297 CCC(CC)OCc1ncco1 7a_100000688536_103436540062 [0,2,0,0,0,0|2,0,0]=4 11301 B12R1.297 CCC(CC)SCc1ncco1 62a_100000210505_103436540062 [0,2,0,0,0,0|2,0,0]=4 11302 B12R1.297 CCC(CC)SCc1ncco1 62a_103436540062_100000210505 [0,2,0,0,0,0|2,0,0]=4 11303 B12R1.297 CCN(CC)CCc1cccs1 2230a_100000724800_100000748579 [0,2,0,0,0,0|1,1,0]=4 11304 B12R1.297 CCN(CC)CCc1cccs1 269956a_100000042499_100000748579 [0,2,0,0,0,0|1,1,0]=4 11305 B12R1.297 CCN(CC)CCc1cccs1 269982a_100000724800_100000748579 [0,2,0,0,0,0|1,1,0]=4 11306 B12R1.297 CC[C@@H](CO)NCc1ccco1 207a_100000709445_100000186105 [0,2,0,0,0,0|1,0,0]=3 11307 B12R1.297 CC[C@@H](CO)NCc1ccco1 270004a_100000709445_100000186105 [0,2,0,0,0,0|1,0,0]=3 11308 B12R1.297 CC[C@@H](CO)NCc1cccs1 207a_100000709445_100000209959 [0,2,0,0,0,0|1,1,0]=4 11309 B12R1.297 CC[C@@H](CO)NCc1cccs1 270004a_100000709445_100000209959 [0,2,0,0,0,0|1,1,0]=4 11310 B12R1.297 CC[C@@H](CO)NCc1cnco1 270004a_100000709445_100000064291 [0,2,0,0,0,0|2,0,0]=4 11311 B12R1.297 CC[C@@H](CO)NCc1ncco1 2230a_100000709445_103436540062 [0,2,0,0,0,0|2,0,0]=4 11312 B12R1.297 CC[C@@H](CO)NCc1ncco1 270004a_100000709445_100000064290 [0,2,0,0,0,0|2,0,0]=4 11313 B12R1.297 COC(CSc1ccco1)OC 62a_100000751394_100009814098 [0,2,0,0,0,0|2,0,0]=4 11314 B12R1.297 COC(CSc1ccco1)OC 62a_100009814098_100000751394 [0,2,0,0,0,0|2,0,0]=4 11315 B12R1.297 OCC(CO)NCc1ccco1 207a_100000759517_100000186105 [0,2,0,0,0,0|2,0,0]=4 11316 B12R1.353 CCC(C)CSc1sccc1Br 62a_100000748023_100012361411 [0,2,0,0,0,0|1,1,0]=4 11317 B12R1.353 CCC(C)CSc1sccc1Br 62a_100012361411_100000748023 [0,2,0,0,0,0|1,1,0]=4 11318 B12R1.353 CCC(C)CSc1sccc1C 62a_100000748023_100010247149 [0,2,0,0,0,0|1,1,0]=4 11319 B12R1.353 CCC(C)CSc1sccc1C 62a_100010247149_100000748023 [0,2,0,0,0,0|1,1,0]=4 11320 B12R1.353 CCC(C)NCc1cccn1C 270004a_100000209981_100000211633 [0,2,0,0,0,0|2,0,0]=4 11321 B12R1.353 CCC(C)NCc1cccn1C 34a_100011219357_100011215416 [0,2,0,0,0,0|2,0,0]=4 11322 B12R1.353 CCC(C)NCc1occc1Br 270004a_100000209981_100000756499 [0,2,0,0,0,0|1,0,0]=3 11323 B12R1.353 CCC(C)NCc1occc1C 207a_100000209981_100000763527 [0,2,0,0,0,0|1,0,0]=3 11324 B12R1.353 CCC(C)NCc1occc1C 270004a_100000209981_100000763527 [0,2,0,0,0,0|1,0,0]=3 11325 B12R1.353 CCC(C)NCc1sccc1Br 207a_100000209981_100000766043 [0,2,0,0,0,0|1,1,0]=4 11326 B12R1.353 CCC(C)NCc1sccc1Br 270004a_100000209981_100000766043 [0,2,0,0,0,0|1,1,0]=4 11327 B12R1.353 CCC(C)NCc1sccc1C 207a_100000209981_100000210881 [0,2,0,0,0,0|1,1,0]=4 11328 B12R1.353 CCC(C)NCc1sccc1C 2230a_100000238519_100000758301 [0,2,0,0,0,0|1,1,0]=4 11329 B12R1.353 CCC(C)NCc1sccc1C 270004a_100000209981_100000210881 [0,2,0,0,0,0|1,1,0]=4 11330 B12R1.353 CCC(C)NCc1sccc1C 34a_100000238519_100011215416 [0,2,0,0,0,0|1,1,0]=4 11331 B12R1.353 CCC(C)NCc1sccc1Cl 207a_100000209981_100000722334 [0,2,0,0,0,0|1,1,0]=4 11332 B12R1.353 CCC(C)NCc1sccc1Cl 2230a_100011934584_100000758301 [0,2,0,0,0,0|1,1,0]=4 11333 B12R1.353 CCC(C)NCc1sccc1Cl 270004a_100000209981_100000722334 [0,2,0,0,0,0|1,1,0]=4 11334 B12R1.353 CCC(C)NCc1sccc1Cl 34a_100011934584_100011215416 [0,2,0,0,0,0|1,1,0]=4 11335 B12R1.353 CCC(C)OCc1occc1C 34a_100011273948_100011215416 [0,2,0,0,0,0|1,0,0]=3 11336 B12R1.353 CCC(C)OCc1occc1C 7a_100011273948_100000758301 [0,2,0,0,0,0|1,0,0]=3 11337 B12R1.353 CCC(C)OCc1ocnc1C 34a_100000717716_100011215416 [0,2,0,0,0,0|2,0,0]=4 11338 B12R1.353 CCC(C)OCc1ocnc1C 7a_100000717716_100000758301 [0,2,0,0,0,0|2,0,0]=4 11339 B12R1.353 CCC(C)OCc1oncc1C 34a_200011065769_100011215416 [0,2,0,0,0,0|2,0,0]=4 11340 B12R1.353 CCC(C)OCc1sccc1Br 34a_100000702026_100011215416 [0,2,0,0,0,0|1,1,0]=4 11341 B12R1.353 CCC(C)OCc1sccc1C 34a_100000238368_100011215416 [0,2,0,0,0,0|1,1,0]=4 11342 B12R1.353 CCC(C)OCc1sccc1C 7a_100000238368_100000758301 [0,2,0,0,0,0|1,1,0]=4 11343 B12R1.353 CCC(C)OCc1sccc1Cl 34a_100000722387_100011215416 [0,2,0,0,0,0|1,1,0]=4 11344 B12R1.353 CCC(C)OCc1sccc1Cl 7a_100000722387_100000758301 [0,2,0,0,0,0|1,1,0]=4 11345 B12R1.353 CCC(O)CSc1sccc1Br 62a_100011218378_100012361411 [0,2,0,0,0,0|1,1,0]=4 11346 B12R1.353 CCC(O)CSc1sccc1Br 62a_100012361411_100011218378 [0,2,0,0,0,0|1,1,0]=4 11347 B12R1.353 CCC(O)CSc1sccc1C 62a_100010247149_100011218378 [0,2,0,0,0,0|1,1,0]=4 11348 B12R1.353 CCC(O)CSc1sccc1C 62a_100011218378_100010247149 [0,2,0,0,0,0|1,1,0]=4 11349 B12R1.353 CC[C@H](C)CSc1sccc1Br 62a_100009816398_100012361411 [0,2,0,0,0,0|1,1,0]=4 11350 B12R1.353 CC[C@H](C)CSc1sccc1Br 62a_100012361411_100009816398 [0,2,0,0,0,0|1,1,0]=4 11351 B12R1.353 CC[C@H](C)CSc1sccc1C 62a_100009816398_100010247149 [0,2,0,0,0,0|1,1,0]=4 11352 B12R1.353 CC[C@H](C)CSc1sccc1C 62a_100010247149_100009816398 [0,2,0,0,0,0|1,1,0]=4 11353 B12R1.353 C[C@H](CF)NCc1occc1Br 270004a_100102880703_100000756499 [0,2,0,0,0,0|2,0,0]=4 11354 B12R1.353 C[C@H](CO)NCc1occc1Br 270004a_100000737577_100000756499 [0,2,0,0,0,0|2,0,0]=4 11355 B12R1.353 Cc1ccoc1CN[C@H](C)CF 207a_100102880703_100000763527 [0,2,0,0,0,0|2,0,0]=4 11356 B12R1.353 Cc1ccoc1CN[C@H](C)CF 270004a_100102880703_100000763527 [0,2,0,0,0,0|2,0,0]=4 11357 B12R1.353 Cc1ccoc1CN[C@H](C)CO 207a_100000737577_100000763527 [0,2,0,0,0,0|2,0,0]=4 11358 B12R1.353 Cc1ccoc1CN[C@H](C)CO 270004a_100000737577_100000763527 [0,2,0,0,0,0|2,0,0]=4 11359 B12R1.353 Cc1ccoc1COC(C)CO 34a_100011273948_100012180447 [0,2,0,0,0,0|2,0,0]=4 11360 B12R1.353 Cc1ccoc1COC(C)CO 7a_100011273948_100012180447 [0,2,0,0,0,0|2,0,0]=4 11361 B12R1.29 CCCCC(C)c1nc(no1)C 270196a_100000212224_100000725509 [0,2,0,0,0,0|2,0,0]=4 11362 B12R1.29 CCCCC(O)c1nc(no1)C 270196a_100000212224_100000720857 [0,2,0,0,0,0|2,0,0]=4 11363 B12R1.29 CCCNC(=O)c1ccc(o1)O 271570a_203496583355_200000161738 [0,2,0,0,0,0|1,0,1]=4 11364 B12R1.29 CCCNC(C)c1cc(cs1)Br 2230a_100159270200_100000210303 [0,2,0,0,0,0|1,1,0]=4 11365 B12R1.29 CCCNC(C)c1cc(cs1)Br 269862a_100020643023_100000718618 [0,2,0,0,0,0|1,1,0]=4 11366 B12R1.29 CCCNC(C)c1cc(cs1)Br 34a_100159270200_100000210303 [0,2,0,0,0,0|1,1,0]=4 11367 B12R1.29 CCCNC(C)c1cc(cs1)C 269862a_100020643023_100000034720 [0,2,0,0,0,0|1,1,0]=4 11368 B12R1.29 CCCNC(C)c1cc(cs1)Cl 269862a_100020643023_100000061699 [0,2,0,0,0,0|1,1,0]=4 11369 B12R1.29 CCCNC(C)c1ccc([nH]1)Br 269862a_100020643023_200010494458 [0,2,0,0,0,0|2,0,0]=4 11370 B12R1.29 CCCNC(C)c1ccc(o1)C 269862a_100020643023_100000204583 [0,2,0,0,0,0|1,0,0]=3 11371 B12R1.29 CCCNC(C)c1ccc(s1)Br 2230a_100102723530_100000210303 [0,2,0,0,0,0|1,1,0]=4 11372 B12R1.29 CCCNC(C)c1ccc(s1)Br 269862a_100020643023_100000183331 [0,2,0,0,0,0|1,1,0]=4 11373 B12R1.29 CCCNC(C)c1ccc(s1)C 269862a_100020643023_100000195387 [0,2,0,0,0,0|1,1,0]=4 11374 B12R1.29 CCCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000210303 [0,2,0,0,0,0|1,1,0]=4 11375 B12R1.29 CCCNC(C)c1ccc(s1)Cl 269862a_100020643023_100000182421 [0,2,0,0,0,0|1,1,0]=4 11376 B12R1.29 CCCNC(C)c1ccc(s1)I 269862a_100020643023_200000034408 [0,2,0,0,0,0|1,1,0]=4 11377 B12R1.29 CCCNC(C)c1nc(co1)C 270004a_100020643023_100009826828 [0,2,0,0,0,0|2,0,0]=4 11378 B12R1.29 CNCCC(C)c1ccc(o1)C 270004a_106832991635_200000043041 [0,2,0,0,0,0|1,0,0]=3 11379 B12R1.29 Cc1ccc(o1)C(C)NCCF 269862a_100000724931_100000204583 [0,2,0,0,0,0|2,0,0]=4 11380 B12R1.29 Cc1ccc(o1)C(C)NCCO 269862a_100000210304_100000204583 [0,2,0,0,0,0|2,0,0]=4 11381 B12R1.31 CCCC(=O)Cc1cc(cs1)Br 1458a_100000211992_100000746031 [0,2,0,0,0,0|0,1,1]=4 11382 B12R1.31 CCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210303 [0,2,0,0,0,0|0,1,1]=4 11383 B12R1.31 CCCC(=O)Cc1cc(no1)Br 1458a_100000211992_100000709089 [0,2,0,0,0,0|1,0,1]=4 11384 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210303 [0,2,0,0,0,0|1,0,1]=4 11385 B12R1.31 CCCC(=O)Cc1cc(no1)C 1458a_100000211992_100000707947 [0,2,0,0,0,0|1,0,1]=4 11386 B12R1.31 CCCC(=O)Cc1ccc(s1)Br 1458a_100000211992_100000708592 [0,2,0,0,0,0|0,1,1]=4 11387 B12R1.31 CCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210303 [0,2,0,0,0,0|0,1,1]=4 11388 B12R1.31 CCCC(=O)Cc1ccc(s1)Cl 1458a_100000211992_100000185097 [0,2,0,0,0,0|0,1,1]=4 11389 B12R1.31 CCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210303 [0,2,0,0,0,0|0,1,1]=4 11390 B12R1.31 CCCC(C)Cc1nc(no1)C 270196a_100000212224_100000748435 [0,2,0,0,0,0|2,0,0]=4 11391 B12R1.31 CCCC(C)Sc1cc(cs1)C 62a_100000766640_100009876951 [0,2,0,0,0,0|1,1,0]=4 11392 B12R1.31 CCCC(C)Sc1cc(cs1)C 62a_100009876951_100000766640 [0,2,0,0,0,0|1,1,0]=4 11393 B12R1.31 CCCC(C)Sc1ccc(s1)Br 62a_100000766640_100010197418 [0,2,0,0,0,0|1,1,0]=4 11394 B12R1.31 CCCC(C)Sc1ccc(s1)Br 62a_100010197418_100000766640 [0,2,0,0,0,0|1,1,0]=4 11395 B12R1.31 CCCC(C)Sc1ccc(s1)C 62a_100000031368_100000766640 [0,2,0,0,0,0|1,1,0]=4 11396 B12R1.31 CCCC(C)Sc1ccc(s1)C 62a_100000766640_100000031368 [0,2,0,0,0,0|1,1,0]=4 11397 B12R1.31 CCCN(C)Cc1cc(c[nH]1)Br 270004a_100000747261_100000720742 [0,2,0,0,0,0|2,0,0]=4 11398 B12R1.31 CCCN(C)Cc1cc(co1)Br 270004a_100000747261_100000747035 [0,2,0,0,0,0|1,0,0]=3 11399 B12R1.31 CCCN(C)Cc1cc(cs1)Br 2230a_100000207611_100000210303 [0,2,0,0,0,0|1,1,0]=4 11400 B12R1.31 CCCN(C)Cc1cc(cs1)Br 2230a_100000747261_100000746031 [0,2,0,0,0,0|1,1,0]=4 11401 B12R1.31 CCCN(C)Cc1cc(cs1)Br 269982a_100000207611_100000210303 [0,2,0,0,0,0|1,1,0]=4 11402 B12R1.31 CCCN(C)Cc1cc(cs1)Br 269982a_100000747261_100000746031 [0,2,0,0,0,0|1,1,0]=4 11403 B12R1.31 CCCN(C)Cc1cc(cs1)Br 270004a_100000747261_100000211722 [0,2,0,0,0,0|1,1,0]=4 11404 B12R1.31 CCCN(C)Cc1cc(cs1)C 2230a_100011502060_100000210303 [0,2,0,0,0,0|1,1,0]=4 11405 B12R1.31 CCCN(C)Cc1cc(cs1)C 269982a_100011502060_100000210303 [0,2,0,0,0,0|1,1,0]=4 11406 B12R1.31 CCCN(C)Cc1cc(cs1)C 270004a_100000747261_100102525248 [0,2,0,0,0,0|1,1,0]=4 11407 B12R1.31 CCCN(C)Cc1cc(cs1)Cl 270004a_100000747261_100000102487 [0,2,0,0,0,0|1,1,0]=4 11408 B12R1.31 CCCN(C)Cc1cc(no1)Br 269982a_100000747261_100000709089 [0,2,0,0,0,0|2,0,0]=4 11409 B12R1.31 CCCN(C)Cc1cc(no1)Br 270004a_100000747261_100009819588 [0,2,0,0,0,0|2,0,0]=4 11410 B12R1.31 CCCN(C)Cc1cc(no1)C 2230a_100000747261_100000707947 [0,2,0,0,0,0|2,0,0]=4 11411 B12R1.31 CCCN(C)Cc1cc(no1)C 269982a_100000747261_100000707947 [0,2,0,0,0,0|2,0,0]=4 11412 B12R1.31 CCCN(C)Cc1cc(no1)C 270004a_100000747261_100011794430 [0,2,0,0,0,0|2,0,0]=4 11413 B12R1.31 CCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210303 [0,2,0,0,0,0|1,0,0]=3 11414 B12R1.31 CCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210303 [0,2,0,0,0,0|1,0,0]=3 11415 B12R1.31 CCCN(C)Cc1ccc(o1)Br 270004a_100000747261_100000185145 [0,2,0,0,0,0|1,0,0]=3 11416 B12R1.31 CCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210303 [0,2,0,0,0,0|1,0,0]=3 11417 B12R1.31 CCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210303 [0,2,0,0,0,0|1,0,0]=3 11418 B12R1.31 CCCN(C)Cc1ccc(o1)C 270004a_100000747261_100000183696 [0,2,0,0,0,0|1,0,0]=3 11419 B12R1.31 CCCN(C)Cc1ccc(o1)C 34a_100000184526_100000210303 [0,2,0,0,0,0|1,0,0]=3 11420 B12R1.31 CCCN(C)Cc1ccc(o1)Cl 270004a_100000747261_100000188459 [0,2,0,0,0,0|1,0,0]=3 11421 B12R1.31 CCCN(C)Cc1ccc(s1)Br 2230a_100000747261_100000708592 [0,2,0,0,0,0|1,1,0]=4 11422 B12R1.31 CCCN(C)Cc1ccc(s1)Br 269982a_100000747261_100000708592 [0,2,0,0,0,0|1,1,0]=4 11423 B12R1.31 CCCN(C)Cc1ccc(s1)Br 270004a_100000747261_100000179771 [0,2,0,0,0,0|1,1,0]=4 11424 B12R1.31 CCCN(C)Cc1ccc(s1)C 2230a_100000751125_100000210303 [0,2,0,0,0,0|1,1,0]=4 11425 B12R1.31 CCCN(C)Cc1ccc(s1)C 269982a_100000751125_100000210303 [0,2,0,0,0,0|1,1,0]=4 11426 B12R1.31 CCCN(C)Cc1ccc(s1)C 270004a_100000747261_100000211121 [0,2,0,0,0,0|1,1,0]=4 11427 B12R1.31 CCCN(C)Cc1ccc(s1)Cl 2230a_100000747261_100000185097 [0,2,0,0,0,0|1,1,0]=4 11428 B12R1.31 CCCN(C)Cc1ccc(s1)Cl 269982a_100000747261_100000185097 [0,2,0,0,0,0|1,1,0]=4 11429 B12R1.31 CCCN(C)Cc1ccc(s1)Cl 270004a_100000747261_100000242774 [0,2,0,0,0,0|1,1,0]=4 11430 B12R1.31 CCCN(C)Cc1cnc(o1)C 270004a_100000747261_100000084308 [0,2,0,0,0,0|2,0,0]=4 11431 B12R1.31 CN(CCF)Cc1ccc(o1)Br 2230a_100000207588_100011217306 [0,2,0,0,0,0|2,0,0]=4 11432 B12R1.31 CN(CCF)Cc1ccc(o1)Br 269982a_100000207588_100011217306 [0,2,0,0,0,0|2,0,0]=4 11433 B12R1.31 CN(CCO)Cc1cc(co1)Br 270004a_100000210263_100000747035 [0,2,0,0,0,0|2,0,0]=4 11434 B12R1.31 CN(CCO)Cc1ccc(o1)Br 2230a_100000207588_100000211926 [0,2,0,0,0,0|2,0,0]=4 11435 B12R1.31 CN(CCO)Cc1ccc(o1)Br 269982a_100000207588_100000211926 [0,2,0,0,0,0|2,0,0]=4 11436 B12R1.31 CN(CCO)Cc1ccc(o1)Br 270004a_100000210263_100000185145 [0,2,0,0,0,0|2,0,0]=4 11437 B12R1.31 CN(CCO)Cc1ccc(o1)Cl 270004a_100000210263_100000188459 [0,2,0,0,0,0|2,0,0]=4 11438 B12R1.31 COCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000766300 [0,2,0,0,0,0|2,0,0]=4 11439 B12R1.31 COCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000766300 [0,2,0,0,0,0|2,0,0]=4 11440 B12R1.31 COCN(C)Cc1ccc(o1)C 2230a_100000184526_100000766300 [0,2,0,0,0,0|2,0,0]=4 11441 B12R1.31 COCN(C)Cc1ccc(o1)C 269982a_100000184526_100000766300 [0,2,0,0,0,0|2,0,0]=4 11442 B12R1.31 CSCN(C)Cc1ccc(o1)Br 2230a_100000207588_100011218213 [0,2,0,0,0,0|2,0,0]=4 11443 B12R1.31 CSCN(C)Cc1ccc(o1)Br 269982a_100000207588_100011218213 [0,2,0,0,0,0|2,0,0]=4 11444 B12R1.31 CSCN(C)Cc1ccc(o1)C 2230a_100000184526_100011218213 [0,2,0,0,0,0|2,0,0]=4 11445 B12R1.31 CSCN(C)Cc1ccc(o1)C 269982a_100000184526_100011218213 [0,2,0,0,0,0|2,0,0]=4 11446 B12R1.31 CSCN(C)Cc1ccc(o1)C 34a_100000184526_100011218213 [0,2,0,0,0,0|2,0,0]=4 11447 B12R1.31 Cc1ccc(o1)CN(C)CCF 2230a_100000184526_100011217306 [0,2,0,0,0,0|2,0,0]=4 11448 B12R1.31 Cc1ccc(o1)CN(C)CCF 269982a_100000184526_100011217306 [0,2,0,0,0,0|2,0,0]=4 11449 B12R1.31 Cc1ccc(o1)CN(C)CCF 34a_100000184526_100011217306 [0,2,0,0,0,0|2,0,0]=4 11450 B12R1.31 Cc1ccc(o1)CN(C)CCO 2230a_100000184526_100000211926 [0,2,0,0,0,0|2,0,0]=4 11451 B12R1.31 Cc1ccc(o1)CN(C)CCO 269982a_100000184526_100000211926 [0,2,0,0,0,0|2,0,0]=4 11452 B12R1.31 Cc1ccc(o1)CN(C)CCO 270004a_100000210263_100000183696 [0,2,0,0,0,0|2,0,0]=4 11453 B12R1.31 Cc1ccc(o1)CN(C)CCO 34a_100000184526_100000211926 [0,2,0,0,0,0|2,0,0]=4 11454 B12R1.105 C=C(C)CNCc1ccc(o1)Br 34a_100000708654_100000748629 [0,2,0,0,0,0|1,0,1]=4 11455 B12R1.105 C=C(C)CNCc1ccc(o1)C 34a_100011194323_100000748629 [0,2,0,0,0,0|1,0,1]=4 11456 B12R1.105 C=C(C)COCc1ccc(o1)Br 34a_100000246276_100000748629 [0,2,0,0,0,0|1,0,1]=4 11457 B12R1.105 C=C(C)COCc1ccc(o1)Br 7a_100000246276_100000748629 [0,2,0,0,0,0|1,0,1]=4 11458 B12R1.105 C=C(C)COCc1ccc(o1)C 34a_100011232665_100000748629 [0,2,0,0,0,0|1,0,1]=4 11459 B12R1.105 C=C(C)COCc1ccc(o1)C 7a_100011232665_100000748629 [0,2,0,0,0,0|1,0,1]=4 11460 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,2,0,0,0,0|1,0,1]=4 11461 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,2,0,0,0,0|1,0,1]=4 11462 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,2,0,0,0,0|1,0,1]=4 11463 B12R1.105 CC(Br)COCc1cc(cs1)Br 34a_100012180447_100000746031 [0,2,0,0,0,0|1,1,0]=4 11464 B12R1.105 CC(Br)COCc1ccc(s1)Br 34a_100012180447_100000708592 [0,2,0,0,0,0|1,1,0]=4 11465 B12R1.105 CC(Br)COCc1ccc(s1)Cl 34a_100012180447_100000185097 [0,2,0,0,0,0|1,1,0]=4 11466 B12R1.105 CC(C)CCSc1ccc(s1)Br 62a_100000210312_100010197418 [0,2,0,0,0,0|1,1,0]=4 11467 B12R1.105 CC(C)CCSc1ccc(s1)Br 62a_100010197418_100000210312 [0,2,0,0,0,0|1,1,0]=4 11468 B12R1.105 CC(C)CNCc1cc(c[nH]1)Br 270004a_100000210953_100000720742 [0,2,0,0,0,0|2,0,0]=4 11469 B12R1.105 CC(C)CNCc1cc(co1)Br 270004a_100000210953_100000747035 [0,2,0,0,0,0|1,0,0]=3 11470 B12R1.105 CC(C)CNCc1cc(cs1)Br 207a_100000210953_100000211722 [0,2,0,0,0,0|1,1,0]=4 11471 B12R1.105 CC(C)CNCc1cc(cs1)Br 2230a_100000210953_100000746031 [0,2,0,0,0,0|1,1,0]=4 11472 B12R1.105 CC(C)CNCc1cc(cs1)Br 2230a_100000741024_100000210760 [0,2,0,0,0,0|1,1,0]=4 11473 B12R1.105 CC(C)CNCc1cc(cs1)Br 270004a_100000210953_100000211722 [0,2,0,0,0,0|1,1,0]=4 11474 B12R1.105 CC(C)CNCc1cc(cs1)Br 270004a_100000741024_100000210432 [0,2,0,0,0,0|1,1,0]=4 11475 B12R1.105 CC(C)CNCc1cc(cs1)Br 34a_100000210953_100000746031 [0,2,0,0,0,0|1,1,0]=4 11476 B12R1.105 CC(C)CNCc1cc(cs1)Br 34a_100000741024_100000210624 [0,2,0,0,0,0|1,1,0]=4 11477 B12R1.105 CC(C)CNCc1cc(cs1)Cl 207a_100000210953_100000102487 [0,2,0,0,0,0|1,1,0]=4 11478 B12R1.105 CC(C)CNCc1cc(cs1)Cl 270004a_100000210953_100000102487 [0,2,0,0,0,0|1,1,0]=4 11479 B12R1.105 CC(C)CNCc1cc(cs1)I 207a_100000210953_100010179861 [0,2,0,0,0,0|1,1,0]=4 11480 B12R1.105 CC(C)CNCc1cc(no1)Br 2230a_100015193020_100000210760 [0,2,0,0,0,0|2,0,0]=4 11481 B12R1.105 CC(C)CNCc1cc(no1)Br 270004a_100000210953_100009819588 [0,2,0,0,0,0|2,0,0]=4 11482 B12R1.105 CC(C)CNCc1cc(no1)Br 34a_100015193020_100000210624 [0,2,0,0,0,0|2,0,0]=4 11483 B12R1.105 CC(C)CNCc1ccc(o1)Br 207a_100000210953_100000185145 [0,2,0,0,0,0|1,0,0]=3 11484 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000210953_100000185145 [0,2,0,0,0,0|1,0,0]=3 11485 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000708654_100000210432 [0,2,0,0,0,0|1,0,0]=3 11486 B12R1.105 CC(C)CNCc1ccc(o1)Br 34a_100000708654_100000210624 [0,2,0,0,0,0|1,0,0]=3 11487 B12R1.105 CC(C)CNCc1ccc(o1)Cl 207a_100000210953_100000188459 [0,2,0,0,0,0|1,0,0]=3 11488 B12R1.105 CC(C)CNCc1ccc(o1)Cl 270004a_100000210953_100000188459 [0,2,0,0,0,0|1,0,0]=3 11489 B12R1.105 CC(C)CNCc1ccc(o1)I 207a_100000210953_100000186757 [0,2,0,0,0,0|1,0,0]=3 11490 B12R1.105 CC(C)CNCc1ccc(s1)Br 207a_100000210953_100000179771 [0,2,0,0,0,0|1,1,0]=4 11491 B12R1.105 CC(C)CNCc1ccc(s1)Br 2230a_100000210953_100000708592 [0,2,0,0,0,0|1,1,0]=4 11492 B12R1.105 CC(C)CNCc1ccc(s1)Br 270004a_100000210953_100000179771 [0,2,0,0,0,0|1,1,0]=4 11493 B12R1.105 CC(C)CNCc1ccc(s1)Br 270004a_100000737305_100000210432 [0,2,0,0,0,0|1,1,0]=4 11494 B12R1.105 CC(C)CNCc1ccc(s1)Br 34a_100000210953_100000708592 [0,2,0,0,0,0|1,1,0]=4 11495 B12R1.105 CC(C)CNCc1ccc(s1)Cl 207a_100000210953_100000242774 [0,2,0,0,0,0|1,1,0]=4 11496 B12R1.105 CC(C)CNCc1ccc(s1)Cl 2230a_100000210953_100000185097 [0,2,0,0,0,0|1,1,0]=4 11497 B12R1.105 CC(C)CNCc1ccc(s1)Cl 2230a_100000737310_100000210760 [0,2,0,0,0,0|1,1,0]=4 11498 B12R1.105 CC(C)CNCc1ccc(s1)Cl 270004a_100000210953_100000242774 [0,2,0,0,0,0|1,1,0]=4 11499 B12R1.105 CC(C)CNCc1ccc(s1)Cl 270004a_100000737310_100000210432 [0,2,0,0,0,0|1,1,0]=4 11500 B12R1.105 CC(C)CNCc1ccc(s1)Cl 34a_100000210953_100000185097 [0,2,0,0,0,0|1,1,0]=4 11501 B12R1.105 CC(C)COCc1cc(cs1)Br 34a_100000210257_100000746031 [0,2,0,0,0,0|1,1,0]=4 11502 B12R1.105 CC(C)COCc1cc(cs1)Br 34a_100000238369_100000210624 [0,2,0,0,0,0|1,1,0]=4 11503 B12R1.105 CC(C)COCc1cc(cs1)Br 7a_100000238369_100000210760 [0,2,0,0,0,0|1,1,0]=4 11504 B12R1.105 CC(C)COCc1cc(no1)Br 34a_100009816691_100000210624 [0,2,0,0,0,0|2,0,0]=4 11505 B12R1.105 CC(C)COCc1ccc(o1)Br 34a_100000246276_100000210624 [0,2,0,0,0,0|1,0,0]=3 11506 B12R1.105 CC(C)COCc1ccc(o1)Br 7a_100000246276_100000210760 [0,2,0,0,0,0|1,0,0]=3 11507 B12R1.105 CC(C)COCc1ccc(s1)Br 34a_100000210257_100000708592 [0,2,0,0,0,0|1,1,0]=4 11508 B12R1.105 CC(C)COCc1ccc(s1)Cl 34a_100000210257_100000185097 [0,2,0,0,0,0|1,1,0]=4 11509 B12R1.105 CC(C)CSCc1cc(cs1)Br 62a_100000210624_100000746031 [0,2,0,0,0,0|1,1,0]=4 11510 B12R1.105 CC(C)CSCc1cc(cs1)Br 62a_100000746031_100000210760 [0,2,0,0,0,0|1,1,0]=4 11511 B12R1.105 CC(C)CSCc1cc(no1)Br 62a_100000210624_100000709089 [0,2,0,0,0,0|2,0,0]=4 11512 B12R1.105 CC(C)CSCc1cc(no1)Br 62a_100000709089_100000210760 [0,2,0,0,0,0|2,0,0]=4 11513 B12R1.105 CC(C)CSCc1ccc(s1)Br 62a_100000210624_100000708592 [0,2,0,0,0,0|1,1,0]=4 11514 B12R1.105 CC(C)CSCc1ccc(s1)Br 62a_100000708592_100000210760 [0,2,0,0,0,0|1,1,0]=4 11515 B12R1.105 CC(C)CSCc1ccc(s1)Cl 62a_100000185097_100000210760 [0,2,0,0,0,0|1,1,0]=4 11516 B12R1.105 CC(C)CSCc1ccc(s1)Cl 62a_100000210624_100000185097 [0,2,0,0,0,0|1,1,0]=4 11517 B12R1.105 CC(C)NCCc1ccc(s1)Br 2230a_100000217605_100000210206 [0,2,0,0,0,0|1,1,0]=4 11518 B12R1.105 CC(C)OCCc1cc(no1)Br 34a_100009816916_100000210206 [0,2,0,0,0,0|2,0,0]=4 11519 B12R1.105 CC(F)COCc1cc(cs1)Br 34a_100015925927_100000746031 [0,2,0,0,0,0|1,1,0]=4 11520 B12R1.105 CC(F)COCc1ccc(s1)Br 34a_100015925927_100000708592 [0,2,0,0,0,0|1,1,0]=4 11521 B12R1.105 CC(F)COCc1ccc(s1)Cl 34a_100015925927_100000185097 [0,2,0,0,0,0|1,1,0]=4 11522 B12R1.105 CC(O)CCSc1ccc(s1)Br 62a_100010197418_100012276601 [0,2,0,0,0,0|1,1,0]=4 11523 B12R1.105 CC(O)CCSc1ccc(s1)Br 62a_100012276601_100010197418 [0,2,0,0,0,0|1,1,0]=4 11524 B12R1.105 CC(O)CNCc1cc(c[nH]1)Br 270004a_100000210904_100000720742 [0,2,0,0,0,0|2,0,0]=4 11525 B12R1.105 CC(O)CNCc1cc(co1)Br 270004a_100000210904_100000747035 [0,2,0,0,0,0|1,0,0]=3 11526 B12R1.105 CC(O)CNCc1cc(cs1)Br 207a_100000210904_100000211722 [0,2,0,0,0,0|1,1,0]=4 11527 B12R1.105 CC(O)CNCc1cc(cs1)Br 2230a_100000210904_100000746031 [0,2,0,0,0,0|1,1,0]=4 11528 B12R1.105 CC(O)CNCc1cc(cs1)Br 2230a_100000741024_100011218427 [0,2,0,0,0,0|1,1,0]=4 11529 B12R1.105 CC(O)CNCc1cc(cs1)Br 270004a_100000210904_100000211722 [0,2,0,0,0,0|1,1,0]=4 11530 B12R1.105 CC(O)CNCc1cc(cs1)Br 34a_100000210904_100000746031 [0,2,0,0,0,0|1,1,0]=4 11531 B12R1.105 CC(O)CNCc1cc(cs1)Br 34a_100000741024_100011218427 [0,2,0,0,0,0|1,1,0]=4 11532 B12R1.105 CC(O)CNCc1cc(cs1)Cl 207a_100000210904_100000102487 [0,2,0,0,0,0|1,1,0]=4 11533 B12R1.105 CC(O)CNCc1cc(cs1)Cl 270004a_100000210904_100000102487 [0,2,0,0,0,0|1,1,0]=4 11534 B12R1.105 CC(O)CNCc1cc(cs1)I 207a_100000210904_100010179861 [0,2,0,0,0,0|1,1,0]=4 11535 B12R1.105 CC(O)CNCc1cc(no1)Br 2230a_100015193020_100011218427 [0,2,0,0,0,0|2,0,0]=4 11536 B12R1.105 CC(O)CNCc1cc(no1)Br 270004a_100000210904_100009819588 [0,2,0,0,0,0|2,0,0]=4 11537 B12R1.105 CC(O)CNCc1cc(no1)Br 34a_100015193020_100011218427 [0,2,0,0,0,0|2,0,0]=4 11538 B12R1.105 CC(O)CNCc1ccc(o1)Br 207a_100000210904_100000185145 [0,2,0,0,0,0|1,0,0]=3 11539 B12R1.105 CC(O)CNCc1ccc(o1)Br 270004a_100000210904_100000185145 [0,2,0,0,0,0|1,0,0]=3 11540 B12R1.105 CC(O)CNCc1ccc(o1)Br 34a_100000708654_100011218427 [0,2,0,0,0,0|1,0,0]=3 11541 B12R1.105 CC(O)CNCc1ccc(o1)Cl 207a_100000210904_100000188459 [0,2,0,0,0,0|1,0,0]=3 11542 B12R1.105 CC(O)CNCc1ccc(o1)Cl 270004a_100000210904_100000188459 [0,2,0,0,0,0|1,0,0]=3 11543 B12R1.105 CC(O)CNCc1ccc(o1)I 207a_100000210904_100000186757 [0,2,0,0,0,0|1,0,0]=3 11544 B12R1.105 CC(O)CNCc1ccc(s1)Br 207a_100000210904_100000179771 [0,2,0,0,0,0|1,1,0]=4 11545 B12R1.105 CC(O)CNCc1ccc(s1)Br 2230a_100000210904_100000708592 [0,2,0,0,0,0|1,1,0]=4 11546 B12R1.105 CC(O)CNCc1ccc(s1)Br 270004a_100000210904_100000179771 [0,2,0,0,0,0|1,1,0]=4 11547 B12R1.105 CC(O)CNCc1ccc(s1)Br 34a_100000210904_100000708592 [0,2,0,0,0,0|1,1,0]=4 11548 B12R1.105 CC(O)CNCc1ccc(s1)Cl 207a_100000210904_100000242774 [0,2,0,0,0,0|1,1,0]=4 11549 B12R1.105 CC(O)CNCc1ccc(s1)Cl 2230a_100000210904_100000185097 [0,2,0,0,0,0|1,1,0]=4 11550 B12R1.105 CC(O)CNCc1ccc(s1)Cl 2230a_100000737310_100011218427 [0,2,0,0,0,0|1,1,0]=4 11551 B12R1.105 CC(O)CNCc1ccc(s1)Cl 270004a_100000210904_100000242774 [0,2,0,0,0,0|1,1,0]=4 11552 B12R1.105 CC(O)CNCc1ccc(s1)Cl 34a_100000210904_100000185097 [0,2,0,0,0,0|1,1,0]=4 11553 B12R1.105 CC(O)COCc1cc(cs1)Br 34a_100000238369_100011218427 [0,2,0,0,0,0|1,1,0]=4 11554 B12R1.105 CC(O)COCc1cc(cs1)Br 7a_100000238369_100011218427 [0,2,0,0,0,0|1,1,0]=4 11555 B12R1.105 CC(O)COCc1cc(no1)Br 34a_100009816691_100011218427 [0,2,0,0,0,0|2,0,0]=4 11556 B12R1.105 CC(O)COCc1ccc(o1)Br 34a_100000246276_100011218427 [0,2,0,0,0,0|1,0,0]=3 11557 B12R1.105 CC(O)COCc1ccc(o1)Br 7a_100000246276_100011218427 [0,2,0,0,0,0|1,0,0]=3 11558 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100000746031_100011218427 [0,2,0,0,0,0|1,1,0]=4 11559 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100011218427_100000746031 [0,2,0,0,0,0|1,1,0]=4 11560 B12R1.105 CC(O)CSCc1cc(no1)Br 62a_100000709089_100011218427 [0,2,0,0,0,0|2,0,0]=4 11561 B12R1.105 CC(O)CSCc1cc(no1)Br 62a_100011218427_100000709089 [0,2,0,0,0,0|2,0,0]=4 11562 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100000708592_100011218427 [0,2,0,0,0,0|1,1,0]=4 11563 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100011218427_100000708592 [0,2,0,0,0,0|1,1,0]=4 11564 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100000185097_100011218427 [0,2,0,0,0,0|1,1,0]=4 11565 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100011218427_100000185097 [0,2,0,0,0,0|1,1,0]=4 11566 B12R1.105 C[C@@H](Cl)COCc1cc(cs1)Br 34a_100016084084_100000746031 [0,2,0,0,0,0|1,1,0]=4 11567 B12R1.105 C[C@@H](Cl)COCc1ccc(s1)Br 34a_100016084084_100000708592 [0,2,0,0,0,0|1,1,0]=4 11568 B12R1.105 C[C@@H](Cl)COCc1ccc(s1)Cl 34a_100016084084_100000185097 [0,2,0,0,0,0|1,1,0]=4 11569 B12R1.105 C[C@@H](N)COCc1cc(cs1)Br 34a_100000737577_100000746031 [0,2,0,0,0,0|1,1,0]=4 11570 B12R1.105 C[C@@H](N)COCc1ccc(s1)Br 34a_100000737577_100000708592 [0,2,0,0,0,0|1,1,0]=4 11571 B12R1.105 C[C@@H](N)COCc1ccc(s1)Cl 34a_100000737577_100000185097 [0,2,0,0,0,0|1,1,0]=4 11572 B12R1.105 C[C@@H](O)CNCc1cc(cs1)Br 2230a_100000741024_100009817552 [0,2,0,0,0,0|1,1,0]=4 11573 B12R1.105 C[C@@H](O)CNCc1cc(cs1)Br 34a_100000741024_100009817552 [0,2,0,0,0,0|1,1,0]=4 11574 B12R1.105 C[C@@H](O)CNCc1cc(no1)Br 2230a_100015193020_100009817552 [0,2,0,0,0,0|2,0,0]=4 11575 B12R1.105 C[C@@H](O)CNCc1cc(no1)Br 34a_100015193020_100009817552 [0,2,0,0,0,0|2,0,0]=4 11576 B12R1.105 C[C@@H](O)CNCc1ccc(o1)Br 34a_100000708654_100009817552 [0,2,0,0,0,0|1,0,0]=3 11577 B12R1.105 C[C@@H](O)CNCc1ccc(s1)Cl 2230a_100000737310_100009817552 [0,2,0,0,0,0|1,1,0]=4 11578 B12R1.105 C[C@@H](O)COCc1cc(cs1)Br 34a_100000238369_100009817552 [0,2,0,0,0,0|1,1,0]=4 11579 B12R1.105 C[C@@H](O)COCc1cc(cs1)Br 7a_100000238369_100009817552 [0,2,0,0,0,0|1,1,0]=4 11580 B12R1.105 C[C@@H](O)COCc1cc(no1)Br 34a_100009816691_100009817552 [0,2,0,0,0,0|2,0,0]=4 11581 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 34a_100000246276_100009817552 [0,2,0,0,0,0|1,0,0]=3 11582 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 7a_100000246276_100009817552 [0,2,0,0,0,0|1,0,0]=3 11583 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100000746031_100009817552 [0,2,0,0,0,0|1,1,0]=4 11584 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100009817552_100000746031 [0,2,0,0,0,0|1,1,0]=4 11585 B12R1.105 C[C@@H](O)CSCc1cc(no1)Br 62a_100000709089_100009817552 [0,2,0,0,0,0|2,0,0]=4 11586 B12R1.105 C[C@@H](O)CSCc1cc(no1)Br 62a_100009817552_100000709089 [0,2,0,0,0,0|2,0,0]=4 11587 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100000708592_100009817552 [0,2,0,0,0,0|1,1,0]=4 11588 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100009817552_100000708592 [0,2,0,0,0,0|1,1,0]=4 11589 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100000185097_100009817552 [0,2,0,0,0,0|1,1,0]=4 11590 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100009817552_100000185097 [0,2,0,0,0,0|1,1,0]=4 11591 B12R1.105 Cc1cc(on1)CNCC(C)C 207a_100000210953_100011794430 [0,2,0,0,0,0|2,0,0]=4 11592 B12R1.105 Cc1cc(on1)CNCC(C)C 2230a_100000210953_100000707947 [0,2,0,0,0,0|2,0,0]=4 11593 B12R1.105 Cc1cc(on1)CNCC(C)C 2230a_100000745748_100000210760 [0,2,0,0,0,0|2,0,0]=4 11594 B12R1.105 Cc1cc(on1)CNCC(C)C 270004a_100000210953_100011794430 [0,2,0,0,0,0|2,0,0]=4 11595 B12R1.105 Cc1cc(on1)CNCC(C)C 270004a_100000745748_100000210432 [0,2,0,0,0,0|2,0,0]=4 11596 B12R1.105 Cc1cc(on1)CNCC(C)C 34a_100000210953_100000707947 [0,2,0,0,0,0|2,0,0]=4 11597 B12R1.105 Cc1cc(on1)CNCC(C)C 34a_100000745748_100000210624 [0,2,0,0,0,0|2,0,0]=4 11598 B12R1.105 Cc1cc(on1)CNCC(C)O 207a_100000210904_100011794430 [0,2,0,0,0,0|2,0,0]=4 11599 B12R1.105 Cc1cc(on1)CNCC(C)O 2230a_100000210904_100000707947 [0,2,0,0,0,0|2,0,0]=4 11600 B12R1.105 Cc1cc(on1)CNCC(C)O 2230a_100000745748_100011218427 [0,2,0,0,0,0|2,0,0]=4 11601 B12R1.105 Cc1cc(on1)CNCC(C)O 270004a_100000210904_100011794430 [0,2,0,0,0,0|2,0,0]=4 11602 B12R1.105 Cc1cc(on1)CNCC(C)O 34a_100000210904_100000707947 [0,2,0,0,0,0|2,0,0]=4 11603 B12R1.105 Cc1cc(on1)CNCC(C)O 34a_100000745748_100011218427 [0,2,0,0,0,0|2,0,0]=4 11604 B12R1.105 Cc1cc(on1)CNC[C@@H](C)O 2230a_100000745748_100009817552 [0,2,0,0,0,0|2,0,0]=4 11605 B12R1.105 Cc1cc(on1)CNC[C@@H](C)O 34a_100000745748_100009817552 [0,2,0,0,0,0|2,0,0]=4 11606 B12R1.105 Cc1cc(on1)COCC(C)Br 34a_100012180447_100000707947 [0,2,0,0,0,0|2,0,0]=4 11607 B12R1.105 Cc1cc(on1)COCC(C)C 34a_100000210257_100000707947 [0,2,0,0,0,0|2,0,0]=4 11608 B12R1.105 Cc1cc(on1)COCC(C)C 34a_100000684692_100000210624 [0,2,0,0,0,0|2,0,0]=4 11609 B12R1.105 Cc1cc(on1)COCC(C)F 34a_100015925927_100000707947 [0,2,0,0,0,0|2,0,0]=4 11610 B12R1.105 Cc1cc(on1)COCC(C)O 34a_100000684692_100011218427 [0,2,0,0,0,0|2,0,0]=4 11611 B12R1.105 Cc1cc(on1)COC[C@@H](C)Cl 34a_100016084084_100000707947 [0,2,0,0,0,0|2,0,0]=4 11612 B12R1.105 Cc1cc(on1)COC[C@@H](C)N 34a_100000737577_100000707947 [0,2,0,0,0,0|2,0,0]=4 11613 B12R1.105 Cc1cc(on1)COC[C@@H](C)O 34a_100000684692_100009817552 [0,2,0,0,0,0|2,0,0]=4 11614 B12R1.105 Cc1cc(on1)CSCC(C)C 62a_100000210624_100000707947 [0,2,0,0,0,0|2,0,0]=4 11615 B12R1.105 Cc1cc(on1)CSCC(C)C 62a_100000707947_100000210760 [0,2,0,0,0,0|2,0,0]=4 11616 B12R1.105 Cc1cc(on1)CSCC(C)O 62a_100000707947_100011218427 [0,2,0,0,0,0|2,0,0]=4 11617 B12R1.105 Cc1cc(on1)CSCC(C)O 62a_100011218427_100000707947 [0,2,0,0,0,0|2,0,0]=4 11618 B12R1.105 Cc1cc(on1)CSC[C@@H](C)O 62a_100000707947_100009817552 [0,2,0,0,0,0|2,0,0]=4 11619 B12R1.105 Cc1cc(on1)CSC[C@@H](C)O 62a_100009817552_100000707947 [0,2,0,0,0,0|2,0,0]=4 11620 B12R1.105 Cc1ccc(o1)CCNC(C)C 2230a_100000739271_100000210206 [0,2,0,0,0,0|1,0,0]=3 11621 B12R1.105 Cc1ccc(o1)CCNC(C)C 34a_100000739271_100000210206 [0,2,0,0,0,0|1,0,0]=3 11622 B12R1.105 Cc1ccc(o1)CCOC(C)C 34a_100012161071_100000210206 [0,2,0,0,0,0|1,0,0]=3 11623 B12R1.105 Cc1ccc(o1)CCOC(C)C 7a_100012161071_100000210206 [0,2,0,0,0,0|1,0,0]=3 11624 B12R1.105 Cc1ccc(o1)CNCC(C)C 207a_100000210953_100000183696 [0,2,0,0,0,0|1,0,0]=3 11625 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100000210953_100000183696 [0,2,0,0,0,0|1,0,0]=3 11626 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100011194323_100000210432 [0,2,0,0,0,0|1,0,0]=3 11627 B12R1.105 Cc1ccc(o1)CNCC(C)C 34a_100011194323_100000210624 [0,2,0,0,0,0|1,0,0]=3 11628 B12R1.105 Cc1ccc(o1)CNCC(C)O 207a_100000210904_100000183696 [0,2,0,0,0,0|1,0,0]=3 11629 B12R1.105 Cc1ccc(o1)CNCC(C)O 270004a_100000210904_100000183696 [0,2,0,0,0,0|1,0,0]=3 11630 B12R1.105 Cc1ccc(o1)CNCC(C)O 34a_100011194323_100011218427 [0,2,0,0,0,0|1,0,0]=3 11631 B12R1.105 Cc1ccc(o1)CNCC(F)F 207a_100000765723_100000183696 [0,2,0,0,0,0|2,0,0]=4 11632 B12R1.105 Cc1ccc(o1)CNCC(F)F 270004a_100000765723_100000183696 [0,2,0,0,0,0|2,0,0]=4 11633 B12R1.105 Cc1ccc(o1)CNCC(F)F 34a_100011194323_100011934356 [0,2,0,0,0,0|2,0,0]=4 11634 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O 34a_100011194323_100009817552 [0,2,0,0,0,0|1,0,0]=3 11635 B12R1.105 Cc1ccc(o1)COCC(C)C 34a_100011232665_100000210624 [0,2,0,0,0,0|1,0,0]=3 11636 B12R1.105 Cc1ccc(o1)COCC(C)C 7a_100011232665_100000210760 [0,2,0,0,0,0|1,0,0]=3 11637 B12R1.105 Cc1ccc(o1)COCC(C)O 34a_100011232665_100011218427 [0,2,0,0,0,0|1,0,0]=3 11638 B12R1.105 Cc1ccc(o1)COCC(C)O 7a_100011232665_100011218427 [0,2,0,0,0,0|1,0,0]=3 11639 B12R1.105 Cc1ccc(o1)COCC(F)F 34a_100011232665_100011934356 [0,2,0,0,0,0|2,0,0]=4 11640 B12R1.105 Cc1ccc(o1)COCC(F)F 7a_100011232665_100011934356 [0,2,0,0,0,0|2,0,0]=4 11641 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 34a_100011232665_100009817552 [0,2,0,0,0,0|1,0,0]=3 11642 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 7a_100011232665_100009817552 [0,2,0,0,0,0|1,0,0]=3 11643 B12R1.105 Cc1ccc(s1)CNCC(C)C 207a_100000210953_100000211121 [0,2,0,0,0,0|1,1,0]=4 11644 B12R1.105 Cc1ccc(s1)CNCC(C)C 2230a_100000238518_100000210760 [0,2,0,0,0,0|1,1,0]=4 11645 B12R1.105 Cc1ccc(s1)CNCC(C)C 270004a_100000210953_100000211121 [0,2,0,0,0,0|1,1,0]=4 11646 B12R1.105 Cc1ccc(s1)CNCC(C)C 270004a_100000238518_100000210432 [0,2,0,0,0,0|1,1,0]=4 11647 B12R1.105 Cc1ccc(s1)CNCC(C)O 207a_100000210904_100000211121 [0,2,0,0,0,0|1,1,0]=4 11648 B12R1.105 Cc1ccc(s1)CNCC(C)O 2230a_100000238518_100011218427 [0,2,0,0,0,0|1,1,0]=4 11649 B12R1.105 Cc1ccc(s1)CNCC(C)O 270004a_100000210904_100000211121 [0,2,0,0,0,0|1,1,0]=4 11650 B12R1.105 Cc1ccc(s1)CNC[C@@H](C)O 2230a_100000238518_100009817552 [0,2,0,0,0,0|1,1,0]=4 11651 B12R1.105 Cc1ccc(s1)COCC(C)C 34a_100000238367_100000210624 [0,2,0,0,0,0|1,1,0]=4 11652 B12R1.105 Cc1ccc(s1)COCC(C)O 34a_100000238367_100011218427 [0,2,0,0,0,0|1,1,0]=4 11653 B12R1.105 Cc1ccc(s1)COC[C@@H](C)O 34a_100000238367_100009817552 [0,2,0,0,0,0|1,1,0]=4 11654 B12R1.105 Cc1ccc(s1)SCCC(C)C 62a_100000031368_100000210312 [0,2,0,0,0,0|1,1,0]=4 11655 B12R1.105 Cc1ccc(s1)SCCC(C)C 62a_100000210312_100000031368 [0,2,0,0,0,0|1,1,0]=4 11656 B12R1.105 Cc1ccc(s1)SCCC(C)O 62a_100000031368_100012276601 [0,2,0,0,0,0|1,1,0]=4 11657 B12R1.105 Cc1ccc(s1)SCCC(C)O 62a_100012276601_100000031368 [0,2,0,0,0,0|1,1,0]=4 11658 B12R1.105 Cc1cnc(o1)CNCC(C)C 2230a_100138411809_100000210760 [0,2,0,0,0,0|2,0,0]=4 11659 B12R1.105 Cc1cnc(o1)CNCC(C)C 34a_100138411809_100000210624 [0,2,0,0,0,0|2,0,0]=4 11660 B12R1.105 Cc1cnc(o1)CNCC(C)O 2230a_100138411809_100011218427 [0,2,0,0,0,0|2,0,0]=4 11661 B12R1.105 Cc1cnc(o1)CNCC(C)O 34a_100138411809_100011218427 [0,2,0,0,0,0|2,0,0]=4 11662 B12R1.105 Cc1cnc(o1)CNC[C@@H](C)O 2230a_100138411809_100009817552 [0,2,0,0,0,0|2,0,0]=4 11663 B12R1.105 Cc1cnc(o1)CNC[C@@H](C)O 34a_100138411809_100009817552 [0,2,0,0,0,0|2,0,0]=4 11664 B12R1.105 Cc1csc(c1)CNCC(C)C 207a_100000210953_100102525248 [0,2,0,0,0,0|1,1,0]=4 11665 B12R1.105 Cc1csc(c1)CNCC(C)C 2230a_100015204214_100000210760 [0,2,0,0,0,0|1,1,0]=4 11666 B12R1.105 Cc1csc(c1)CNCC(C)C 270004a_100000210953_100102525248 [0,2,0,0,0,0|1,1,0]=4 11667 B12R1.105 Cc1csc(c1)CNCC(C)C 270004a_100015204214_100000210432 [0,2,0,0,0,0|1,1,0]=4 11668 B12R1.105 Cc1csc(c1)CNCC(C)C 34a_100015204214_100000210624 [0,2,0,0,0,0|1,1,0]=4 11669 B12R1.105 Cc1csc(c1)CNCC(C)O 207a_100000210904_100102525248 [0,2,0,0,0,0|1,1,0]=4 11670 B12R1.105 Cc1csc(c1)CNCC(C)O 2230a_100015204214_100011218427 [0,2,0,0,0,0|1,1,0]=4 11671 B12R1.105 Cc1csc(c1)CNCC(C)O 270004a_100000210904_100102525248 [0,2,0,0,0,0|1,1,0]=4 11672 B12R1.105 Cc1csc(c1)CNCC(C)O 34a_100015204214_100011218427 [0,2,0,0,0,0|1,1,0]=4 11673 B12R1.105 Cc1csc(c1)CNC[C@@H](C)O 2230a_100015204214_100009817552 [0,2,0,0,0,0|1,1,0]=4 11674 B12R1.105 Cc1csc(c1)CNC[C@@H](C)O 34a_100015204214_100009817552 [0,2,0,0,0,0|1,1,0]=4 11675 B12R1.105 Cc1csc(c1)COCC(C)C 34a_200000068372_100000210624 [0,2,0,0,0,0|1,1,0]=4 11676 B12R1.105 Cc1csc(c1)COCC(C)C 7a_200000068372_100000210760 [0,2,0,0,0,0|1,1,0]=4 11677 B12R1.105 Cc1csc(c1)COCC(C)O 34a_200000068372_100011218427 [0,2,0,0,0,0|1,1,0]=4 11678 B12R1.105 Cc1csc(c1)COCC(C)O 7a_200000068372_100011218427 [0,2,0,0,0,0|1,1,0]=4 11679 B12R1.105 Cc1csc(c1)COC[C@@H](C)O 34a_200000068372_100009817552 [0,2,0,0,0,0|1,1,0]=4 11680 B12R1.105 Cc1csc(c1)COC[C@@H](C)O 7a_200000068372_100009817552 [0,2,0,0,0,0|1,1,0]=4 11681 B12R1.105 Cc1csc(c1)SCCC(C)C 62a_100000210312_100009876951 [0,2,0,0,0,0|1,1,0]=4 11682 B12R1.105 Cc1csc(c1)SCCC(C)C 62a_100009876951_100000210312 [0,2,0,0,0,0|1,1,0]=4 11683 B12R1.105 Cc1csc(c1)SCCC(C)O 62a_100009876951_100012276601 [0,2,0,0,0,0|1,1,0]=4 11684 B12R1.105 Cc1csc(c1)SCCC(C)O 62a_100012276601_100009876951 [0,2,0,0,0,0|1,1,0]=4 11685 B12R1.105 Cc1ncc(o1)CNCC(C)C 207a_100000210953_100000084308 [0,2,0,0,0,0|2,0,0]=4 11686 B12R1.105 Cc1ncc(o1)CNCC(C)C 270004a_100000210953_100000084308 [0,2,0,0,0,0|2,0,0]=4 11687 B12R1.105 Cc1ncc(o1)CNCC(C)O 207a_100000210904_100000084308 [0,2,0,0,0,0|2,0,0]=4 11688 B12R1.105 Cc1ncc(o1)CNCC(C)O 270004a_100000210904_100000084308 [0,2,0,0,0,0|2,0,0]=4 11689 B12R1.105 Cc1noc(n1)CCCC(C)C 270196a_100000212224_100011216857 [0,2,0,0,0,0|2,0,0]=4 11690 B12R1.105 Cc1noc(n1)CCCC(C)O 270196a_100000212224_100000761597 [0,2,0,0,0,0|2,0,0]=4 11691 B12R1.105 FC(F)CNCc1cc(co1)Br 270004a_100000765723_100000747035 [0,2,0,0,0,0|2,0,0]=4 11692 B12R1.105 FC(F)CNCc1ccc(o1)Br 207a_100000765723_100000185145 [0,2,0,0,0,0|2,0,0]=4 11693 B12R1.105 FC(F)CNCc1ccc(o1)Br 270004a_100000765723_100000185145 [0,2,0,0,0,0|2,0,0]=4 11694 B12R1.105 FC(F)CNCc1ccc(o1)Br 34a_100000708654_100011934356 [0,2,0,0,0,0|2,0,0]=4 11695 B12R1.105 FC(F)CNCc1ccc(o1)Cl 207a_100000765723_100000188459 [0,2,0,0,0,0|2,0,0]=4 11696 B12R1.105 FC(F)CNCc1ccc(o1)Cl 270004a_100000765723_100000188459 [0,2,0,0,0,0|2,0,0]=4 11697 B12R1.105 FC(F)CNCc1ccc(o1)I 207a_100000765723_100000186757 [0,2,0,0,0,0|2,0,0]=4 11698 B12R1.105 FC(F)COCc1ccc(o1)Br 34a_100000246276_100011934356 [0,2,0,0,0,0|2,0,0]=4 11699 B12R1.105 FC(F)COCc1ccc(o1)Br 7a_100000246276_100011934356 [0,2,0,0,0,0|2,0,0]=4 11700 B12R1.455 CCCC=Cc1ccc(o1)C#N 271570a_100016258520_100000764468 [0,2,0,0,0,0|0,0,2]=4 11701 B12R1.455 CCCC=Cc1ccc(o1)C=O 271570a_100016258520_100000185145 [0,2,0,0,0,0|0,0,2]=4 11702 B12R1.455 CCCC=Cc1ccc(o1)CN 271570a_100016258520_100000708654 [0,2,0,0,0,0|0,0,2]=4 11703 B12R1.455 CCCC=Cc1ccc(o1)CO 271570a_100016258520_100000246276 [0,2,0,0,0,0|0,0,2]=4 11704 B12R1.455 CCCCCc1nc(no1)CC 270196a_200000212204_100000212188 [0,2,0,0,0,0|2,0,0]=4 11705 B12R1.455 CCCCCc1nc(no1)CF 270196a_200000032654_100000212188 [0,2,0,0,0,0|2,0,0]=4 11706 B12R1.455 CCCCSc1cc(c[nH]1)C=O 62a_100000210211_100009882863 [0,2,0,0,0,0|2,0,0]=4 11707 B12R1.455 CCCCSc1cc(c[nH]1)C=O 62a_100009882863_100000210210 [0,2,0,0,0,0|2,0,0]=4 11708 B12R1.455 CCCCSc1cc(cs1)C=O 62a_100000210211_100000737087 [0,2,0,0,0,0|1,1,0]=4 11709 B12R1.455 CCCCSc1cc(cs1)C=O 62a_100000737087_100000210210 [0,2,0,0,0,0|1,1,0]=4 11710 B12R1.455 CCCCSc1ccc([nH]1)C=O 62a_100000210211_100009875417 [0,2,0,0,0,0|2,0,0]=4 11711 B12R1.455 CCCCSc1ccc(o1)C#N 62a_100000210211_100000764468 [0,2,0,0,0,0|1,0,0]=3 11712 B12R1.455 CCCCSc1ccc(o1)C=O 62a_100000210211_100000186757 [0,2,0,0,0,0|1,0,0]=3 11713 B12R1.455 CCCCSc1ccc(o1)CN 62a_100000210211_100000708654 [0,2,0,0,0,0|1,0,0]=3 11714 B12R1.455 CCCCSc1ccc(o1)CO 62a_100000210211_100000246276 [0,2,0,0,0,0|1,0,0]=3 11715 B12R1.455 CCCCSc1ccc(o1)CO 62a_100000246276_100000210210 [0,2,0,0,0,0|1,0,0]=3 11716 B12R1.455 CCCCSc1ccc(s1)C#N 62a_100000210211_100000737243 [0,2,0,0,0,0|1,1,0]=4 11717 B12R1.455 CCCCSc1ccc(s1)C=O 62a_100000179771_100000210210 [0,2,0,0,0,0|1,1,0]=4 11718 B12R1.455 CCCCSc1ccc(s1)C=O 62a_100000210211_100000179771 [0,2,0,0,0,0|1,1,0]=4 11719 B12R1.455 CCCCSc1ccc(s1)CC 62a_100000210211_100009844052 [0,2,0,0,0,0|1,1,0]=4 11720 B12R1.455 CCCCSc1ccc(s1)CC 62a_100009844052_100000210210 [0,2,0,0,0,0|1,1,0]=4 11721 B12R1.455 CCCCSc1ccc(s1)CN 62a_100000210211_100000737305 [0,2,0,0,0,0|1,1,0]=4 11722 B12R1.455 CCCCSc1ccc(s1)CN 62a_100000737305_100000210210 [0,2,0,0,0,0|1,1,0]=4 11723 B12R1.455 CCCCSc1ccc(s1)CO 62a_100000210211_100000246291 [0,2,0,0,0,0|1,1,0]=4 11724 B12R1.455 CCCCSc1ccc(s1)CO 62a_100000246291_100000210210 [0,2,0,0,0,0|1,1,0]=4 11725 B12R1.455 CCCNCc1cc(no1)CC 207a_100020643023_100000118199 [0,2,0,0,0,0|2,0,0]=4 11726 B12R1.455 CCCNCc1cc(no1)CC 270004a_100020643023_100000118199 [0,2,0,0,0,0|2,0,0]=4 11727 B12R1.455 CCCNCc1ccc(o1)CC 207a_100020643023_100000743199 [0,2,0,0,0,0|1,0,0]=3 11728 B12R1.455 CCCNCc1ccc(o1)CC 270004a_100020643023_100000743199 [0,2,0,0,0,0|1,0,0]=3 11729 B12R1.455 CCCNCc1ccc(o1)CO 207a_100020643023_100000758743 [0,2,0,0,0,0|1,0,0]=3 11730 B12R1.455 CCCNCc1ccc(o1)CO 270004a_100020643023_100000758743 [0,2,0,0,0,0|1,0,0]=3 11731 B12R1.455 CCCNCc1ccc(s1)C#N 207a_100020643023_100000091605 [0,2,0,0,0,0|1,1,0]=4 11732 B12R1.455 CCCNCc1ccc(s1)CC 207a_100020643023_100000746206 [0,2,0,0,0,0|1,1,0]=4 11733 B12R1.455 CCCNCc1ccc(s1)CC 270004a_100020643023_100000746206 [0,2,0,0,0,0|1,1,0]=4 11734 B12R1.455 CCCNCc1ccc(s1)SC 207a_100020643023_100000720245 [0,2,0,0,0,0|1,1,0]=4 11735 B12R1.455 CCCNCc1ccc(s1)SC 270004a_100020643023_100000720245 [0,2,0,0,0,0|1,1,0]=4 11736 B12R1.455 CCCOCc1cc(no1)CC 34a_100000210258_100012000519 [0,2,0,0,0,0|2,0,0]=4 11737 B12R1.455 CCCOCc1cc(no1)CC 34a_100012002152_100000210303 [0,2,0,0,0,0|2,0,0]=4 11738 B12R1.455 CCCOCc1ccc(o1)C#N 34a_100000210258_100009822536 [0,2,0,0,0,0|1,0,0]=3 11739 B12R1.455 CCCOCc1ccc(o1)C=O 34a_100000210258_200000079136 [0,2,0,0,0,0|1,0,0]=3 11740 B12R1.455 CCCOCc1ccc(s1)C#N 34a_100000210258_100010188212 [0,2,0,0,0,0|1,1,0]=4 11741 B12R1.455 CCCSCc1cc(no1)CC 62a_100000210303_100012000519 [0,2,0,0,0,0|2,0,0]=4 11742 B12R1.455 CCCSCc1cc(no1)CC 62a_100012000519_100000210303 [0,2,0,0,0,0|2,0,0]=4 11743 B12R1.455 CCCSCc1ccc(o1)C#N 62a_100000210303_100009822536 [0,2,0,0,0,0|1,0,0]=3 11744 B12R1.455 CCCSCc1ccc(o1)C=O 62a_100000210303_200000079136 [0,2,0,0,0,0|1,0,0]=3 11745 B12R1.455 CCCSCc1ccc(s1)C#N 62a_100000210303_100010188212 [0,2,0,0,0,0|1,1,0]=4 11746 B12R1.455 CCOCSc1ccc(o1)C#N 62a_100000739092_100000764468 [0,2,0,0,0,0|2,0,0]=4 11747 B12R1.455 CCOCSc1ccc(o1)C=O 62a_100000739092_100000186757 [0,2,0,0,0,0|2,0,0]=4 11748 B12R1.455 CCOCSc1ccc(o1)CN 62a_100000739092_100000708654 [0,2,0,0,0,0|2,0,0]=4 11749 B12R1.455 CCOCSc1ccc(o1)CO 62a_100000246276_100000739092 [0,2,0,0,0,0|2,0,0]=4 11750 B12R1.455 CCOCSc1ccc(o1)CO 62a_100000739092_100000246276 [0,2,0,0,0,0|2,0,0]=4 11751 B12R1.455 CCc1ccc(o1)CNCCO 207a_100000210304_100000743199 [0,2,0,0,0,0|2,0,0]=4 11752 B12R1.455 CCc1ccc(o1)CNCCO 270004a_100000210304_100000743199 [0,2,0,0,0,0|2,0,0]=4 11753 B12R1.455 COCCSc1ccc(o1)C#N 62a_100000233755_100000764468 [0,2,0,0,0,0|2,0,0]=4 11754 B12R1.455 COCCSc1ccc(o1)C=O 62a_100000233755_100000186757 [0,2,0,0,0,0|2,0,0]=4 11755 B12R1.455 COCCSc1ccc(o1)CN 62a_100000233755_100000708654 [0,2,0,0,0,0|2,0,0]=4 11756 B12R1.455 COCCSc1ccc(o1)CO 62a_100000233755_100000246276 [0,2,0,0,0,0|2,0,0]=4 11757 B12R1.455 COCCSc1ccc(o1)CO 62a_100000246276_100000233755 [0,2,0,0,0,0|2,0,0]=4 11758 B12R1.455 COCSCc1ccc(o1)C#N 62a_100000766300_100009822536 [0,2,0,0,0,0|2,0,0]=4 11759 B12R1.455 COCSCc1ccc(o1)C=O 62a_100000766300_200000079136 [0,2,0,0,0,0|2,0,0]=4 11760 B12R1.455 CSCCSc1ccc(o1)C#N 62a_100000212216_100000764468 [0,2,0,0,0,0|2,0,0]=4 11761 B12R1.455 CSCCSc1ccc(o1)C=O 62a_100000212216_100000186757 [0,2,0,0,0,0|2,0,0]=4 11762 B12R1.455 CSCCSc1ccc(o1)CN 62a_100000212216_100000708654 [0,2,0,0,0,0|2,0,0]=4 11763 B12R1.455 CSCCSc1ccc(o1)CO 62a_100000212216_100000246276 [0,2,0,0,0,0|2,0,0]=4 11764 B12R1.455 CSCCSc1ccc(o1)CO 62a_100000246276_100000751147 [0,2,0,0,0,0|2,0,0]=4 11765 B12R1.455 CSCSCc1ccc(o1)C#N 62a_100011218213_100009822536 [0,2,0,0,0,0|2,0,0]=4 11766 B12R1.455 CSCSCc1ccc(o1)C=O 62a_100011218213_200000079136 [0,2,0,0,0,0|2,0,0]=4 11767 B12R1.455 N#Cc1ccc(o1)CNCCF 34a_100000724931_100009822536 [0,2,0,0,0,0|2,0,0]=4 11768 B12R1.455 N#Cc1ccc(o1)CNCCO 2230a_100016997473_100009822536 [0,2,0,0,0,0|2,0,0]=4 11769 B12R1.455 N#Cc1ccc(o1)CNCCO 34a_100016990907_100009822536 [0,2,0,0,0,0|2,0,0]=4 11770 B12R1.455 N#Cc1ccc(o1)COCCBr 34a_100000211926_100009822536 [0,2,0,0,0,0|2,0,0]=4 11771 B12R1.455 N#Cc1ccc(o1)COCCN 34a_100000210304_100009822536 [0,2,0,0,0,0|2,0,0]=4 11772 B12R1.455 N#Cc1ccc(o1)CSCCF 62a_100011217306_100009822536 [0,2,0,0,0,0|2,0,0]=4 11773 B12R1.455 N#Cc1ccc(o1)CSCCO 62a_100000211926_100009822536 [0,2,0,0,0,0|2,0,0]=4 11774 B12R1.455 N#Cc1ccc(o1)SCCCF 62a_100011934791_100000764468 [0,2,0,0,0,0|2,0,0]=4 11775 B12R1.455 N#Cc1ccc(o1)SCCCO 62a_100011215043_100000764468 [0,2,0,0,0,0|2,0,0]=4 11776 B12R1.455 NCCOCc1ccc(o1)C=O 34a_100000210304_200000079136 [0,2,0,0,0,0|2,0,0]=4 11777 B12R1.455 NCc1ccc(o1)SCCCF 62a_100011934791_100000708654 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.455 NCc1ccc(o1)SCCCO 62a_100011215043_100000708654 [0,2,0,0,0,0|2,0,0]=4 11779 B12R1.455 O=Cc1ccc(o1)CNCCF 34a_100000724931_200000079136 [0,2,0,0,0,0|2,0,0]=4 11780 B12R1.455 O=Cc1ccc(o1)CNCCO 2230a_100016997473_200000079136 [0,2,0,0,0,0|2,0,0]=4 11781 B12R1.455 O=Cc1ccc(o1)CNCCO 34a_100016990907_200000079136 [0,2,0,0,0,0|2,0,0]=4 11782 B12R1.455 O=Cc1ccc(o1)COCCBr 34a_100000211926_200000079136 [0,2,0,0,0,0|2,0,0]=4 11783 B12R1.455 O=Cc1ccc(o1)CSCCF 62a_100011217306_200000079136 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.455 O=Cc1ccc(o1)CSCCO 62a_100000211926_200000079136 [0,2,0,0,0,0|2,0,0]=4 11785 B12R1.455 O=Cc1ccc(o1)SCCCF 62a_100011934791_100000186757 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.455 O=Cc1ccc(o1)SCCCO 62a_100011215043_100000186757 [0,2,0,0,0,0|2,0,0]=4 11787 B12R1.455 OCCCSc1ccc(o1)CO 62a_100000246276_100011215043 [0,2,0,0,0,0|2,0,0]=4 11788 B12R1.455 OCCCSc1ccc(o1)CO 62a_100011215043_100000246276 [0,2,0,0,0,0|2,0,0]=4 11789 B12R1.455 OCCNCc1ccc(o1)CO 207a_100000210304_100000758743 [0,2,0,0,0,0|2,0,0]=4 11790 B12R1.455 OCCNCc1ccc(o1)CO 270004a_100000210304_100000758743 [0,2,0,0,0,0|2,0,0]=4 11791 B12R1.455 OCc1ccc(o1)SCCCF 62a_100000246276_100011934791 [0,2,0,0,0,0|2,0,0]=4 11792 B12R1.455 OCc1ccc(o1)SCCCF 62a_100011934791_100000246276 [0,2,0,0,0,0|2,0,0]=4 11793 B12R1.456 CCCCSc1sc(cc1C)C 62a_100000210211_100000689295 [0,2,0,0,0,0|1,1,0]=4 11794 B12R1.456 CCCCSc1sc(cc1C)C 62a_100000689295_100000210210 [0,2,0,0,0,0|1,1,0]=4 11795 B12R1.456 CCCNCc1oc(nc1C)C 207a_100020643023_100000734261 [0,2,0,0,0,0|2,0,0]=4 11796 B12R1.456 CCCNCc1sc(cc1Br)C 207a_100020643023_100011361552 [0,2,0,0,0,0|1,1,0]=4 11797 B12R1.456 CCCNCc1sc(cc1Br)C 270004a_100020643023_100011361552 [0,2,0,0,0,0|1,1,0]=4 11798 B12R1.456 CCCNCc1sc(cc1Br)Cl 207a_100020643023_100021366026 [0,2,0,0,0,0|1,1,0]=4 11799 B12R1.456 CCCNCc1sc(cc1Br)Cl 270004a_100020643023_100021366026 [0,2,0,0,0,0|1,1,0]=4 11800 B12R1.456 CCCNCc1sc(cc1C)Br 207a_100020643023_100010221198 [0,2,0,0,0,0|1,1,0]=4 11801 B12R1.456 CCCNCc1sc(cc1C)Br 270004a_100020643023_100010221198 [0,2,0,0,0,0|1,1,0]=4 11802 B12R1.456 CCCNCc1sc(cc1Cl)Br 207a_100020643023_100015463987 [0,2,0,0,0,0|1,1,0]=4 11803 B12R1.456 CCCNCc1sc(cc1Cl)Br 270004a_100020643023_100015463987 [0,2,0,0,0,0|1,1,0]=4 11804 B12R1.456 CCCSCc1oc(=O)oc1C 62a_100000210303_100000068490 [0,2,0,0,0,0|2,0,0]=4 11805 B12R1.457 CCCCNC1C=C(C(=O)O1)C 2230a_100000102301_200009893386 [0,2,0,0,0,0|1,0,1]=4 11806 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_100000210211_200009893386 [0,2,0,0,0,0|1,0,1]=4 11807 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210210 [0,2,0,0,0,0|1,0,1]=4 11808 B12R1.457 CCCCSc1cc(c(s1)C)C 62a_100000210211_100009850898 [0,2,0,0,0,0|1,1,0]=4 11809 B12R1.457 CCCCSc1cc(c(s1)C)C 62a_100009850898_100000210210 [0,2,0,0,0,0|1,1,0]=4 11810 B12R1.457 CCCNCc1cc(c(o1)Br)Br 207a_100020643023_100000188521 [0,2,0,0,0,0|1,0,0]=3 11811 B12R1.457 CCCNCc1cc(c(o1)Br)Br 270004a_100020643023_100000188521 [0,2,0,0,0,0|1,0,0]=3 11812 B12R1.457 CCCNCc1cc(c(s1)Br)Br 207a_100020643023_100000763650 [0,2,0,0,0,0|1,1,0]=4 11813 B12R1.457 CCCNCc1cc(c(s1)Br)Br 270004a_100020643023_100000763650 [0,2,0,0,0,0|1,1,0]=4 11814 B12R1.457 CCCNCc1cc(c(s1)Br)C 207a_100020643023_100000761930 [0,2,0,0,0,0|1,1,0]=4 11815 B12R1.457 CCCNCc1cc(c(s1)Br)C 270004a_100020643023_100000761930 [0,2,0,0,0,0|1,1,0]=4 11816 B12R1.457 CCCNCc1cc(c(s1)C)Br 207a_100020643023_100000708457 [0,2,0,0,0,0|1,1,0]=4 11817 B12R1.457 CCCNCc1cc(c(s1)C)Br 270004a_100020643023_100000708457 [0,2,0,0,0,0|1,1,0]=4 11818 B12R1.457 CCCNCc1cc(c(s1)C)C 207a_100020643023_100011830369 [0,2,0,0,0,0|1,1,0]=4 11819 B12R1.457 CCCNCc1cc(c(s1)C)C 270004a_100020643023_100011830369 [0,2,0,0,0,0|1,1,0]=4 11820 B12R1.457 OCCNCc1cc(c(o1)Br)Br 207a_100000210304_100000188521 [0,2,0,0,0,0|2,0,0]=4 11821 B12R1.457 OCCNCc1cc(c(o1)Br)Br 270004a_100000210304_100000188521 [0,2,0,0,0,0|2,0,0]=4 11822 B12R1.527 CCCNCc1ccc(n1C)C 34a_100000744627_100000210303 [0,2,0,0,0,0|2,0,0]=4 11823 B12R1.527 CCCNCc1scc(c1Br)Br 207a_100020643023_100012354027 [0,2,0,0,0,0|1,1,0]=4 11824 B12R1.36 CCC(NCCF)c1ccco1 2230a_100015202707_100011217306 [0,2,0,0,0,0|2,0,0]=4 11825 B12R1.36 CCC(NCCF)c1ccco1 269862a_100000724931_100000749595 [0,2,0,0,0,0|2,0,0]=4 11826 B12R1.36 CCC(NCCO)c1ccco1 2230a_100015202707_100000211926 [0,2,0,0,0,0|2,0,0]=4 11827 B12R1.36 CCC(NCCO)c1ccco1 269862a_100000210304_100000749595 [0,2,0,0,0,0|2,0,0]=4 11828 B12R1.36 CCC(NCOC)c1ccco1 2230a_100015202707_100000766300 [0,2,0,0,0,0|2,0,0]=4 11829 B12R1.36 CCC(NCSC)c1ccco1 2230a_100015202707_100011218213 [0,2,0,0,0,0|2,0,0]=4 11830 B12R1.36 CCCCC(NC)c1ccco1 269862a_106832991636_200011535251 [0,2,0,0,0,0|0,0,0]=2 11831 B12R1.36 CCCCC(NC)c1cccs1 269862a_106832991636_200011267864 [0,2,0,0,0,0|0,1,0]=3 11832 B12R1.36 CCCNC(CC)c1ccc[nH]1 269862a_100020643023_200000242565 [0,2,0,0,0,0|2,0,0]=4 11833 B12R1.36 CCCNC(CC)c1ccco1 2230a_100015202707_100000210303 [0,2,0,0,0,0|1,0,0]=3 11834 B12R1.36 CCCNC(CC)c1ccco1 269862a_100020643023_100000749595 [0,2,0,0,0,0|1,0,0]=3 11835 B12R1.36 CCCNC(CC)c1cccs1 2230a_100000743277_100000210303 [0,2,0,0,0,0|1,1,0]=4 11836 B12R1.36 CCCNC(CC)c1cccs1 269862a_100020643023_100000211688 [0,2,0,0,0,0|1,1,0]=4 11837 B12R1.36 CCCNC(CO)c1cccs1 2230a_100102422791_100000210303 [0,2,0,0,0,0|1,1,0]=4 11838 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [0,2,0,0,0,0|1,0,0]=3 11839 B12R1.36 CSCOC(CN)c1ccco1 34a_100000738650_100011218213 [0,2,0,0,0,0|2,0,0]=4 11840 B12R1.36 NCC(OCCF)c1ccco1 34a_100000738650_100011217306 [0,2,0,0,0,0|2,0,0]=4 11841 B12R1.36 NCC(OCCO)c1ccco1 34a_100000738650_100000211926 [0,2,0,0,0,0|2,0,0]=4 11842 B12R1.54 C=C(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748629 [0,2,0,0,0,0|1,0,1]=4 11843 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748629 [0,2,0,0,0,0|1,0,1]=4 11844 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748629 [0,2,0,0,0,0|1,0,1]=4 11845 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,2,0,0,0,0|1,0,1]=4 11846 B12R1.54 CC(C)CNC(C)c1ccc[nH]1 269862a_100000210953_100000183661 [0,2,0,0,0,0|2,0,0]=4 11847 B12R1.54 CC(C)CNC(C)c1cccs1 2230a_100000703493_100000210760 [0,2,0,0,0,0|1,1,0]=4 11848 B12R1.54 CC(C)CNC(C)c1cccs1 269862a_100000210953_100000185736 [0,2,0,0,0,0|1,1,0]=4 11849 B12R1.54 CC(C)CNC(C)c1cccs1 270004a_100000703493_100000210432 [0,2,0,0,0,0|1,1,0]=4 11850 B12R1.54 CC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000210760 [0,2,0,0,0,0|1,0,0]=3 11851 B12R1.54 CC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000210432 [0,2,0,0,0,0|1,0,0]=3 11852 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,2,0,0,0,0|1,0,0]=3 11853 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,2,0,0,0,0|1,0,0]=3 11854 B12R1.54 CC(C)CO[C@H](C)c1cccs1 7a_100000750433_100000210760 [0,2,0,0,0,0|1,1,0]=4 11855 B12R1.54 CC(C)NCC(O)c1ccco1 2230a_100000738650_100000210206 [0,2,0,0,0,0|1,0,0]=3 11856 B12R1.54 CC(C)OCC(N)c1cccs1 34a_100102422791_100000210206 [0,2,0,0,0,0|1,1,0]=4 11857 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000210206_100000211439 [0,2,0,0,0,0|1,0,1]=4 11858 B12R1.54 CC(C)SCC(=O)c1ccco1 62a_100000211439_100000210206 [0,2,0,0,0,0|1,0,1]=4 11859 B12R1.54 CC(NC[C@@H](C)O)c1cccs1 2230a_100000703493_100009817552 [0,2,0,0,0,0|1,1,0]=4 11860 B12R1.54 CC(O)CNC(C)c1ccc[nH]1 269862a_100000210904_100000183661 [0,2,0,0,0,0|2,0,0]=4 11861 B12R1.54 CC(O)CNC(C)c1cccs1 2230a_100000703493_100011218427 [0,2,0,0,0,0|1,1,0]=4 11862 B12R1.54 CC(O)CNC(C)c1cccs1 269862a_100000210904_100000185736 [0,2,0,0,0,0|1,1,0]=4 11863 B12R1.54 CC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218427 [0,2,0,0,0,0|1,0,0]=3 11864 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,2,0,0,0,0|1,0,0]=3 11865 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,2,0,0,0,0|1,0,0]=3 11866 B12R1.54 CC(O)CO[C@H](C)c1cccs1 7a_100000750433_100011218427 [0,2,0,0,0,0|1,1,0]=4 11867 B12R1.54 CN(C)CC[C@H](O)c1cccs1 2230a_100016247842_200000210301 [0,2,0,0,0,0|1,1,0]=4 11868 B12R1.54 CN([13CH3])CC[C@H](O)c1cccs1 2230a_100016247842_200025704644 [0,2,0,0,0,0|1,1,0]=4 11869 B12R1.54 C[C@@H](NCC(F)F)c1ccco1 2230a_100160469435_100011934356 [0,2,0,0,0,0|2,0,0]=4 11870 B12R1.54 C[C@@H](O)CN[C@H](C)c1ccco1 2230a_100160469435_100009817552 [0,2,0,0,0,0|1,0,0]=3 11871 B12R1.54 C[C@@H](O)CO[C@H](C)c1cccs1 7a_100000750433_100009817552 [0,2,0,0,0,0|1,1,0]=4 11872 B12R1.54 C[C@H](OCC(F)F)c1ccco1 34a_100000755270_100011934356 [0,2,0,0,0,0|2,0,0]=4 11873 B12R1.54 C[C@H](OCC(F)F)c1ccco1 7a_100000755270_100011934356 [0,2,0,0,0,0|2,0,0]=4 11874 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,2,0,0,0,0|1,0,0]=3 11875 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,2,0,0,0,0|1,0,0]=3 11876 B12R1.55 CC(c1ccco1)N(C)CCF 2230a_100000232712_100011217306 [0,2,0,0,0,0|2,0,0]=4 11877 B12R1.55 CC(c1ccco1)N(C)CCF 269982a_100000232712_100011217306 [0,2,0,0,0,0|2,0,0]=4 11878 B12R1.55 CC(c1ccco1)N(C)CCO 2230a_100000232712_100000211926 [0,2,0,0,0,0|2,0,0]=4 11879 B12R1.55 CC(c1ccco1)N(C)CCO 269982a_100000232712_100000211926 [0,2,0,0,0,0|2,0,0]=4 11880 B12R1.55 CCCN(C)C(C)c1ccco1 2230a_100000232712_100000210303 [0,2,0,0,0,0|1,0,0]=3 11881 B12R1.55 CCCN(C)C(C)c1ccco1 269982a_100000232712_100000210303 [0,2,0,0,0,0|1,0,0]=3 11882 B12R1.55 CCCN(C)C(C)c1cccs1 2230a_100000186410_100000210303 [0,2,0,0,0,0|1,1,0]=4 11883 B12R1.55 CCCN(C)C(C)c1cccs1 269982a_100000186410_100000210303 [0,2,0,0,0,0|1,1,0]=4 11884 B12R1.55 COCN(C)C(C)c1ccco1 2230a_100000232712_100000766300 [0,2,0,0,0,0|2,0,0]=4 11885 B12R1.55 COCN(C)C(C)c1ccco1 269982a_100000232712_100000766300 [0,2,0,0,0,0|2,0,0]=4 11886 B12R1.55 CSCN(C)C(C)c1ccco1 2230a_100000232712_100011218213 [0,2,0,0,0,0|2,0,0]=4 11887 B12R1.55 CSCN(C)C(C)c1ccco1 269982a_100000232712_100011218213 [0,2,0,0,0,0|2,0,0]=4 11888 B12R1.99 CCCNC(C)(C)c1cccs1 2230a_100000757009_100000210303 [0,2,0,0,0,0|1,1,0]=4 11889 B12R1.99 CCCNS(=O)(=O)c1ccco1 270084a_100020643023_200000702926 [0,2,0,0,0,0|2,0,0]=4 11890 B12R1.99 CCCNS(=O)(=O)c1ccco1 274078a_100020643023_200000702926 [0,2,0,0,0,0|2,0,0]=4 11891 B12R1.99 CCCOC(C)(C)c1cccs1 7a_100011410533_100000210303 [0,2,0,0,0,0|1,1,0]=4 11892 B12R1.460 CCCNC(C)c1cccn1C 269862a_100020643023_100000709046 [0,2,0,0,0,0|2,0,0]=4 11893 B12R1.460 CCCNC(C)c1sccc1Br 269862a_100020643023_100000738688 [0,2,0,0,0,0|1,1,0]=4 11894 B12R1.72 CCCC(CC)Sc1ccco1 62a_100009814098_100011219200 [0,2,0,0,0,0|1,0,0]=3 11895 B12R1.72 CCCC(CC)Sc1ccco1 62a_100011219200_100009814098 [0,2,0,0,0,0|1,0,0]=3 11896 B12R1.72 CCCC(CC)Sc1cccs1 62a_100011215356_100011219200 [0,2,0,0,0,0|1,1,0]=4 11897 B12R1.72 CCCC(CC)Sc1cccs1 62a_100011219200_100011215356 [0,2,0,0,0,0|1,1,0]=4 11898 B12R1.72 CCCC(CC)Sc1cnco1 62a_100011219200_100020591547 [0,2,0,0,0,0|2,0,0]=4 11899 B12R1.72 CCCC(CC)Sc1cnco1 62a_100020591547_100011219200 [0,2,0,0,0,0|2,0,0]=4 11900 B12R1.72 CCCC(CC)Sc1ncco1 62a_100011219200_100011787736 [0,2,0,0,0,0|2,0,0]=4 11901 B12R1.72 CCCC(CC)Sc1ncco1 62a_100011787736_100011219200 [0,2,0,0,0,0|2,0,0]=4 11902 B12R1.72 CCCC(Cc1ccco1)NC 270004a_106832991635_100011996227 [0,2,0,0,0,0|0,0,0]=2 11903 B12R1.72 CCCN(CC)Cc1ccco1 2230a_100000201650_100000210202 [0,2,0,0,0,0|1,0,0]=3 11904 B12R1.72 CCCN(CC)Cc1ccco1 2230a_100000739255_100000210303 [0,2,0,0,0,0|1,0,0]=3 11905 B12R1.72 CCCN(CC)Cc1ccco1 269982a_100000201650_100000204670 [0,2,0,0,0,0|1,0,0]=3 11906 B12R1.72 CCCN(CC)Cc1ccco1 269982a_100000739255_100000210303 [0,2,0,0,0,0|1,0,0]=3 11907 B12R1.72 CCCN(CC)Cc1ccco1 270004a_100000226822_100000186105 [0,2,0,0,0,0|1,0,0]=3 11908 B12R1.72 CCCN(CC)Cc1cccs1 2230a_100025770963_100000210303 [0,2,0,0,0,0|1,1,0]=4 11909 B12R1.72 CCCN(CC)Cc1cccs1 2230a_200000186944_100000210202 [0,2,0,0,0,0|1,1,0]=4 11910 B12R1.72 CCCN(CC)Cc1cccs1 269982a_100025770963_100000210303 [0,2,0,0,0,0|1,1,0]=4 11911 B12R1.72 CCCN(CC)Cc1cccs1 269982a_200000186944_100000204670 [0,2,0,0,0,0|1,1,0]=4 11912 B12R1.72 CCCN(CC)Cc1cccs1 270004a_100000226822_100000209959 [0,2,0,0,0,0|1,1,0]=4 11913 B12R1.72 CCCN(CC)Cc1cnco1 270004a_100000226822_100000064291 [0,2,0,0,0,0|2,0,0]=4 11914 B12R1.72 CCCN(CC)Cc1ncco1 2230a_100000226822_103436540062 [0,2,0,0,0,0|2,0,0]=4 11915 B12R1.72 CCCN(CC)Cc1ncco1 269982a_100000226822_103436540062 [0,2,0,0,0,0|2,0,0]=4 11916 B12R1.72 CCCN(CC)Cc1ncco1 270004a_100000226822_100000064290 [0,2,0,0,0,0|2,0,0]=4 11917 B12R1.72 CCCN(CF)Cc1ccco1 269982a_100000201650_100015361967 [0,2,0,0,0,0|1,0,0]=3 11918 B12R1.72 CCCN(CF)Cc1cccs1 269982a_200000186944_100015361967 [0,2,0,0,0,0|1,1,0]=4 11919 B12R1.72 CCN(CCF)Cc1ccco1 2230a_100000739255_100011217306 [0,2,0,0,0,0|2,0,0]=4 11920 B12R1.72 CCN(CCF)Cc1ccco1 269982a_100000739255_100011217306 [0,2,0,0,0,0|2,0,0]=4 11921 B12R1.72 CCN(CCO)Cc1ccco1 2230a_100000200452_100000210202 [0,2,0,0,0,0|2,0,0]=4 11922 B12R1.72 CCN(CCO)Cc1ccco1 2230a_100000739255_100000211926 [0,2,0,0,0,0|2,0,0]=4 11923 B12R1.72 CCN(CCO)Cc1ccco1 269982a_100000200452_100000204670 [0,2,0,0,0,0|2,0,0]=4 11924 B12R1.72 CCN(CCO)Cc1ccco1 269982a_100000739255_100000211926 [0,2,0,0,0,0|2,0,0]=4 11925 B12R1.72 CCN(CCO)Cc1ccco1 270004a_100000210973_100000186105 [0,2,0,0,0,0|2,0,0]=4 11926 B12R1.72 CCN(COC)Cc1ccco1 2230a_100000739255_100000766300 [0,2,0,0,0,0|2,0,0]=4 11927 B12R1.72 CCN(COC)Cc1ccco1 269982a_100000739255_100000766300 [0,2,0,0,0,0|2,0,0]=4 11928 B12R1.72 CCN(CSC)Cc1ccco1 2230a_100000739255_100011218213 [0,2,0,0,0,0|2,0,0]=4 11929 B12R1.72 CCN(CSC)Cc1ccco1 269982a_100000739255_100011218213 [0,2,0,0,0,0|2,0,0]=4 11930 B12R1.72 CCNC(CC)Cc1ccco1 270004a_100015525214_200011996595 [0,2,0,0,0,0|1,0,0]=3 11931 B12R1.72 CNCC(CO)Cc1ccco1 34a_100000736158_200000210301 [0,2,0,0,0,0|1,0,0]=3 11932 B12R1.72 CNCC(CO)Cc1cccs1 34a_114948341022_200000210301 [0,2,0,0,0,0|1,1,0]=4 11933 B12R1.72 COCC(CN)Cc1ccco1 34a_100000736158_200000210301 [0,2,0,0,0,0|1,0,0]=3 11934 B12R1.72 COCC(CN)Cc1cccs1 34a_114948341022_200000210301 [0,2,0,0,0,0|1,1,0]=4 11935 B12R1.72 OCCN(CF)Cc1ccco1 269982a_100000200452_100015361967 [0,2,0,0,0,0|2,0,0]=4 11936 B12R1.72 [13CH3]NCC(CO)Cc1ccco1 34a_100000736158_200025704644 [0,2,0,0,0,0|1,0,0]=3 11937 B12R1.72 [13CH3]NCC(CO)Cc1cccs1 34a_114948341022_200025704644 [0,2,0,0,0,0|1,1,0]=4 11938 B12R1.72 [13CH3]OCC(CN)Cc1ccco1 34a_100000736158_200025704644 [0,2,0,0,0,0|1,0,0]=3 11939 B12R1.72 [13CH3]OCC(CN)Cc1cccs1 34a_114948341022_200025704644 [0,2,0,0,0,0|1,1,0]=4 11940 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,2,0,0,0,0|0,0,2]=4 11941 B12R1.260 C=C(C)CN(C)Cc1ccco1 2230a_100000185268_100000748629 [0,2,0,0,0,0|1,0,1]=4 11942 B12R1.260 C=C(C)CN(C)Cc1ccco1 269982a_100000185268_100000748629 [0,2,0,0,0,0|1,0,1]=4 11943 B12R1.260 C=C(C)CN(C)Cc1ccco1 270004a_100000225649_100000186105 [0,2,0,0,0,0|1,0,1]=4 11944 B12R1.260 CC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210624 [0,2,0,0,0,0|1,0,1]=4 11945 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,2,0,0,0,0|0,0,1]=3 11946 B12R1.260 CC(C)CC(=O)Cc1cccs1 1458a_100000210189_100000210624 [0,2,0,0,0,0|0,1,1]=4 11947 B12R1.260 CC(C)CC(=O)Cc1ncco1 1458a_100000210554_103436540062 [0,2,0,0,0,0|1,0,1]=4 11948 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100000731052_100009814098 [0,2,0,0,0,0|1,0,0]=3 11949 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100009814098_100000731052 [0,2,0,0,0,0|1,0,0]=3 11950 B12R1.260 CC(C)CC(C)Sc1cccs1 62a_100000731052_100011215356 [0,2,0,0,0,0|1,1,0]=4 11951 B12R1.260 CC(C)CC(C)Sc1cccs1 62a_100011215356_100000731052 [0,2,0,0,0,0|1,1,0]=4 11952 B12R1.260 CC(C)CC(C)Sc1cnco1 62a_100000731052_100020591547 [0,2,0,0,0,0|2,0,0]=4 11953 B12R1.260 CC(C)CC(C)Sc1cnco1 62a_100020591547_100000731052 [0,2,0,0,0,0|2,0,0]=4 11954 B12R1.260 CC(C)CC(C)Sc1ncco1 62a_100000731052_100011787736 [0,2,0,0,0,0|2,0,0]=4 11955 B12R1.260 CC(C)CC(C)Sc1ncco1 62a_100011787736_100000731052 [0,2,0,0,0,0|2,0,0]=4 11956 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000185268_100000210760 [0,2,0,0,0,0|1,0,0]=3 11957 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000200082_200000210301 [0,2,0,0,0,0|1,0,0]=3 11958 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000185268_100000210624 [0,2,0,0,0,0|1,0,0]=3 11959 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000200082_200000210301 [0,2,0,0,0,0|1,0,0]=3 11960 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000185268_100000210432 [0,2,0,0,0,0|1,0,0]=3 11961 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000747067_100000186105 [0,2,0,0,0,0|1,0,0]=3 11962 B12R1.260 CC(C)CN(C)Cc1cccs1 2230a_100000184426_100000210760 [0,2,0,0,0,0|1,1,0]=4 11963 B12R1.260 CC(C)CN(C)Cc1cccs1 2230a_100015187147_200000210301 [0,2,0,0,0,0|1,1,0]=4 11964 B12R1.260 CC(C)CN(C)Cc1cccs1 269982a_100000184426_100000210624 [0,2,0,0,0,0|1,1,0]=4 11965 B12R1.260 CC(C)CN(C)Cc1cccs1 269982a_100015187147_200000210301 [0,2,0,0,0,0|1,1,0]=4 11966 B12R1.260 CC(C)CN(C)Cc1cccs1 270004a_100000184426_100000210432 [0,2,0,0,0,0|1,1,0]=4 11967 B12R1.260 CC(C)CN(C)Cc1cccs1 270004a_100000747067_100000209959 [0,2,0,0,0,0|1,1,0]=4 11968 B12R1.260 CC(C)CN(C)Cc1cnco1 270004a_100000747067_100000064291 [0,2,0,0,0,0|2,0,0]=4 11969 B12R1.260 CC(C)CN(C)Cc1ncco1 2230a_100000747067_103436540062 [0,2,0,0,0,0|2,0,0]=4 11970 B12R1.260 CC(C)CN(C)Cc1ncco1 269982a_100000747067_103436540062 [0,2,0,0,0,0|2,0,0]=4 11971 B12R1.260 CC(C)CN(C)Cc1ncco1 270004a_100000747067_100000064290 [0,2,0,0,0,0|2,0,0]=4 11972 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 2230a_100000200082_200025704644 [0,2,0,0,0,0|1,0,0]=3 11973 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 269982a_100000200082_200025704644 [0,2,0,0,0,0|1,0,0]=3 11974 B12R1.260 CC(C)CN([13CH3])Cc1cccs1 2230a_100015187147_200025704644 [0,2,0,0,0,0|1,1,0]=4 11975 B12R1.260 CC(C)CN([13CH3])Cc1cccs1 269982a_100015187147_200025704644 [0,2,0,0,0,0|1,1,0]=4 11976 B12R1.260 CC(C)NC(=O)Cc1ccco1 11a_100138425928_100011217309 [0,2,0,0,0,0|1,0,1]=4 11977 B12R1.260 CC(C)NC(=O)Cc1ccco1 527a_100138425928_100011217309 [0,2,0,0,0,0|1,0,1]=4 11978 B12R1.260 CC(C)NC(C)Cc1cccs1 2230a_100000751415_100000210206 [0,2,0,0,0,0|1,1,0]=4 11979 B12R1.260 CC(C)OC(C)Cc1ccco1 34a_100011803939_100000210206 [0,2,0,0,0,0|1,0,0]=3 11980 B12R1.260 CC(C)OC(C)Cc1ccco1 7a_100011803939_100000210206 [0,2,0,0,0,0|1,0,0]=3 11981 B12R1.260 CC(CN(C)C)Sc1ccco1 62a_100009814098_100020606517 [0,2,0,0,0,0|2,0,0]=4 11982 B12R1.260 CC(CN(C)C)Sc1ccco1 62a_100020606517_100009814098 [0,2,0,0,0,0|2,0,0]=4 11983 B12R1.260 CC(O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218427 [0,2,0,0,0,0|1,0,1]=4 11984 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,2,0,0,0,0|0,0,1]=3 11985 B12R1.260 CC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218427 [0,2,0,0,0,0|0,1,1]=4 11986 B12R1.260 CC(O)CN(C)Cc1ccco1 2230a_100000185268_100011218427 [0,2,0,0,0,0|1,0,0]=3 11987 B12R1.260 CC(O)CN(C)Cc1ccco1 269982a_100000185268_100011218427 [0,2,0,0,0,0|1,0,0]=3 11988 B12R1.260 CC(O)CN(C)Cc1ccco1 270004a_100000227577_100000186105 [0,2,0,0,0,0|1,0,0]=3 11989 B12R1.260 CC(O)CN(C)Cc1cccs1 2230a_100000184426_100011218427 [0,2,0,0,0,0|1,1,0]=4 11990 B12R1.260 CC(O)CN(C)Cc1cccs1 269982a_100000184426_100011218427 [0,2,0,0,0,0|1,1,0]=4 11991 B12R1.260 CC(O)CN(C)Cc1cccs1 270004a_100000227577_100000209959 [0,2,0,0,0,0|1,1,0]=4 11992 B12R1.260 CC(O)CN(C)Cc1cnco1 270004a_100000227577_100000064291 [0,2,0,0,0,0|2,0,0]=4 11993 B12R1.260 CC(O)CN(C)Cc1ncco1 2230a_100000227577_103436540062 [0,2,0,0,0,0|2,0,0]=4 11994 B12R1.260 CC(O)CN(C)Cc1ncco1 269982a_100000227577_103436540062 [0,2,0,0,0,0|2,0,0]=4 11995 B12R1.260 CC(O)CN(C)Cc1ncco1 270004a_100000227577_100000064290 [0,2,0,0,0,0|2,0,0]=4 11996 B12R1.260 CN(Cc1ccco1)CC(F)F 2230a_100000185268_100011934356 [0,2,0,0,0,0|2,0,0]=4 11997 B12R1.260 CN(Cc1ccco1)CC(F)F 269982a_100000185268_100011934356 [0,2,0,0,0,0|2,0,0]=4 11998 B12R1.260 C[C@@H](O)CC(=O)Cc1ncco1 1458a_100011933948_103436540062 [0,2,0,0,0,0|1,0,1]=4 11999 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 2230a_100000185268_100009817552 [0,2,0,0,0,0|1,0,0]=3 12000 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 269982a_100000185268_100009817552 [0,2,0,0,0,0|1,0,0]=3 12001 B12R1.260 C[C@@H](O)CN(C)Cc1cccs1 2230a_100000184426_100009817552 [0,2,0,0,0,0|1,1,0]=4 12002 B12R1.260 C[C@@H](O)CN(C)Cc1cccs1 269982a_100000184426_100009817552 [0,2,0,0,0,0|1,1,0]=4 12003 B12R1.260 O=C(Cc1ccco1)CC(F)F 1458a_100011217309_100011934356 [0,2,0,0,0,0|1,0,1]=4 12004 B12R1.318 CCCC(C)Sc1sccc1Br 62a_100000766640_100012361411 [0,2,0,0,0,0|1,1,0]=4 12005 B12R1.318 CCCC(C)Sc1sccc1Br 62a_100012361411_100000766640 [0,2,0,0,0,0|1,1,0]=4 12006 B12R1.318 CCCC(C)Sc1sccc1C 62a_100000766640_100010247149 [0,2,0,0,0,0|1,1,0]=4 12007 B12R1.318 CCCC(C)Sc1sccc1C 62a_100010247149_100000766640 [0,2,0,0,0,0|1,1,0]=4 12008 B12R1.318 CCCN(C)Cc1cccn1C 2230a_100000188278_100000210303 [0,2,0,0,0,0|2,0,0]=4 12009 B12R1.318 CCCN(C)Cc1cccn1C 269982a_100000188278_100000210303 [0,2,0,0,0,0|2,0,0]=4 12010 B12R1.318 CCCN(C)Cc1cccn1C 270004a_100000747261_100000211633 [0,2,0,0,0,0|2,0,0]=4 12011 B12R1.318 CCCN(C)Cc1occc1Br 270004a_100000747261_100000756499 [0,2,0,0,0,0|1,0,0]=3 12012 B12R1.318 CCCN(C)Cc1occc1C 2230a_100000734364_100000210303 [0,2,0,0,0,0|1,0,0]=3 12013 B12R1.318 CCCN(C)Cc1occc1C 269982a_100000734364_100000210303 [0,2,0,0,0,0|1,0,0]=3 12014 B12R1.318 CCCN(C)Cc1occc1C 270004a_100000747261_100000763527 [0,2,0,0,0,0|1,0,0]=3 12015 B12R1.318 CCCN(C)Cc1sccc1Br 2230a_100000767120_100000210303 [0,2,0,0,0,0|1,1,0]=4 12016 B12R1.318 CCCN(C)Cc1sccc1Br 269982a_100000767120_100000210303 [0,2,0,0,0,0|1,1,0]=4 12017 B12R1.318 CCCN(C)Cc1sccc1Br 270004a_100000747261_100000766043 [0,2,0,0,0,0|1,1,0]=4 12018 B12R1.318 CCCN(C)Cc1sccc1C 2230a_100000695154_100000210303 [0,2,0,0,0,0|1,1,0]=4 12019 B12R1.318 CCCN(C)Cc1sccc1C 269982a_100000695154_100000210303 [0,2,0,0,0,0|1,1,0]=4 12020 B12R1.318 CCCN(C)Cc1sccc1C 270004a_100000747261_100000210881 [0,2,0,0,0,0|1,1,0]=4 12021 B12R1.318 CCCN(C)Cc1sccc1Cl 270004a_100000747261_100000722334 [0,2,0,0,0,0|1,1,0]=4 12022 B12R1.318 CN(CCO)Cc1occc1Br 270004a_100000210263_100000756499 [0,2,0,0,0,0|2,0,0]=4 12023 B12R1.318 COCN(C)Cc1occc1C 2230a_100000734364_100000766300 [0,2,0,0,0,0|2,0,0]=4 12024 B12R1.318 COCN(C)Cc1occc1C 269982a_100000734364_100000766300 [0,2,0,0,0,0|2,0,0]=4 12025 B12R1.318 CSCN(C)Cc1occc1C 2230a_100000734364_100011218213 [0,2,0,0,0,0|2,0,0]=4 12026 B12R1.318 CSCN(C)Cc1occc1C 269982a_100000734364_100011218213 [0,2,0,0,0,0|2,0,0]=4 12027 B12R1.318 Cc1ccoc1CN(C)CCF 2230a_100000734364_100011217306 [0,2,0,0,0,0|2,0,0]=4 12028 B12R1.318 Cc1ccoc1CN(C)CCF 269982a_100000734364_100011217306 [0,2,0,0,0,0|2,0,0]=4 12029 B12R1.318 Cc1ccoc1CN(C)CCO 2230a_100000734364_100000211926 [0,2,0,0,0,0|2,0,0]=4 12030 B12R1.318 Cc1ccoc1CN(C)CCO 269982a_100000734364_100000211926 [0,2,0,0,0,0|2,0,0]=4 12031 B12R1.318 Cc1ccoc1CN(C)CCO 270004a_100000210263_100000763527 [0,2,0,0,0,0|2,0,0]=4 12032 B12R1.130 C=C(C)COCc1occc1C 34a_100011273948_100000748629 [0,2,0,0,0,0|1,0,1]=4 12033 B12R1.130 C=C(C)COCc1occc1C 7a_100011273948_100000748629 [0,2,0,0,0,0|1,0,1]=4 12034 B12R1.130 CC(C)CCSc1sccc1Br 62a_100000210312_100012361411 [0,2,0,0,0,0|1,1,0]=4 12035 B12R1.130 CC(C)CCSc1sccc1Br 62a_100012361411_100000210312 [0,2,0,0,0,0|1,1,0]=4 12036 B12R1.130 CC(C)CNCc1cccn1C 270004a_100000210953_100000211633 [0,2,0,0,0,0|2,0,0]=4 12037 B12R1.130 CC(C)CNCc1cccn1C 34a_100011219357_100000210624 [0,2,0,0,0,0|2,0,0]=4 12038 B12R1.130 CC(C)CNCc1occc1Br 270004a_100000210953_100000756499 [0,2,0,0,0,0|1,0,0]=3 12039 B12R1.130 CC(C)CNCc1sccc1Br 207a_100000210953_100000766043 [0,2,0,0,0,0|1,1,0]=4 12040 B12R1.130 CC(C)CNCc1sccc1Br 270004a_100000210953_100000766043 [0,2,0,0,0,0|1,1,0]=4 12041 B12R1.130 CC(C)CNCc1sccc1Cl 207a_100000210953_100000722334 [0,2,0,0,0,0|1,1,0]=4 12042 B12R1.130 CC(C)CNCc1sccc1Cl 2230a_100011934584_100000210760 [0,2,0,0,0,0|1,1,0]=4 12043 B12R1.130 CC(C)CNCc1sccc1Cl 270004a_100000210953_100000722334 [0,2,0,0,0,0|1,1,0]=4 12044 B12R1.130 CC(C)CNCc1sccc1Cl 270004a_100011934584_100000210432 [0,2,0,0,0,0|1,1,0]=4 12045 B12R1.130 CC(C)CNCc1sccc1Cl 34a_100011934584_100000210624 [0,2,0,0,0,0|1,1,0]=4 12046 B12R1.130 CC(C)COCc1sccc1Br 34a_100000702026_100000210624 [0,2,0,0,0,0|1,1,0]=4 12047 B12R1.130 CC(C)COCc1sccc1Cl 34a_100000722387_100000210624 [0,2,0,0,0,0|1,1,0]=4 12048 B12R1.130 CC(C)COCc1sccc1Cl 7a_100000722387_100000210760 [0,2,0,0,0,0|1,1,0]=4 12049 B12R1.130 CC(C)NCCc1cccn1C 2230a_100011251756_100000210206 [0,2,0,0,0,0|2,0,0]=4 12050 B12R1.130 CC(C)NCCc1cccn1C 34a_100011251756_100000210206 [0,2,0,0,0,0|2,0,0]=4 12051 B12R1.130 CC(O)CCSc1sccc1Br 62a_100012276601_100012361411 [0,2,0,0,0,0|1,1,0]=4 12052 B12R1.130 CC(O)CCSc1sccc1Br 62a_100012361411_100012276601 [0,2,0,0,0,0|1,1,0]=4 12053 B12R1.130 CC(O)CNCc1cccn1C 270004a_100000210904_100000211633 [0,2,0,0,0,0|2,0,0]=4 12054 B12R1.130 CC(O)CNCc1cccn1C 34a_100011219357_100011218427 [0,2,0,0,0,0|2,0,0]=4 12055 B12R1.130 CC(O)CNCc1occc1Br 270004a_100000210904_100000756499 [0,2,0,0,0,0|1,0,0]=3 12056 B12R1.130 CC(O)CNCc1sccc1Br 207a_100000210904_100000766043 [0,2,0,0,0,0|1,1,0]=4 12057 B12R1.130 CC(O)CNCc1sccc1Br 270004a_100000210904_100000766043 [0,2,0,0,0,0|1,1,0]=4 12058 B12R1.130 CC(O)CNCc1sccc1Cl 207a_100000210904_100000722334 [0,2,0,0,0,0|1,1,0]=4 12059 B12R1.130 CC(O)CNCc1sccc1Cl 2230a_100011934584_100011218427 [0,2,0,0,0,0|1,1,0]=4 12060 B12R1.130 CC(O)CNCc1sccc1Cl 270004a_100000210904_100000722334 [0,2,0,0,0,0|1,1,0]=4 12061 B12R1.130 CC(O)CNCc1sccc1Cl 34a_100011934584_100011218427 [0,2,0,0,0,0|1,1,0]=4 12062 B12R1.130 CC(O)COCc1sccc1Br 34a_100000702026_100011218427 [0,2,0,0,0,0|1,1,0]=4 12063 B12R1.130 CC(O)COCc1sccc1Cl 34a_100000722387_100011218427 [0,2,0,0,0,0|1,1,0]=4 12064 B12R1.130 CC(O)COCc1sccc1Cl 7a_100000722387_100011218427 [0,2,0,0,0,0|1,1,0]=4 12065 B12R1.130 C[C@@H](O)CNCc1cccn1C 34a_100011219357_100009817552 [0,2,0,0,0,0|2,0,0]=4 12066 B12R1.130 C[C@@H](O)CNCc1sccc1Cl 2230a_100011934584_100009817552 [0,2,0,0,0,0|1,1,0]=4 12067 B12R1.130 C[C@@H](O)CNCc1sccc1Cl 34a_100011934584_100009817552 [0,2,0,0,0,0|1,1,0]=4 12068 B12R1.130 C[C@@H](O)COCc1sccc1Br 34a_100000702026_100009817552 [0,2,0,0,0,0|1,1,0]=4 12069 B12R1.130 C[C@@H](O)COCc1sccc1Cl 34a_100000722387_100009817552 [0,2,0,0,0,0|1,1,0]=4 12070 B12R1.130 C[C@@H](O)COCc1sccc1Cl 7a_100000722387_100009817552 [0,2,0,0,0,0|1,1,0]=4 12071 B12R1.130 Cc1ccoc1CNCC(C)C 207a_100000210953_100000763527 [0,2,0,0,0,0|1,0,0]=3 12072 B12R1.130 Cc1ccoc1CNCC(C)C 270004a_100000210953_100000763527 [0,2,0,0,0,0|1,0,0]=3 12073 B12R1.130 Cc1ccoc1CNCC(C)O 207a_100000210904_100000763527 [0,2,0,0,0,0|1,0,0]=3 12074 B12R1.130 Cc1ccoc1CNCC(C)O 270004a_100000210904_100000763527 [0,2,0,0,0,0|1,0,0]=3 12075 B12R1.130 Cc1ccoc1CNCC(F)F 207a_100000765723_100000763527 [0,2,0,0,0,0|2,0,0]=4 12076 B12R1.130 Cc1ccoc1CNCC(F)F 270004a_100000765723_100000763527 [0,2,0,0,0,0|2,0,0]=4 12077 B12R1.130 Cc1ccoc1COCC(C)C 34a_100011273948_100000210624 [0,2,0,0,0,0|1,0,0]=3 12078 B12R1.130 Cc1ccoc1COCC(C)C 7a_100011273948_100000210760 [0,2,0,0,0,0|1,0,0]=3 12079 B12R1.130 Cc1ccoc1COCC(C)O 34a_100011273948_100011218427 [0,2,0,0,0,0|1,0,0]=3 12080 B12R1.130 Cc1ccoc1COCC(C)O 7a_100011273948_100011218427 [0,2,0,0,0,0|1,0,0]=3 12081 B12R1.130 Cc1ccoc1COCC(F)F 34a_100011273948_100011934356 [0,2,0,0,0,0|2,0,0]=4 12082 B12R1.130 Cc1ccoc1COCC(F)F 7a_100011273948_100011934356 [0,2,0,0,0,0|2,0,0]=4 12083 B12R1.130 Cc1ccoc1COC[C@@H](C)O 34a_100011273948_100009817552 [0,2,0,0,0,0|1,0,0]=3 12084 B12R1.130 Cc1ccoc1COC[C@@H](C)O 7a_100011273948_100009817552 [0,2,0,0,0,0|1,0,0]=3 12085 B12R1.130 Cc1ccsc1CNCC(C)C 207a_100000210953_100000210881 [0,2,0,0,0,0|1,1,0]=4 12086 B12R1.130 Cc1ccsc1CNCC(C)C 2230a_100000238519_100000210760 [0,2,0,0,0,0|1,1,0]=4 12087 B12R1.130 Cc1ccsc1CNCC(C)C 270004a_100000210953_100000210881 [0,2,0,0,0,0|1,1,0]=4 12088 B12R1.130 Cc1ccsc1CNCC(C)C 270004a_100000238519_100000210432 [0,2,0,0,0,0|1,1,0]=4 12089 B12R1.130 Cc1ccsc1CNCC(C)C 34a_100000238519_100000210624 [0,2,0,0,0,0|1,1,0]=4 12090 B12R1.130 Cc1ccsc1CNCC(C)O 207a_100000210904_100000210881 [0,2,0,0,0,0|1,1,0]=4 12091 B12R1.130 Cc1ccsc1CNCC(C)O 2230a_100000238519_100011218427 [0,2,0,0,0,0|1,1,0]=4 12092 B12R1.130 Cc1ccsc1CNCC(C)O 270004a_100000210904_100000210881 [0,2,0,0,0,0|1,1,0]=4 12093 B12R1.130 Cc1ccsc1CNCC(C)O 34a_100000238519_100011218427 [0,2,0,0,0,0|1,1,0]=4 12094 B12R1.130 Cc1ccsc1CNC[C@@H](C)O 2230a_100000238519_100009817552 [0,2,0,0,0,0|1,1,0]=4 12095 B12R1.130 Cc1ccsc1CNC[C@@H](C)O 34a_100000238519_100009817552 [0,2,0,0,0,0|1,1,0]=4 12096 B12R1.130 Cc1ccsc1COCC(C)C 34a_100000238368_100000210624 [0,2,0,0,0,0|1,1,0]=4 12097 B12R1.130 Cc1ccsc1COCC(C)C 7a_100000238368_100000210760 [0,2,0,0,0,0|1,1,0]=4 12098 B12R1.130 Cc1ccsc1COCC(C)O 34a_100000238368_100011218427 [0,2,0,0,0,0|1,1,0]=4 12099 B12R1.130 Cc1ccsc1COCC(C)O 7a_100000238368_100011218427 [0,2,0,0,0,0|1,1,0]=4 12100 B12R1.130 Cc1ccsc1COC[C@@H](C)O 34a_100000238368_100009817552 [0,2,0,0,0,0|1,1,0]=4 12101 B12R1.130 Cc1ccsc1COC[C@@H](C)O 7a_100000238368_100009817552 [0,2,0,0,0,0|1,1,0]=4 12102 B12R1.130 Cc1ccsc1SCCC(C)C 62a_100000210312_100010247149 [0,2,0,0,0,0|1,1,0]=4 12103 B12R1.130 Cc1ccsc1SCCC(C)C 62a_100010247149_100000210312 [0,2,0,0,0,0|1,1,0]=4 12104 B12R1.130 Cc1ccsc1SCCC(C)O 62a_100010247149_100012276601 [0,2,0,0,0,0|1,1,0]=4 12105 B12R1.130 Cc1ccsc1SCCC(C)O 62a_100012276601_100010247149 [0,2,0,0,0,0|1,1,0]=4 12106 B12R1.130 Cc1cnoc1COCC(C)C 34a_200011065769_100000210624 [0,2,0,0,0,0|2,0,0]=4 12107 B12R1.130 Cc1cnoc1COCC(C)O 34a_200011065769_100011218427 [0,2,0,0,0,0|2,0,0]=4 12108 B12R1.130 Cc1cnoc1COC[C@@H](C)O 34a_200011065769_100009817552 [0,2,0,0,0,0|2,0,0]=4 12109 B12R1.130 Cc1ncoc1COCC(C)C 34a_100000717716_100000210624 [0,2,0,0,0,0|2,0,0]=4 12110 B12R1.130 Cc1ncoc1COCC(C)C 7a_100000717716_100000210760 [0,2,0,0,0,0|2,0,0]=4 12111 B12R1.130 Cc1ncoc1COCC(C)O 34a_100000717716_100011218427 [0,2,0,0,0,0|2,0,0]=4 12112 B12R1.130 Cc1ncoc1COCC(C)O 7a_100000717716_100011218427 [0,2,0,0,0,0|2,0,0]=4 12113 B12R1.130 Cc1ncoc1COC[C@@H](C)O 34a_100000717716_100009817552 [0,2,0,0,0,0|2,0,0]=4 12114 B12R1.130 Cc1ncoc1COC[C@@H](C)O 7a_100000717716_100009817552 [0,2,0,0,0,0|2,0,0]=4 12115 B12R1.130 FC(F)CNCc1occc1Br 270004a_100000765723_100000756499 [0,2,0,0,0,0|2,0,0]=4 12116 B12R1.890 CC(C)(C)CCSc1ccco1 62a_100000755188_100009814098 [0,2,0,0,0,0|1,0,0]=3 12117 B12R1.890 CC(C)(C)CCSc1ccco1 62a_100009814098_100000755188 [0,2,0,0,0,0|1,0,0]=3 12118 B12R1.890 CC(C)(C)CCSc1cccs1 62a_100000755188_100011215356 [0,2,0,0,0,0|1,1,0]=4 12119 B12R1.890 CC(C)(C)CCSc1cccs1 62a_100011215356_100000755188 [0,2,0,0,0,0|1,1,0]=4 12120 B12R1.890 CC(C)(C)CCSc1cnco1 62a_100000755188_100020591547 [0,2,0,0,0,0|2,0,0]=4 12121 B12R1.890 CC(C)(C)CCSc1cnco1 62a_100020591547_100000755188 [0,2,0,0,0,0|2,0,0]=4 12122 B12R1.890 CC(C)(C)CCSc1ncco1 62a_100000755188_100011787736 [0,2,0,0,0,0|2,0,0]=4 12123 B12R1.890 CC(C)(C)CCSc1ncco1 62a_100011787736_100000755188 [0,2,0,0,0,0|2,0,0]=4 12124 B12R1.890 CC(C)(C)CNCc1ccco1 207a_100000743828_100000186105 [0,2,0,0,0,0|1,0,0]=3 12125 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000185738_100011204126 [0,2,0,0,0,0|1,0,0]=3 12126 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000743828_100000186105 [0,2,0,0,0,0|1,0,0]=3 12127 B12R1.890 CC(C)(C)CNCc1ccco1 34a_100000185738_100011219605 [0,2,0,0,0,0|1,0,0]=3 12128 B12R1.890 CC(C)(C)CNCc1cccs1 207a_100000743828_100000209959 [0,2,0,0,0,0|1,1,0]=4 12129 B12R1.890 CC(C)(C)CNCc1cccs1 270004a_100000211653_100011204126 [0,2,0,0,0,0|1,1,0]=4 12130 B12R1.890 CC(C)(C)CNCc1cccs1 270004a_100000743828_100000209959 [0,2,0,0,0,0|1,1,0]=4 12131 B12R1.890 CC(C)(C)CNCc1cnco1 270004a_100000743828_100000064291 [0,2,0,0,0,0|2,0,0]=4 12132 B12R1.890 CC(C)(C)CNCc1cnco1 270004a_100020634212_100011204126 [0,2,0,0,0,0|2,0,0]=4 12133 B12R1.890 CC(C)(C)CNCc1ncco1 2230a_100000743828_103436540062 [0,2,0,0,0,0|2,0,0]=4 12134 B12R1.890 CC(C)(C)CNCc1ncco1 270004a_100000743828_100000064290 [0,2,0,0,0,0|2,0,0]=4 12135 B12R1.890 CC(C)(C)COCc1ccco1 34a_100000210059_100011219605 [0,2,0,0,0,0|1,0,0]=3 12136 B12R1.890 CC(C)(C)COCc1cccs1 34a_100000211240_100011219605 [0,2,0,0,0,0|1,1,0]=4 12137 B12R1.890 CC(C)(C)COCc1ccno1 34a_100000740478_100011219605 [0,2,0,0,0,0|2,0,0]=4 12138 B12R1.890 CC(C)(C)COCc1ncco1 34a_100000062594_100011219605 [0,2,0,0,0,0|2,0,0]=4 12139 B12R1.890 CC(C)(C)CSCc1ncco1 62a_100011219605_103436540062 [0,2,0,0,0,0|2,0,0]=4 12140 B12R1.890 CC(C)(C)CSCc1ncco1 62a_103436540062_100011219605 [0,2,0,0,0,0|2,0,0]=4 12141 B12R1.890 CC(C)(C)NCCc1ccco1 34a_100000694680_100000210625 [0,2,0,0,0,0|1,0,0]=3 12142 B12R1.890 CC(C)(C)NCCc1cccs1 2230a_100000715429_100000748579 [0,2,0,0,0,0|1,1,0]=4 12143 B12R1.890 CC(C)(C)NCCc1cccs1 34a_100000203755_100000210625 [0,2,0,0,0,0|1,1,0]=4 12144 B12R1.890 CC(C)(C)OCCc1cccs1 34a_100011216825_100000210625 [0,2,0,0,0,0|1,1,0]=4 12145 B12R1.890 CC(C)(C)OCCc1cccs1 34a_100015890283_100000748579 [0,2,0,0,0,0|1,1,0]=4 12146 B12R1.890 CC(C)(C)OCCc1cccs1 7a_100015890283_100000748579 [0,2,0,0,0,0|1,1,0]=4 12147 B12R1.890 CC(C)(C)SCCc1cccs1 62a_100000211941_100000748579 [0,2,0,0,0,0|1,1,0]=4 12148 B12R1.890 CC(C)(C)SCCc1cccs1 62a_100000748579_100000211941 [0,2,0,0,0,0|1,1,0]=4 12149 B12R1.890 CC(C)(F)CNCc1ccco1 207a_100020643315_100000186105 [0,2,0,0,0,0|1,0,0]=3 12150 B12R1.890 CC(C)(F)CNCc1ccco1 270004a_100020643315_100000186105 [0,2,0,0,0,0|1,0,0]=3 12151 B12R1.890 CC(C)(F)CNCc1ccco1 34a_100000185738_100011997219 [0,2,0,0,0,0|1,0,0]=3 12152 B12R1.890 CC(C)(F)CNCc1cccs1 207a_100020643315_100000209959 [0,2,0,0,0,0|1,1,0]=4 12153 B12R1.890 CC(C)(F)CNCc1cccs1 270004a_100020643315_100000209959 [0,2,0,0,0,0|1,1,0]=4 12154 B12R1.890 CC(C)(F)CNCc1cnco1 270004a_100020643315_100000064291 [0,2,0,0,0,0|2,0,0]=4 12155 B12R1.890 CC(C)(F)CNCc1ncco1 2230a_100020643315_103436540062 [0,2,0,0,0,0|2,0,0]=4 12156 B12R1.890 CC(C)(F)CNCc1ncco1 270004a_100020643315_100000064290 [0,2,0,0,0,0|2,0,0]=4 12157 B12R1.890 CC(C)(F)COCc1ccco1 34a_100000210059_100011997219 [0,2,0,0,0,0|1,0,0]=3 12158 B12R1.890 CC(C)(F)COCc1cccs1 34a_100000211240_100011997219 [0,2,0,0,0,0|1,1,0]=4 12159 B12R1.890 CC(C)(F)COCc1ccno1 34a_100000740478_100011997219 [0,2,0,0,0,0|2,0,0]=4 12160 B12R1.890 CC(C)(F)COCc1ncco1 34a_100000062594_100011997219 [0,2,0,0,0,0|2,0,0]=4 12161 B12R1.890 CC(C)(F)COCc1ncco1 34a_100000716592_103436540062 [0,2,0,0,0,0|2,0,0]=4 12162 B12R1.890 CC(C)(F)CSCc1ncco1 62a_100011997219_103436540062 [0,2,0,0,0,0|2,0,0]=4 12163 B12R1.890 CC(C)(F)CSCc1ncco1 62a_103436540062_100011997219 [0,2,0,0,0,0|2,0,0]=4 12164 B12R1.890 CC(C)(O)CCSc1ccco1 62a_100000702414_100009814098 [0,2,0,0,0,0|1,0,0]=3 12165 B12R1.890 CC(C)(O)CCSc1ccco1 62a_100009814098_100000702414 [0,2,0,0,0,0|1,0,0]=3 12166 B12R1.890 CC(C)(O)CCSc1cccs1 62a_100000702414_100011215356 [0,2,0,0,0,0|1,1,0]=4 12167 B12R1.890 CC(C)(O)CCSc1cccs1 62a_100011215356_100000702414 [0,2,0,0,0,0|1,1,0]=4 12168 B12R1.890 CC(C)(O)CCSc1cnco1 62a_100000702414_100020591547 [0,2,0,0,0,0|2,0,0]=4 12169 B12R1.890 CC(C)(O)CCSc1cnco1 62a_100020591547_100000702414 [0,2,0,0,0,0|2,0,0]=4 12170 B12R1.890 CC(C)(O)CCSc1ncco1 62a_100000702414_100011787736 [0,2,0,0,0,0|2,0,0]=4 12171 B12R1.890 CC(C)(O)CCSc1ncco1 62a_100011787736_100000702414 [0,2,0,0,0,0|2,0,0]=4 12172 B12R1.890 CC(C)(O)CNCc1ccco1 207a_100000751335_100000186105 [0,2,0,0,0,0|1,0,0]=3 12173 B12R1.890 CC(C)(O)CNCc1ccco1 270004a_100000751335_100000186105 [0,2,0,0,0,0|1,0,0]=3 12174 B12R1.890 CC(C)(O)CNCc1ccco1 34a_100000185738_100000764493 [0,2,0,0,0,0|1,0,0]=3 12175 B12R1.890 CC(C)(O)CNCc1cccs1 207a_100000751335_100000209959 [0,2,0,0,0,0|1,1,0]=4 12176 B12R1.890 CC(C)(O)CNCc1cccs1 270004a_100000751335_100000209959 [0,2,0,0,0,0|1,1,0]=4 12177 B12R1.890 CC(C)(O)CNCc1cnco1 270004a_100000751335_100000064291 [0,2,0,0,0,0|2,0,0]=4 12178 B12R1.890 CC(C)(O)CNCc1ncco1 2230a_100000751335_103436540062 [0,2,0,0,0,0|2,0,0]=4 12179 B12R1.890 CC(C)(O)CNCc1ncco1 270004a_100000751335_100000064290 [0,2,0,0,0,0|2,0,0]=4 12180 B12R1.890 CC(C)(O)COCc1ccco1 34a_100000210059_100000764493 [0,2,0,0,0,0|1,0,0]=3 12181 B12R1.890 CC(C)(O)COCc1cccs1 34a_100000211240_100000764493 [0,2,0,0,0,0|1,1,0]=4 12182 B12R1.890 CC(C)(O)COCc1ccno1 34a_100000740478_100000764493 [0,2,0,0,0,0|2,0,0]=4 12183 B12R1.890 CC(C)(O)COCc1ncco1 34a_100000062594_100000764493 [0,2,0,0,0,0|2,0,0]=4 12184 B12R1.890 CC(C)(O)CSCc1ncco1 62a_100000764493_103436540062 [0,2,0,0,0,0|2,0,0]=4 12185 B12R1.890 CC(C)(O)CSCc1ncco1 62a_103436540062_100000764493 [0,2,0,0,0,0|2,0,0]=4 12186 B12R1.890 CC(F)(F)CNCc1ccco1 207a_100000731000_100000186105 [0,2,0,0,0,0|1,0,0]=3 12187 B12R1.890 CC(F)(F)CNCc1ccco1 270004a_100000731000_100000186105 [0,2,0,0,0,0|1,0,0]=3 12188 B12R1.890 CC(F)(F)CNCc1cccs1 207a_100000731000_100000209959 [0,2,0,0,0,0|1,1,0]=4 12189 B12R1.890 CC(F)(F)CNCc1cccs1 270004a_100000731000_100000209959 [0,2,0,0,0,0|1,1,0]=4 12190 B12R1.890 CC(F)(F)CNCc1cnco1 270004a_100000731000_100000064291 [0,2,0,0,0,0|2,0,0]=4 12191 B12R1.890 CC(F)(F)CNCc1ncco1 270004a_100000731000_100000064290 [0,2,0,0,0,0|2,0,0]=4 12192 B12R1.890 CC(F)(F)COCc1ncco1 34a_100000068830_103436540062 [0,2,0,0,0,0|2,0,0]=4 12193 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100000731031_100009814098 [0,2,0,0,0,0|2,0,0]=4 12194 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100009814098_100000230027 [0,2,0,0,0,0|2,0,0]=4 12195 B12R1.890 CS(=O)(=O)NCCc1ccco1 40a_100000694680_100000738038 [0,2,0,0,0,0|2,0,0]=4 12196 B12R1.890 C[N+](C)(C)CCSc1ccco1 62a_100000085578_100009814098 [0,2,0,0,0,0|2,0,0]=4 12197 B12R1.890 C[N+](C)(C)CCSc1ccco1 62a_100009814098_100000085578 [0,2,0,0,0,0|2,0,0]=4 12198 B12R1.890 C[Si](C)(C)CCSc1ccco1 62a_100009814098_200000733723 [0,2,0,0,0,0|1,1,0]=4 12199 B12R1.890 C[Si](C)(C)CCSc1ccco1 62a_200000733723_100009814098 [0,2,0,0,0,0|1,1,0]=4 12200 B12R1.890 C[Si](C)(C)CNCc1ccco1 2230a_100000185738_100000037933 [0,2,0,0,0,0|1,1,0]=4 12201 B12R1.890 FC(F)(F)CCSc1ccco1 62a_100009814098_100011219754 [0,2,0,0,0,0|2,0,0]=4 12202 B12R1.890 FC(F)(F)CCSc1ccco1 62a_100011219754_100009814098 [0,2,0,0,0,0|2,0,0]=4 12203 B12R1.890 FC(F)(F)CNCc1ccco1 2230a_100000185738_100000763148 [0,2,0,0,0,0|2,0,0]=4 12204 B12R1.890 FC(F)(F)NCCc1ccco1 34a_100000694680_200103152311 [0,2,0,0,0,0|2,0,0]=4 12205 B12R1.45 CCCCNc1sccc1C#N 27a_100000102301_100009817073 [0,2,0,0,0,0|1,1,0]=4 12206 B12R1.45 CCCCSc1sccc1C#N 62a_100000210211_100009817073 [0,2,0,0,0,0|1,1,0]=4 12207 B12R1.45 CCCCSc1sccc1C=O 62a_100000210211_100009816921 [0,2,0,0,0,0|1,1,0]=4 12208 B12R1.45 CCCCSc1sccc1C=O 62a_100009816921_100000210210 [0,2,0,0,0,0|1,1,0]=4 12209 B12R1.45 CCCCSc1sccc1CC 62a_100000210211_200009875468 [0,2,0,0,0,0|1,1,0]=4 12210 B12R1.45 CCCCSc1sccc1CC 62a_200009875468_100000210210 [0,2,0,0,0,0|1,1,0]=4 12211 B12R1.45 CCCCSc1sccc1CN 62a_100000210211_100000727803 [0,2,0,0,0,0|1,1,0]=4 12212 B12R1.45 CCCCSc1sccc1CN 62a_100000727803_100000210210 [0,2,0,0,0,0|1,1,0]=4 12213 B12R1.45 CCCCSc1sccc1CO 62a_100000210211_100009816922 [0,2,0,0,0,0|1,1,0]=4 12214 B12R1.45 CCCCSc1sccc1CO 62a_100009816922_100000210210 [0,2,0,0,0,0|1,1,0]=4 12215 B12R1.45 CCCNCc1cccn1CC 2230a_103496549365_100000210303 [0,2,0,0,0,0|2,0,0]=4 12216 B12R1.45 CCCNCc1cccn1CC 270004a_100020643023_100011302050 [0,2,0,0,0,0|2,0,0]=4 12217 B12R1.45 CCCNCc1cccn1CC 34a_103496549365_100000210303 [0,2,0,0,0,0|2,0,0]=4 12218 B12R1.45 CCCNCc1occc1OC 207a_100020643023_200009856553 [0,2,0,0,0,0|1,0,0]=3 12219 B12R1.45 CCCNCc1occc1OC 270004a_100020643023_200009856553 [0,2,0,0,0,0|1,0,0]=3 12220 B12R1.45 CCCNCc1sccc1OC 207a_100020643023_100000689126 [0,2,0,0,0,0|1,1,0]=4 12221 B12R1.45 CCCNCc1sccc1OC 270004a_100020643023_100000689126 [0,2,0,0,0,0|1,1,0]=4 12222 B12R1.45 COc1ccoc1CNCCO 207a_100000210304_200009856553 [0,2,0,0,0,0|2,0,0]=4 12223 B12R1.45 COc1ccoc1CNCCO 270004a_100000210304_200009856553 [0,2,0,0,0,0|2,0,0]=4 12224 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [0,0,1,1,0,0|0,0,2]=4 12225 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,0,1,1,0,0|0,0,2]=4 12226 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,0,1,1,0,0|0,0,2]=4 12227 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,0,1,1,0,0|0,0,2]=4 12228 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,0,1,1,0,0|2,0,0]=4 12229 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,0,1,1,0,0|2,0,0]=4 12230 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,0,1,1,0,0|0,0,2]=4 12231 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,0,1,1,0,0|1,0,1]=4 12232 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,0,1,1,0,0|1,0,1]=4 12233 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,0,1,1,0,0|1,0,1]=4 12234 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [0,0,1,1,0,0|0,0,2]=4 12235 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [0,0,1,1,0,0|0,0,2]=4 12236 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [0,0,1,1,0,0|0,0,2]=4 12237 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,1,1,0,0|1,0,1]=4 12238 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,1,1,0,0|1,0,1]=4 12239 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,1,1,0,0|1,0,1]=4 12240 B10R1.177 C/C=C/C=C/COC1CC1 34a_100016283227_100000211595 [0,0,1,1,0,0|2,0,0]=4 12241 B10R1.487 C=CC1(CCCCC1)OC 34a_200011934219_200000210301 [0,0,1,1,0,0|0,0,2]=4 12242 B10R1.487 C=CC1(CCCCC1)OC 7a_200011934219_200000210301 [0,0,1,1,0,0|0,0,2]=4 12243 B10R1.487 C=CC1(CCCCC1)O[13CH3] 34a_200011934219_200025704644 [0,0,1,1,0,0|0,0,2]=4 12244 B10R1.487 C=CC1(CCCCC1)O[13CH3] 7a_200011934219_200025704644 [0,0,1,1,0,0|0,0,2]=4 12245 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [1,0,0,1,0,0|1,0,0]=3 12246 B10R2.193 c1coc(n1)SC2CC2 62a_100011787736_100000211595 [1,0,0,1,0,0|2,0,0]=4 12247 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [1,0,0,1,0,0|1,1,0]=4 12248 B10R2.193 c1ncc(o1)SC2CC2 62a_100020591547_100000211595 [1,0,0,1,0,0|2,0,0]=4 12249 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,0,1,0,1|2,0,0]=4 12250 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,0,1,0,1|2,0,0]=4 12251 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,0,1,0,1|2,0,0]=4 12252 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,0,1,0,1|2,0,0]=4 12253 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,0,1,0,1|2,0,0]=4 12254 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,0,1,0,1|2,0,0]=4 12255 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,0,1,0,1|2,0,0]=4 12256 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,0,1,0,1|2,0,0]=4 12257 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,0,1,0,1|2,0,0]=4 12258 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,0,1,0,1|2,0,0]=4 12259 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,0,1,0,1|2,0,0]=4 12260 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,0,1,0,1|2,0,0]=4 12261 B12R2.2 c1cc(ncn1)N2CCCC2 27a_100000188435_100000703185 [0,0,0,1,0,1|2,0,0]=4 12262 B12R2.2 c1cnc(cn1)N2CCCC2 27a_100000188435_100000211759 [0,0,0,1,0,1|2,0,0]=4 12263 B12R2.2 c1cnc(nc1)N2CCCC2 27a_100000188435_100000211032 [0,0,0,1,0,1|2,0,0]=4 12264 B12R2.2 c1cnnc(c1)N2CCCC2 27a_100000188435_100016991348 [0,0,0,1,0,1|2,0,0]=4 12265 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 12266 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 12267 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,1|2,0,0]=4 12268 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 12269 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 12270 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,1|2,0,0]=4 12271 B12R2.23 CC1CCN1c2cccnn2 27a_100000755817_100016991348 [0,0,0,1,0,1|2,0,0]=4 12272 B12R2.23 CC1CCN1c2ccncn2 27a_100000755817_100000703185 [0,0,0,1,0,1|2,0,0]=4 12273 B12R2.23 CC1CCN1c2cnccn2 27a_100000755817_100000211759 [0,0,0,1,0,1|2,0,0]=4 12274 B12R2.23 CC1CCN1c2ncccn2 27a_100000755817_100000211032 [0,0,0,1,0,1|2,0,0]=4 12275 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,1|2,0,0]=4 12276 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,1|2,0,0]=4 12277 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,1|2,0,0]=4 12278 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,1|2,0,0]=4 12279 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,1|2,0,0]=4 12280 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,1|2,0,0]=4 12281 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,1|2,0,0]=4 12282 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,1|2,0,0]=4 12283 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,1|2,0,0]=4 12284 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,1|2,0,0]=4 12285 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,1,0,1|2,0,0]=4 12286 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,1,0,1|2,0,0]=4 12287 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,1,0,1|2,0,0]=4 12288 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,1,0,1|2,0,0]=4 12289 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,0,0,1,0,1|2,0,0]=4 12290 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,0,0,1,0,1|2,0,0]=4 12291 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [0,0,0,1,0,1|2,0,0]=4 12292 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [0,0,0,1,0,1|2,0,0]=4 12293 B12R2.2057 c1cc(ncn1)NCC2CC2 27a_100000735609_100000703185 [0,0,0,1,0,1|2,0,0]=4 12294 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000703185_100000742324 [0,0,0,1,0,1|2,0,0]=4 12295 B12R2.2057 c1cc(ncn1)SCC2CC2 62a_100000756562_100000703185 [0,0,0,1,0,1|2,0,0]=4 12296 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,0,1,0,1|2,0,0]=4 12297 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,0,1,0,1|2,0,0]=4 12298 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,0,1,0,1|2,0,0]=4 12299 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,0,1,0,1|2,0,0]=4 12300 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,0,0,1,0,1|2,0,0]=4 12301 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,1|2,0,0]=4 12302 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,1|2,0,0]=4 12303 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,0,0,1,0,1|2,0,0]=4 12304 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,0,0,1,0,1|2,0,0]=4 12305 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,0,1,0,1|2,0,0]=4 12306 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,0,0,1,0,1|2,0,0]=4 12307 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,0,0,1,0,1|2,0,0]=4 12308 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,0,0,1,0,1|2,0,0]=4 12309 B12R2.2057 c1cnc(cn1)CNC2CC2 34a_100000212008_100016995436 [0,0,0,1,0,1|2,0,0]=4 12310 B12R2.2057 c1cnc(cn1)CSC2CC2 62a_100016995436_100000211595 [0,0,0,1,0,1|2,0,0]=4 12311 B12R2.2057 c1cnc(cn1)NCC2CC2 27a_100000735609_100000211759 [0,0,0,1,0,1|2,0,0]=4 12312 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000211759_100000742324 [0,0,0,1,0,1|2,0,0]=4 12313 B12R2.2057 c1cnc(cn1)SCC2CC2 62a_100000756562_100000211759 [0,0,0,1,0,1|2,0,0]=4 12314 B12R2.2057 c1cnc(nc1)CNC2CC2 34a_100000212008_100000703007 [0,0,0,1,0,1|2,0,0]=4 12315 B12R2.2057 c1cnc(nc1)CSC2CC2 62a_100000703007_100000211595 [0,0,0,1,0,1|2,0,0]=4 12316 B12R2.2057 c1cnc(nc1)NCC2CC2 27a_100000735609_100000211032 [0,0,0,1,0,1|2,0,0]=4 12317 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000211032_100000742324 [0,0,0,1,0,1|2,0,0]=4 12318 B12R2.2057 c1cnc(nc1)SCC2CC2 62a_100000756562_100000211032 [0,0,0,1,0,1|2,0,0]=4 12319 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,0,1,0,1|2,0,0]=4 12320 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,0,1,0,1|2,0,0]=4 12321 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,0,0,1,0,1|2,0,0]=4 12322 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,0,0,1,0,1|2,0,0]=4 12323 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,0,0,1,0,1|2,0,0]=4 12324 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,0,0,1,0,1|2,0,0]=4 12325 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [0,0,0,1,0,1|2,0,0]=4 12326 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [0,0,0,1,0,1|2,0,0]=4 12327 B12R2.2057 c1cnnc(c1)NCC2CC2 27a_100000735609_100016991348 [0,0,0,1,0,1|2,0,0]=4 12328 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100000756562_100016991348 [0,0,0,1,0,1|2,0,0]=4 12329 B12R2.2057 c1cnnc(c1)SCC2CC2 62a_100016991348_100000742324 [0,0,0,1,0,1|2,0,0]=4 12330 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [0,0,0,1,0,1|2,0,0]=4 12331 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [0,0,0,1,0,1|2,0,0]=4 12332 B12R2.2058 c1cc(ccn1)SC2CCC2 62a_100000728582_100000749161 [0,0,0,1,0,1|2,0,0]=4 12333 B12R2.2058 c1cc(ncn1)NC2CCC2 27a_100000749019_100000703185 [0,0,0,1,0,1|2,0,0]=4 12334 B12R2.2058 c1cc(ncn1)SC2CCC2 62a_100000703185_100000749161 [0,0,0,1,0,1|2,0,0]=4 12335 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,1,0,1|2,0,0]=4 12336 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,1,0,1|2,0,0]=4 12337 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,1,0,1|2,0,0]=4 12338 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,1,0,1|2,0,0]=4 12339 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,0,0,1,0,1|2,0,0]=4 12340 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,0,0,1,0,1|2,0,0]=4 12341 B12R2.2058 c1cnc(cn1)CN2CCC2 269982a_100000754969_100016995436 [0,0,0,1,0,1|2,0,0]=4 12342 B12R2.2058 c1cnc(cn1)NC2CCC2 27a_100000749019_100000211759 [0,0,0,1,0,1|2,0,0]=4 12343 B12R2.2058 c1cnc(cn1)SC2CCC2 62a_100000211759_100000749161 [0,0,0,1,0,1|2,0,0]=4 12344 B12R2.2058 c1cnc(nc1)CN2CCC2 269982a_100000754969_100000703007 [0,0,0,1,0,1|2,0,0]=4 12345 B12R2.2058 c1cnc(nc1)NC2CCC2 27a_100000749019_100000211032 [0,0,0,1,0,1|2,0,0]=4 12346 B12R2.2058 c1cnc(nc1)SC2CCC2 62a_100000211032_100000749161 [0,0,0,1,0,1|2,0,0]=4 12347 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [0,0,0,1,0,1|2,0,0]=4 12348 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,0,0,1,0,1|2,0,0]=4 12349 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [0,0,0,1,0,1|2,0,0]=4 12350 B12R2.2058 c1cnnc(c1)NC2CCC2 27a_100000749019_100016991348 [0,0,0,1,0,1|2,0,0]=4 12351 B12R2.2058 c1cnnc(c1)SC2CCC2 62a_100016991348_100000749161 [0,0,0,1,0,1|2,0,0]=4 12352 B12R2.10 CN1CCCC1c2ccco2 2230a_100011206061_200000210301 [0,1,0,1,0,0|0,0,0]=2 12353 B12R2.10 CN1CCCC1c2ccco2 269982a_100011206061_200000210301 [0,1,0,1,0,0|0,0,0]=2 12354 B12R2.10 CN1CCCC1c2cccs2 2230a_100000185107_200000210301 [0,1,0,1,0,0|0,1,0]=3 12355 B12R2.10 CN1CCCC1c2cccs2 269982a_100000185107_200000210301 [0,1,0,1,0,0|0,1,0]=3 12356 B12R2.10 CN1CCCC1c2cccs2 34a_100000185107_200000210301 [0,1,0,1,0,0|0,1,0]=3 12357 B12R2.10 CN1CCCC1c2ncc[nH]2 2230a_100000696250_200000210301 [0,1,0,1,0,0|2,0,0]=4 12358 B12R2.10 CN1CCCC1c2ncc[nH]2 269982a_100000696250_200000210301 [0,1,0,1,0,0|2,0,0]=4 12359 B12R2.10 CN1CCCC1c2nccs2 2230a_100102564405_200000210301 [0,1,0,1,0,0|1,1,0]=4 12360 B12R2.10 CN1CCCC1c2nccs2 269982a_100102564405_200000210301 [0,1,0,1,0,0|1,1,0]=4 12361 B12R2.10 [13CH3]N1CCCC1c2ccco2 2230a_100011206061_200025704644 [0,1,0,1,0,0|0,0,0]=2 12362 B12R2.10 [13CH3]N1CCCC1c2ccco2 269982a_100011206061_200025704644 [0,1,0,1,0,0|0,0,0]=2 12363 B12R2.10 [13CH3]N1CCCC1c2cccs2 2230a_100000185107_200025704644 [0,1,0,1,0,0|0,1,0]=3 12364 B12R2.10 [13CH3]N1CCCC1c2cccs2 269982a_100000185107_200025704644 [0,1,0,1,0,0|0,1,0]=3 12365 B12R2.10 [13CH3]N1CCCC1c2cccs2 34a_100000185107_200025704644 [0,1,0,1,0,0|0,1,0]=3 12366 B12R2.10 [13CH3]N1CCCC1c2ncc[nH]2 2230a_100000696250_200025704644 [0,1,0,1,0,0|2,0,0]=4 12367 B12R2.10 [13CH3]N1CCCC1c2ncc[nH]2 269982a_100000696250_200025704644 [0,1,0,1,0,0|2,0,0]=4 12368 B12R2.10 [13CH3]N1CCCC1c2nccs2 2230a_100102564405_200025704644 [0,1,0,1,0,0|1,1,0]=4 12369 B12R2.10 [13CH3]N1CCCC1c2nccs2 269982a_100102564405_200025704644 [0,1,0,1,0,0|1,1,0]=4 12370 B12R2.12 CC1CCN1Cc2c[nH]cn2 269982a_100000755817_100000707719 [0,1,0,1,0,0|2,0,0]=4 12371 B12R2.12 CC1CCN1Cc2c[nH]cn2 34a_100000755817_100000707719 [0,1,0,1,0,0|2,0,0]=4 12372 B12R2.12 CC1CCN1Cc2ccn[nH]2 269982a_100000755817_100000728653 [0,1,0,1,0,0|2,0,0]=4 12373 B12R2.12 CC1CCN1Cc2ccn[nH]2 34a_100000755817_100000728653 [0,1,0,1,0,0|2,0,0]=4 12374 B12R2.12 CC1CCN1Cc2ccon2 269982a_100000755817_100000234950 [0,1,0,1,0,0|2,0,0]=4 12375 B12R2.12 CC1CCN1Cc2ccon2 34a_100000755817_100000234950 [0,1,0,1,0,0|2,0,0]=4 12376 B12R2.12 CC1CCN1Cc2ccsc2 269982a_100000755817_100011233845 [0,1,0,1,0,0|2,0,0]=4 12377 B12R2.12 CC1CCN1Cc2ccsc2 34a_100000755817_100011261437 [0,1,0,1,0,0|2,0,0]=4 12378 B12R2.12 CC1CCN1Cc2cncs2 269982a_100000755817_100015185245 [0,1,0,1,0,0|1,1,0]=4 12379 B12R2.12 CC1CCN1Cc2cncs2 34a_100000755817_100015185245 [0,1,0,1,0,0|1,1,0]=4 12380 B12R2.12 CC1CCN1Cc2cscn2 269982a_100000755817_100000205941 [0,1,0,1,0,0|2,0,0]=4 12381 B12R2.12 CC1CCN1Cc2cscn2 34a_100000755817_100000205941 [0,1,0,1,0,0|2,0,0]=4 12382 B12R2.12 CC1CCN1Cc2ncc[nH]2 269982a_100000755817_100016991755 [0,1,0,1,0,0|2,0,0]=4 12383 B12R2.12 CC1CCN1Cc2ncc[nH]2 34a_100000755817_100016991755 [0,1,0,1,0,0|2,0,0]=4 12384 B12R2.12 CC1CCN1Cc2ncco2 269982a_100000755817_103436540062 [0,1,0,1,0,0|1,0,0]=3 12385 B12R2.12 CC1CCN1Cc2ncco2 34a_100000755817_103436540062 [0,1,0,1,0,0|1,0,0]=3 12386 B12R2.12 CC1CCN1Cc2nccs2 269982a_100000755817_100015184050 [0,1,0,1,0,0|1,1,0]=4 12387 B12R2.12 CC1CCN1Cc2nccs2 34a_100000755817_100015184050 [0,1,0,1,0,0|1,1,0]=4 12388 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009814098_100009892977 [0,1,0,1,0,0|1,0,1]=4 12389 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009892977_100009814098 [0,1,0,1,0,0|1,0,1]=4 12390 B12R2.20 F[C@@H]1C[C@H]1NCc2ncco2 2230a_100025746932_103436540062 [0,1,0,1,0,0|2,0,0]=4 12391 B12R2.20 F[C@@H]1C[C@H]1NCc2ncco2 34a_100025746932_103436540062 [0,1,0,1,0,0|2,0,0]=4 12392 B12R2.20 F[C@H]1C[C@H]1NCc2ncco2 2230a_100015190264_103436540062 [0,1,0,1,0,0|2,0,0]=4 12393 B12R2.98 C(=C1CCCC1)c2ccco2 271570a_100010378317_100009814098 [0,1,0,1,0,0|0,0,1]=3 12394 B12R2.98 C(=C1CCCC1)c2cccs2 271570a_100010378317_100011215356 [0,1,0,1,0,0|0,1,1]=4 12395 B12R2.98 C(=C1CCCC1)c2cnco2 271570a_100010378317_100020591547 [0,1,0,1,0,0|1,0,1]=4 12396 B12R2.98 C(=C1CCCC1)c2ncco2 271570a_100010378317_100011787736 [0,1,0,1,0,0|1,0,1]=4 12397 B12R2.98 c1c[nH]c(n1)CN2CCCC2 2230a_100000188435_100016991755 [0,1,0,1,0,0|2,0,0]=4 12398 B12R2.98 c1c[nH]c(n1)CN2CCCC2 269982a_100000188435_100016991755 [0,1,0,1,0,0|2,0,0]=4 12399 B12R2.98 c1c[nH]c(n1)SC2CCCC2 62a_100011217020_100025796157 [0,1,0,1,0,0|2,0,0]=4 12400 B12R2.98 c1c[nH]c(n1)SC2CCCC2 62a_100025796157_100000179811 [0,1,0,1,0,0|2,0,0]=4 12401 B12R2.98 c1cc([nH]n1)CN2CCCC2 2230a_100000188435_100000728653 [0,1,0,1,0,0|2,0,0]=4 12402 B12R2.98 c1cc([nH]n1)CN2CCCC2 269982a_100000188435_100000728653 [0,1,0,1,0,0|2,0,0]=4 12403 B12R2.98 c1cc(co1)CN2CCCC2 270004a_100000188435_100011215517 [0,1,0,1,0,0|2,0,0]=4 12404 B12R2.98 c1cc(co1)SC2CCCC2 62a_100011215275_100000179811 [0,1,0,1,0,0|2,0,0]=4 12405 B12R2.98 c1cc(co1)SC2CCCC2 62a_100011217020_100011215275 [0,1,0,1,0,0|2,0,0]=4 12406 B12R2.98 c1cc(cs1)CN2CCCC2 2230a_100000188435_100011261437 [0,1,0,1,0,0|2,0,0]=4 12407 B12R2.98 c1cc(cs1)CN2CCCC2 269982a_100000188435_100011233845 [0,1,0,1,0,0|2,0,0]=4 12408 B12R2.98 c1cc(cs1)CN2CCCC2 270004a_100000188435_100000188534 [0,1,0,1,0,0|2,0,0]=4 12409 B12R2.98 c1cc(cs1)OC2CCCC2 34a_100000106738_100000179811 [0,1,0,1,0,0|2,0,0]=4 12410 B12R2.98 c1cc(cs1)OC2CCCC2 7a_100000106738_100000179811 [0,1,0,1,0,0|2,0,0]=4 12411 B12R2.98 c1cc(cs1)SC2CCCC2 62a_100000738268_100000179811 [0,1,0,1,0,0|2,0,0]=4 12412 B12R2.98 c1cc(cs1)SC2CCCC2 62a_100011217020_100000738268 [0,1,0,1,0,0|2,0,0]=4 12413 B12R2.98 c1cc(n[nH]1)CN2CCCC2 270004a_100000188435_100000738523 [0,1,0,1,0,0|2,0,0]=4 12414 B12R2.98 c1cc(n[nH]1)SC2CCCC2 62a_100000062575_100000179811 [0,1,0,1,0,0|2,0,0]=4 12415 B12R2.98 c1cc(n[nH]1)SC2CCCC2 62a_100011217020_100000062575 [0,1,0,1,0,0|2,0,0]=4 12416 B12R2.98 c1cc(no1)CN2CCCC2 2230a_100000188435_100000234950 [0,1,0,1,0,0|2,0,0]=4 12417 B12R2.98 c1cc(no1)CN2CCCC2 269982a_100000188435_100000234950 [0,1,0,1,0,0|2,0,0]=4 12418 B12R2.98 c1cc(no1)SC2CCCC2 62a_100009818083_100000179811 [0,1,0,1,0,0|2,0,0]=4 12419 B12R2.98 c1cc(no1)SC2CCCC2 62a_100011217020_100009818083 [0,1,0,1,0,0|2,0,0]=4 12420 B12R2.98 c1cc(ns1)SC2CCCC2 62a_100009818082_100000179811 [0,1,0,1,0,0|2,0,0]=4 12421 B12R2.98 c1cc(ns1)SC2CCCC2 62a_100011217020_100009818082 [0,1,0,1,0,0|2,0,0]=4 12422 B12R2.98 c1coc(c1)CN2CCCC2 270004a_100000188435_100000186105 [0,1,0,1,0,0|0,0,0]=2 12423 B12R2.98 c1coc(c1)CN2CCSC2 270004a_100011215254_100000186105 [0,1,0,1,0,0|1,0,0]=3 12424 B12R2.98 c1coc(c1)SC2CCCC2 62a_100009814098_100000179811 [0,1,0,1,0,0|0,0,0]=2 12425 B12R2.98 c1coc(c1)SC2CCCC2 62a_100011217020_100009814098 [0,1,0,1,0,0|0,0,0]=2 12426 B12R2.98 c1coc(c1)SC2CCOC2 62a_100009814098_100000690089 [0,1,0,1,0,0|1,0,0]=3 12427 B12R2.98 c1coc(n1)CN2CCCC2 2230a_100000188435_103436540062 [0,1,0,1,0,0|1,0,0]=3 12428 B12R2.98 c1coc(n1)CN2CCCC2 269982a_100000188435_103436540062 [0,1,0,1,0,0|1,0,0]=3 12429 B12R2.98 c1coc(n1)CN2CCCC2 270004a_100000188435_100000064290 [0,1,0,1,0,0|1,0,0]=3 12430 B12R2.98 c1coc(n1)CN2CCSC2 2230a_100011215254_103436540062 [0,1,0,1,0,0|2,0,0]=4 12431 B12R2.98 c1coc(n1)CN2CCSC2 269982a_100011215254_103436540062 [0,1,0,1,0,0|2,0,0]=4 12432 B12R2.98 c1coc(n1)CN2CCSC2 270004a_100011215254_100000064290 [0,1,0,1,0,0|2,0,0]=4 12433 B12R2.98 c1coc(n1)SC2CCCC2 62a_100011217020_100011787736 [0,1,0,1,0,0|1,0,0]=3 12434 B12R2.98 c1coc(n1)SC2CCCC2 62a_100011787736_100000179811 [0,1,0,1,0,0|1,0,0]=3 12435 B12R2.98 c1coc(n1)SC2CCOC2 62a_100011787736_100000690089 [0,1,0,1,0,0|2,0,0]=4 12436 B12R2.98 c1csc(c1)CN2CCCC2 270004a_100000188435_100000209959 [0,1,0,1,0,0|0,1,0]=3 12437 B12R2.98 c1csc(c1)CN2CCSC2 270004a_100011215254_100000209959 [0,1,0,1,0,0|1,1,0]=4 12438 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011215356_100000179811 [0,1,0,1,0,0|0,1,0]=3 12439 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011217020_100011215356 [0,1,0,1,0,0|0,1,0]=3 12440 B12R2.98 c1csc(c1)SC2CCOC2 62a_100011215356_100000690089 [0,1,0,1,0,0|1,1,0]=4 12441 B12R2.98 c1csc(n1)CN2CCCC2 2230a_100000188435_100015184050 [0,1,0,1,0,0|1,1,0]=4 12442 B12R2.98 c1csc(n1)CN2CCCC2 269982a_100000188435_100015184050 [0,1,0,1,0,0|1,1,0]=4 12443 B12R2.98 c1csc(n1)CN2CCCC2 270004a_100000188435_100000750902 [0,1,0,1,0,0|1,1,0]=4 12444 B12R2.98 c1csc(n1)SC2CCCC2 62a_100000211983_100000179811 [0,1,0,1,0,0|1,1,0]=4 12445 B12R2.98 c1csc(n1)SC2CCCC2 62a_100011217020_100000211983 [0,1,0,1,0,0|1,1,0]=4 12446 B12R2.98 c1nc(c[nH]1)CN2CCCC2 2230a_100000188435_100000707719 [0,1,0,1,0,0|2,0,0]=4 12447 B12R2.98 c1nc(c[nH]1)CN2CCCC2 269982a_100000188435_100000707719 [0,1,0,1,0,0|2,0,0]=4 12448 B12R2.98 c1nc(c[nH]1)SC2CCCC2 62a_100000756875_100000179811 [0,1,0,1,0,0|2,0,0]=4 12449 B12R2.98 c1nc(c[nH]1)SC2CCCC2 62a_100011217020_100000756875 [0,1,0,1,0,0|2,0,0]=4 12450 B12R2.98 c1nc(co1)CN2CCCC2 270004a_100000188435_100000050382 [0,1,0,1,0,0|2,0,0]=4 12451 B12R2.98 c1nc(cs1)CN2CCCC2 2230a_100000188435_100000205941 [0,1,0,1,0,0|2,0,0]=4 12452 B12R2.98 c1nc(cs1)CN2CCCC2 269982a_100000188435_100000205941 [0,1,0,1,0,0|2,0,0]=4 12453 B12R2.98 c1nc(cs1)CN2CCCC2 270004a_100000188435_100000743575 [0,1,0,1,0,0|2,0,0]=4 12454 B12R2.98 c1nc(cs1)SC2CCCC2 62a_100000751502_100000179811 [0,1,0,1,0,0|2,0,0]=4 12455 B12R2.98 c1nc(cs1)SC2CCCC2 62a_100011217020_100000751502 [0,1,0,1,0,0|2,0,0]=4 12456 B12R2.98 c1ncc(o1)CN2CCCC2 270004a_100000188435_100000064291 [0,1,0,1,0,0|1,0,0]=3 12457 B12R2.98 c1ncc(o1)CN2CCSC2 270004a_100011215254_100000064291 [0,1,0,1,0,0|2,0,0]=4 12458 B12R2.98 c1ncc(o1)SC2CCCC2 62a_100011217020_100020591547 [0,1,0,1,0,0|1,0,0]=3 12459 B12R2.98 c1ncc(o1)SC2CCCC2 62a_100020591547_100000179811 [0,1,0,1,0,0|1,0,0]=3 12460 B12R2.98 c1ncc(o1)SC2CCOC2 62a_100020591547_100000690089 [0,1,0,1,0,0|2,0,0]=4 12461 B12R2.98 c1ncc(s1)CN2CCCC2 2230a_100000188435_100015185245 [0,1,0,1,0,0|1,1,0]=4 12462 B12R2.98 c1ncc(s1)CN2CCCC2 269982a_100000188435_100015185245 [0,1,0,1,0,0|1,1,0]=4 12463 B12R2.98 c1ncc(s1)CN2CCCC2 270004a_100000188435_100000749870 [0,1,0,1,0,0|1,1,0]=4 12464 B12R2.98 c1ncc(s1)SC2CCCC2 62a_100011217020_100011934649 [0,1,0,1,0,0|1,1,0]=4 12465 B12R2.98 c1ncc(s1)SC2CCCC2 62a_100011934649_100000179811 [0,1,0,1,0,0|1,1,0]=4 12466 B12R2.144 CCNC1CCc2c1ccs2 269862a_100015525214_100000011361 [0,1,0,1,0,0|0,1,0]=3 12467 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [0,1,0,1,0,0|2,0,0]=4 12468 B12R2.315 CNC1CCCc2c1cco2 269862a_106832991636_100000744050 [0,1,0,1,0,0|0,0,0]=2 12469 B12R2.315 CNC1CCCc2c1ccs2 269862a_106832991636_100000024123 [0,1,0,1,0,0|0,1,0]=3 12470 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [0,1,0,1,0,0|2,0,0]=4 12471 B12R2.315 CNC1CCCn2c1ccn2 269862a_106832991636_100009866777 [0,1,0,1,0,0|2,0,0]=4 12472 B12R2.2056 c1c[nH]c(n1)CNC2CCC2 2230a_100000749019_100016991755 [0,1,0,1,0,0|2,0,0]=4 12473 B12R2.2056 c1c[nH]c(n1)CNC2CCC2 270004a_100000754540_100000241760 [0,1,0,1,0,0|2,0,0]=4 12474 B12R2.2056 c1c[nH]c(n1)CNC2CCC2 34a_100000749019_100016991755 [0,1,0,1,0,0|2,0,0]=4 12475 B12R2.2056 c1c[nH]c(n1)COC2CCC2 34a_100000748187_100016991755 [0,1,0,1,0,0|2,0,0]=4 12476 B12R2.2056 c1c[nH]c(n1)CSC2CCC2 62a_100016991755_100000749161 [0,1,0,1,0,0|2,0,0]=4 12477 B12R2.2056 c1c[nH]c(n1)SCC2CCC2 62a_100000763275_100025796157 [0,1,0,1,0,0|2,0,0]=4 12478 B12R2.2056 c1c[nH]c(n1)SCC2CCC2 62a_100025796157_100000763275 [0,1,0,1,0,0|2,0,0]=4 12479 B12R2.2056 c1cc([nH]n1)CNC2CCC2 2230a_100000749019_100000728653 [0,1,0,1,0,0|2,0,0]=4 12480 B12R2.2056 c1cc([nH]n1)CNC2CCC2 34a_100000749019_100000728653 [0,1,0,1,0,0|2,0,0]=4 12481 B12R2.2056 c1cc([nH]n1)COC2CCC2 34a_100000748187_100000728653 [0,1,0,1,0,0|2,0,0]=4 12482 B12R2.2056 c1cc([nH]n1)CSC2CCC2 62a_100000728653_100000749161 [0,1,0,1,0,0|2,0,0]=4 12483 B12R2.2056 c1cc(co1)CNC2CCC2 270004a_100015206860_100000241760 [0,1,0,1,0,0|2,0,0]=4 12484 B12R2.2056 c1cc(co1)CNC2CCC2 34a_100015206860_100000749161 [0,1,0,1,0,0|2,0,0]=4 12485 B12R2.2056 c1cc(co1)COC2CCC2 34a_100011215357_100000749161 [0,1,0,1,0,0|2,0,0]=4 12486 B12R2.2056 c1cc(co1)SCC2CCC2 62a_100000763275_100011215275 [0,1,0,1,0,0|2,0,0]=4 12487 B12R2.2056 c1cc(co1)SCC2CCC2 62a_100011215275_100000763275 [0,1,0,1,0,0|2,0,0]=4 12488 B12R2.2056 c1cc(cs1)CNC2CCC2 2230a_100000749019_100011261437 [0,1,0,1,0,0|2,0,0]=4 12489 B12R2.2056 c1cc(cs1)CNC2CCC2 270004a_100000186416_100000241760 [0,1,0,1,0,0|2,0,0]=4 12490 B12R2.2056 c1cc(cs1)CNC2CCC2 34a_100000186416_100000749161 [0,1,0,1,0,0|2,0,0]=4 12491 B12R2.2056 c1cc(cs1)CNC2CCC2 34a_100000749019_100011261437 [0,1,0,1,0,0|2,0,0]=4 12492 B12R2.2056 c1cc(cs1)COC2CCC2 34a_100000748187_100011261437 [0,1,0,1,0,0|2,0,0]=4 12493 B12R2.2056 c1cc(cs1)COC2CCC2 34a_100011215551_100000749161 [0,1,0,1,0,0|2,0,0]=4 12494 B12R2.2056 c1cc(cs1)CSC2CCC2 62a_100011261437_100000749161 [0,1,0,1,0,0|2,0,0]=4 12495 B12R2.2056 c1cc(cs1)OCC2CCC2 34a_100000106738_100000763275 [0,1,0,1,0,0|2,0,0]=4 12496 B12R2.2056 c1cc(cs1)OCC2CCC2 7a_100000106738_100000763275 [0,1,0,1,0,0|2,0,0]=4 12497 B12R2.2056 c1cc(cs1)SCC2CCC2 62a_100000738268_100000763275 [0,1,0,1,0,0|2,0,0]=4 12498 B12R2.2056 c1cc(cs1)SCC2CCC2 62a_100000763275_100000738268 [0,1,0,1,0,0|2,0,0]=4 12499 B12R2.2056 c1cc(n[nH]1)SCC2CCC2 62a_100000062575_100000763275 [0,1,0,1,0,0|2,0,0]=4 12500 B12R2.2056 c1cc(n[nH]1)SCC2CCC2 62a_100000763275_100000062575 [0,1,0,1,0,0|2,0,0]=4 12501 B12R2.2056 c1cc(no1)CNC2CCC2 2230a_100000749019_100000234950 [0,1,0,1,0,0|2,0,0]=4 12502 B12R2.2056 c1cc(no1)CNC2CCC2 270004a_100000688301_100000241760 [0,1,0,1,0,0|2,0,0]=4 12503 B12R2.2056 c1cc(no1)CNC2CCC2 34a_100000749019_100000234950 [0,1,0,1,0,0|2,0,0]=4 12504 B12R2.2056 c1cc(no1)COC2CCC2 34a_100000748187_100000234950 [0,1,0,1,0,0|2,0,0]=4 12505 B12R2.2056 c1cc(no1)CSC2CCC2 62a_100000234950_100000749161 [0,1,0,1,0,0|2,0,0]=4 12506 B12R2.2056 c1cc(no1)SCC2CCC2 62a_100000763275_100009818083 [0,1,0,1,0,0|2,0,0]=4 12507 B12R2.2056 c1cc(no1)SCC2CCC2 62a_100009818083_100000763275 [0,1,0,1,0,0|2,0,0]=4 12508 B12R2.2056 c1cc(ns1)SCC2CCC2 62a_100000763275_100009818082 [0,1,0,1,0,0|2,0,0]=4 12509 B12R2.2056 c1cc(ns1)SCC2CCC2 62a_100009818082_100000763275 [0,1,0,1,0,0|2,0,0]=4 12510 B12R2.2056 c1cc(on1)COC2CCC2 34a_100000740478_100000749161 [0,1,0,1,0,0|1,0,0]=3 12511 B12R2.2056 c1cc(on1)COC2COC2 34a_100000740478_100009818527 [0,1,0,1,0,0|2,0,0]=4 12512 B12R2.2056 c1ccn(c1)CCN2CCC2 269982a_100000754969_200000035178 [0,1,0,1,0,0|2,0,0]=4 12513 B12R2.2056 c1cnn(c1)CCN2CCC2 269982a_100000754969_100000685285 [0,1,0,1,0,0|2,0,0]=4 12514 B12R2.2056 c1cnn(c1)COC2CCC2 34a_100000731028_100000749161 [0,1,0,1,0,0|2,0,0]=4 12515 B12R2.2056 c1coc(c1)CNC2CCC2 270004a_100000185738_100000241760 [0,1,0,1,0,0|0,0,0]=2 12516 B12R2.2056 c1coc(c1)CNC2CCC2 34a_100000185738_100000749161 [0,1,0,1,0,0|0,0,0]=2 12517 B12R2.2056 c1coc(c1)CNC2COC2 207a_100016991112_100000186105 [0,1,0,1,0,0|1,0,0]=3 12518 B12R2.2056 c1coc(c1)CNC2COC2 270004a_100016991112_100000186105 [0,1,0,1,0,0|1,0,0]=3 12519 B12R2.2056 c1coc(c1)CNC2COC2 34a_100000185738_100009818527 [0,1,0,1,0,0|1,0,0]=3 12520 B12R2.2056 c1coc(c1)CNC2CSC2 207a_100016994217_100000186105 [0,1,0,1,0,0|1,0,0]=3 12521 B12R2.2056 c1coc(c1)CNC2CSC2 270004a_100016994217_100000186105 [0,1,0,1,0,0|1,0,0]=3 12522 B12R2.2056 c1coc(c1)COC2CCC2 34a_100000210059_100000749161 [0,1,0,1,0,0|0,0,0]=2 12523 B12R2.2056 c1coc(c1)COC2COC2 34a_100000210059_100009818527 [0,1,0,1,0,0|1,0,0]=3 12524 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100000763275_100009814098 [0,1,0,1,0,0|0,0,0]=2 12525 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100009814098_100000763275 [0,1,0,1,0,0|0,0,0]=2 12526 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100000103362_100009814098 [0,1,0,1,0,0|1,0,0]=3 12527 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100009814098_100000103362 [0,1,0,1,0,0|1,0,0]=3 12528 B12R2.2056 c1coc(c1)SCC2COC2 62a_100009814098_100010264016 [0,1,0,1,0,0|1,0,0]=3 12529 B12R2.2056 c1coc(c1)SCC2COC2 62a_100010264016_100009814098 [0,1,0,1,0,0|1,0,0]=3 12530 B12R2.2056 c1coc(n1)CNC2CCC2 2230a_100000749019_103436540062 [0,1,0,1,0,0|1,0,0]=3 12531 B12R2.2056 c1coc(n1)CNC2CCC2 34a_100000749019_103436540062 [0,1,0,1,0,0|1,0,0]=3 12532 B12R2.2056 c1coc(n1)CNC2COC2 2230a_100016991112_103436540062 [0,1,0,1,0,0|2,0,0]=4 12533 B12R2.2056 c1coc(n1)CNC2COC2 270004a_100016991112_100000064290 [0,1,0,1,0,0|2,0,0]=4 12534 B12R2.2056 c1coc(n1)CNC2CSC2 270004a_100016994217_100000064290 [0,1,0,1,0,0|2,0,0]=4 12535 B12R2.2056 c1coc(n1)COC2CCC2 34a_100000062594_100000749161 [0,1,0,1,0,0|1,0,0]=3 12536 B12R2.2056 c1coc(n1)COC2CCC2 34a_100000748187_103436540062 [0,1,0,1,0,0|1,0,0]=3 12537 B12R2.2056 c1coc(n1)COC2COC2 34a_100000062594_100009818527 [0,1,0,1,0,0|2,0,0]=4 12538 B12R2.2056 c1coc(n1)COC2CSC2 7a_100000072292_103436540062 [0,1,0,1,0,0|2,0,0]=4 12539 B12R2.2056 c1coc(n1)CSC2CCC2 62a_103436540062_100000749161 [0,1,0,1,0,0|1,0,0]=3 12540 B12R2.2056 c1coc(n1)CSC2COC2 62a_103436540062_100009818527 [0,1,0,1,0,0|2,0,0]=4 12541 B12R2.2056 c1coc(n1)SCC2CCC2 62a_100000763275_100011787736 [0,1,0,1,0,0|1,0,0]=3 12542 B12R2.2056 c1coc(n1)SCC2CCC2 62a_100011787736_100000763275 [0,1,0,1,0,0|1,0,0]=3 12543 B12R2.2056 c1coc(n1)SCC2CCO2 62a_100000103362_100011787736 [0,1,0,1,0,0|2,0,0]=4 12544 B12R2.2056 c1coc(n1)SCC2CCO2 62a_100011787736_100000103362 [0,1,0,1,0,0|2,0,0]=4 12545 B12R2.2056 c1coc(n1)SCC2COC2 62a_100010264016_100011787736 [0,1,0,1,0,0|2,0,0]=4 12546 B12R2.2056 c1coc(n1)SCC2COC2 62a_100011787736_100010264016 [0,1,0,1,0,0|2,0,0]=4 12547 B12R2.2056 c1csc(c1)CCN2CCC2 269982a_100000754969_100000748579 [0,1,0,1,0,0|0,1,0]=3 12548 B12R2.2056 c1csc(c1)CNC2CCC2 270004a_100000211653_100000241760 [0,1,0,1,0,0|0,1,0]=3 12549 B12R2.2056 c1csc(c1)CNC2COC2 207a_100016991112_100000209959 [0,1,0,1,0,0|1,1,0]=4 12550 B12R2.2056 c1csc(c1)CNC2COC2 270004a_100016991112_100000209959 [0,1,0,1,0,0|1,1,0]=4 12551 B12R2.2056 c1csc(c1)CNC2CSC2 207a_100016994217_100000209959 [0,1,0,1,0,0|1,1,0]=4 12552 B12R2.2056 c1csc(c1)CNC2CSC2 270004a_100016994217_100000209959 [0,1,0,1,0,0|1,1,0]=4 12553 B12R2.2056 c1csc(c1)COC2CCC2 34a_100000211240_100000749161 [0,1,0,1,0,0|0,1,0]=3 12554 B12R2.2056 c1csc(c1)COC2COC2 34a_100000211240_100009818527 [0,1,0,1,0,0|1,1,0]=4 12555 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100000763275_100011215356 [0,1,0,1,0,0|0,1,0]=3 12556 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100011215356_100000763275 [0,1,0,1,0,0|0,1,0]=3 12557 B12R2.2056 c1csc(c1)SCC2CCO2 62a_100000103362_100011215356 [0,1,0,1,0,0|1,1,0]=4 12558 B12R2.2056 c1csc(c1)SCC2CCO2 62a_100011215356_100000103362 [0,1,0,1,0,0|1,1,0]=4 12559 B12R2.2056 c1csc(c1)SCC2COC2 62a_100010264016_100011215356 [0,1,0,1,0,0|1,1,0]=4 12560 B12R2.2056 c1csc(c1)SCC2COC2 62a_100011215356_100010264016 [0,1,0,1,0,0|1,1,0]=4 12561 B12R2.2056 c1csc(n1)CNC2CCC2 2230a_100000749019_100015184050 [0,1,0,1,0,0|1,1,0]=4 12562 B12R2.2056 c1csc(n1)CNC2CCC2 270004a_100000740555_100000241760 [0,1,0,1,0,0|1,1,0]=4 12563 B12R2.2056 c1csc(n1)CNC2CCC2 34a_100000749019_100015184050 [0,1,0,1,0,0|1,1,0]=4 12564 B12R2.2056 c1csc(n1)COC2CCC2 34a_100000748187_100015184050 [0,1,0,1,0,0|1,1,0]=4 12565 B12R2.2056 c1csc(n1)CSC2CCC2 62a_100015184050_100000749161 [0,1,0,1,0,0|1,1,0]=4 12566 B12R2.2056 c1csc(n1)SCC2CCC2 62a_100000211983_100000763275 [0,1,0,1,0,0|1,1,0]=4 12567 B12R2.2056 c1csc(n1)SCC2CCC2 62a_100000763275_100000211983 [0,1,0,1,0,0|1,1,0]=4 12568 B12R2.2056 c1nc(c[nH]1)CCN2CCC2 269982a_100000754969_100020628418 [0,1,0,1,0,0|2,0,0]=4 12569 B12R2.2056 c1nc(c[nH]1)CNC2CCC2 2230a_100000749019_100000707719 [0,1,0,1,0,0|2,0,0]=4 12570 B12R2.2056 c1nc(c[nH]1)CNC2CCC2 34a_100000749019_100000707719 [0,1,0,1,0,0|2,0,0]=4 12571 B12R2.2056 c1nc(c[nH]1)COC2CCC2 34a_100000748187_100000707719 [0,1,0,1,0,0|2,0,0]=4 12572 B12R2.2056 c1nc(c[nH]1)CSC2CCC2 62a_100000707719_100000749161 [0,1,0,1,0,0|2,0,0]=4 12573 B12R2.2056 c1nc(c[nH]1)SCC2CCC2 62a_100000756875_100000763275 [0,1,0,1,0,0|2,0,0]=4 12574 B12R2.2056 c1nc(c[nH]1)SCC2CCC2 62a_100000763275_100000756875 [0,1,0,1,0,0|2,0,0]=4 12575 B12R2.2056 c1nc(co1)CNC2CCC2 270004a_100015188801_100000241760 [0,1,0,1,0,0|2,0,0]=4 12576 B12R2.2056 c1nc(cs1)CNC2CCC2 2230a_100000749019_100000205941 [0,1,0,1,0,0|2,0,0]=4 12577 B12R2.2056 c1nc(cs1)CNC2CCC2 34a_100000749019_100000205941 [0,1,0,1,0,0|2,0,0]=4 12578 B12R2.2056 c1nc(cs1)COC2CCC2 34a_100000748187_100000205941 [0,1,0,1,0,0|2,0,0]=4 12579 B12R2.2056 c1nc(cs1)CSC2CCC2 62a_100000205941_100000749161 [0,1,0,1,0,0|2,0,0]=4 12580 B12R2.2056 c1nc(cs1)SCC2CCC2 62a_100000751502_100000763275 [0,1,0,1,0,0|2,0,0]=4 12581 B12R2.2056 c1nc(cs1)SCC2CCC2 62a_100000763275_100000751502 [0,1,0,1,0,0|2,0,0]=4 12582 B12R2.2056 c1ncc(o1)CNC2CCC2 270004a_100020634212_100000241760 [0,1,0,1,0,0|1,0,0]=3 12583 B12R2.2056 c1ncc(o1)CNC2COC2 270004a_100016991112_100000064291 [0,1,0,1,0,0|2,0,0]=4 12584 B12R2.2056 c1ncc(o1)CNC2CSC2 270004a_100016994217_100000064291 [0,1,0,1,0,0|2,0,0]=4 12585 B12R2.2056 c1ncc(o1)SCC2CCC2 62a_100000763275_100020591547 [0,1,0,1,0,0|1,0,0]=3 12586 B12R2.2056 c1ncc(o1)SCC2CCC2 62a_100020591547_100000763275 [0,1,0,1,0,0|1,0,0]=3 12587 B12R2.2056 c1ncc(o1)SCC2CCO2 62a_100000103362_100020591547 [0,1,0,1,0,0|2,0,0]=4 12588 B12R2.2056 c1ncc(o1)SCC2CCO2 62a_100020591547_100000103362 [0,1,0,1,0,0|2,0,0]=4 12589 B12R2.2056 c1ncc(o1)SCC2COC2 62a_100010264016_100020591547 [0,1,0,1,0,0|2,0,0]=4 12590 B12R2.2056 c1ncc(o1)SCC2COC2 62a_100020591547_100010264016 [0,1,0,1,0,0|2,0,0]=4 12591 B12R2.2056 c1ncc(s1)CNC2CCC2 2230a_100000749019_100015185245 [0,1,0,1,0,0|1,1,0]=4 12592 B12R2.2056 c1ncc(s1)CNC2CCC2 270004a_100016987365_100000241760 [0,1,0,1,0,0|1,1,0]=4 12593 B12R2.2056 c1ncc(s1)CNC2CCC2 34a_100000749019_100015185245 [0,1,0,1,0,0|1,1,0]=4 12594 B12R2.2056 c1ncc(s1)COC2CCC2 34a_100000748187_100015185245 [0,1,0,1,0,0|1,1,0]=4 12595 B12R2.2056 c1ncc(s1)CSC2CCC2 62a_100015185245_100000749161 [0,1,0,1,0,0|1,1,0]=4 12596 B12R2.2056 c1ncc(s1)SCC2CCC2 62a_100000763275_100011934649 [0,1,0,1,0,0|1,1,0]=4 12597 B12R2.2056 c1ncc(s1)SCC2CCC2 62a_100011934649_100000763275 [0,1,0,1,0,0|1,1,0]=4 12598 B12R2.2383 C(=NNC1CC1)c2ccco2 4a_100000701032_100000186105 [0,1,0,1,0,0|1,0,1]=4 12599 B12R2.2383 c1c[nH]c(n1)CCOC2CC2 34a_103549771195_100000211595 [0,1,0,1,0,0|2,0,0]=4 12600 B12R2.2383 c1c[nH]c(n1)CNCC2CC2 207a_100000735609_100000743867 [0,1,0,1,0,0|2,0,0]=4 12601 B12R2.2383 c1c[nH]c(n1)CNCC2CC2 2230a_100000735609_100016991755 [0,1,0,1,0,0|2,0,0]=4 12602 B12R2.2383 c1c[nH]c(n1)CNCC2CC2 34a_100000735609_100016991755 [0,1,0,1,0,0|2,0,0]=4 12603 B12R2.2383 c1c[nH]c(n1)COCC2CC2 34a_100000211283_100016991755 [0,1,0,1,0,0|2,0,0]=4 12604 B12R2.2383 c1c[nH]c(n1)CSCC2CC2 62a_100000756562_100016991755 [0,1,0,1,0,0|2,0,0]=4 12605 B12R2.2383 c1c[nH]c(n1)CSCC2CC2 62a_100016991755_100000742324 [0,1,0,1,0,0|2,0,0]=4 12606 B12R2.2383 c1c[nH]c(n1)SCCC2CC2 62a_100000764125_100025796157 [0,1,0,1,0,0|2,0,0]=4 12607 B12R2.2383 c1c[nH]c(n1)SCCC2CC2 62a_100025796157_100000764125 [0,1,0,1,0,0|2,0,0]=4 12608 B12R2.2383 c1cc([nH]n1)CNCC2CC2 2230a_100000735609_100000728653 [0,1,0,1,0,0|2,0,0]=4 12609 B12R2.2383 c1cc([nH]n1)CNCC2CC2 34a_100000735609_100000728653 [0,1,0,1,0,0|2,0,0]=4 12610 B12R2.2383 c1cc([nH]n1)COCC2CC2 34a_100000211283_100000728653 [0,1,0,1,0,0|2,0,0]=4 12611 B12R2.2383 c1cc([nH]n1)CSCC2CC2 62a_100000728653_100000742324 [0,1,0,1,0,0|2,0,0]=4 12612 B12R2.2383 c1cc([nH]n1)CSCC2CC2 62a_100000756562_100000728653 [0,1,0,1,0,0|2,0,0]=4 12613 B12R2.2383 c1cc(co1)CNCC2CC2 207a_100000735609_100011215517 [0,1,0,1,0,0|2,0,0]=4 12614 B12R2.2383 c1cc(co1)CNCC2CC2 2230a_100015206860_100000742324 [0,1,0,1,0,0|2,0,0]=4 12615 B12R2.2383 c1cc(co1)CNCC2CC2 269862a_100015206860_100000741477 [0,1,0,1,0,0|2,0,0]=4 12616 B12R2.2383 c1cc(co1)CNCC2CC2 270004a_100000735609_100011215517 [0,1,0,1,0,0|2,0,0]=4 12617 B12R2.2383 c1cc(co1)CNCC2CC2 34a_100015206860_100000742324 [0,1,0,1,0,0|2,0,0]=4 12618 B12R2.2383 c1cc(co1)COCC2CC2 34a_100011215357_100000742324 [0,1,0,1,0,0|2,0,0]=4 12619 B12R2.2383 c1cc(co1)SCCC2CC2 62a_100000764125_100011215275 [0,1,0,1,0,0|2,0,0]=4 12620 B12R2.2383 c1cc(co1)SCCC2CC2 62a_100011215275_100000764125 [0,1,0,1,0,0|2,0,0]=4 12621 B12R2.2383 c1cc(cs1)CCNC2CC2 34a_100000692642_100000211595 [0,1,0,1,0,0|2,0,0]=4 12622 B12R2.2383 c1cc(cs1)CCOC2CC2 34a_100000748821_100000211595 [0,1,0,1,0,0|2,0,0]=4 12623 B12R2.2383 c1cc(cs1)CNCC2CC2 207a_100000735609_100000188534 [0,1,0,1,0,0|2,0,0]=4 12624 B12R2.2383 c1cc(cs1)CNCC2CC2 2230a_100000186416_100000742324 [0,1,0,1,0,0|2,0,0]=4 12625 B12R2.2383 c1cc(cs1)CNCC2CC2 2230a_100000735609_100011261437 [0,1,0,1,0,0|2,0,0]=4 12626 B12R2.2383 c1cc(cs1)CNCC2CC2 269862a_100000186416_100000741477 [0,1,0,1,0,0|2,0,0]=4 12627 B12R2.2383 c1cc(cs1)CNCC2CC2 270004a_100000735609_100000188534 [0,1,0,1,0,0|2,0,0]=4 12628 B12R2.2383 c1cc(cs1)CNCC2CC2 34a_100000186416_100000742324 [0,1,0,1,0,0|2,0,0]=4 12629 B12R2.2383 c1cc(cs1)CNCC2CC2 34a_100000735609_100011261437 [0,1,0,1,0,0|2,0,0]=4 12630 B12R2.2383 c1cc(cs1)COCC2CC2 34a_100000211283_100011261437 [0,1,0,1,0,0|2,0,0]=4 12631 B12R2.2383 c1cc(cs1)COCC2CC2 34a_100011215551_100000742324 [0,1,0,1,0,0|2,0,0]=4 12632 B12R2.2383 c1cc(cs1)CSCC2CC2 62a_100000756562_100011233845 [0,1,0,1,0,0|2,0,0]=4 12633 B12R2.2383 c1cc(cs1)CSCC2CC2 62a_100011261437_100000742324 [0,1,0,1,0,0|2,0,0]=4 12634 B12R2.2383 c1cc(cs1)OCCC2CC2 34a_100000106738_100000694398 [0,1,0,1,0,0|2,0,0]=4 12635 B12R2.2383 c1cc(cs1)OCCC2CC2 7a_100000106738_100000764125 [0,1,0,1,0,0|2,0,0]=4 12636 B12R2.2383 c1cc(cs1)SCCC2CC2 62a_100000738268_100000764125 [0,1,0,1,0,0|2,0,0]=4 12637 B12R2.2383 c1cc(cs1)SCCC2CC2 62a_100000764125_100000738268 [0,1,0,1,0,0|2,0,0]=4 12638 B12R2.2383 c1cc(n[nH]1)CNCC2CC2 207a_100000735609_100000738523 [0,1,0,1,0,0|2,0,0]=4 12639 B12R2.2383 c1cc(n[nH]1)CNCC2CC2 269862a_100000739516_100000741477 [0,1,0,1,0,0|2,0,0]=4 12640 B12R2.2383 c1cc(n[nH]1)CNCC2CC2 270004a_100000735609_100000738523 [0,1,0,1,0,0|2,0,0]=4 12641 B12R2.2383 c1cc(n[nH]1)SCCC2CC2 62a_100000062575_100000764125 [0,1,0,1,0,0|2,0,0]=4 12642 B12R2.2383 c1cc(n[nH]1)SCCC2CC2 62a_100000764125_100000062575 [0,1,0,1,0,0|2,0,0]=4 12643 B12R2.2383 c1cc(no1)CNCC2CC2 2230a_100000735609_100000234950 [0,1,0,1,0,0|2,0,0]=4 12644 B12R2.2383 c1cc(no1)CNCC2CC2 269862a_100000688301_100000741477 [0,1,0,1,0,0|2,0,0]=4 12645 B12R2.2383 c1cc(no1)CNCC2CC2 34a_100000735609_100000234950 [0,1,0,1,0,0|2,0,0]=4 12646 B12R2.2383 c1cc(no1)COCC2CC2 34a_100000211283_100000234950 [0,1,0,1,0,0|2,0,0]=4 12647 B12R2.2383 c1cc(no1)CSCC2CC2 62a_100000234950_100000742324 [0,1,0,1,0,0|2,0,0]=4 12648 B12R2.2383 c1cc(no1)CSCC2CC2 62a_100000756562_100000234950 [0,1,0,1,0,0|2,0,0]=4 12649 B12R2.2383 c1cc(no1)SCCC2CC2 62a_100000764125_100009818083 [0,1,0,1,0,0|2,0,0]=4 12650 B12R2.2383 c1cc(no1)SCCC2CC2 62a_100009818083_100000764125 [0,1,0,1,0,0|2,0,0]=4 12651 B12R2.2383 c1cc(ns1)SCCC2CC2 62a_100000764125_100009818082 [0,1,0,1,0,0|2,0,0]=4 12652 B12R2.2383 c1cc(ns1)SCCC2CC2 62a_100009818082_100000764125 [0,1,0,1,0,0|2,0,0]=4 12653 B12R2.2383 c1cc(on1)COCC2CC2 34a_100000740478_100000742324 [0,1,0,1,0,0|1,0,0]=3 12654 B12R2.2383 c1cc(on1)COCC2CO2 34a_100000740478_102125554688 [0,1,0,1,0,0|2,0,0]=4 12655 B12R2.2383 c1ccn(c1)CCNC2CC2 34a_100011368172_100000211595 [0,1,0,1,0,0|2,0,0]=4 12656 B12R2.2383 c1ccn(c1)CCOC2CC2 34a_100000179382_100000211595 [0,1,0,1,0,0|2,0,0]=4 12657 B12R2.2383 c1ccn(c1)CCSC2CC2 62a_200009811947_100000211595 [0,1,0,1,0,0|2,0,0]=4 12658 B12R2.2383 c1cnn(c1)CCNC2CC2 34a_100000212008_100015204718 [0,1,0,1,0,0|2,0,0]=4 12659 B12R2.2383 c1cnn(c1)CCOC2CC2 34a_100000743371_100000211595 [0,1,0,1,0,0|2,0,0]=4 12660 B12R2.2383 c1cnn(c1)CCSC2CC2 62a_100015204718_100000211595 [0,1,0,1,0,0|2,0,0]=4 12661 B12R2.2383 c1cnn(c1)COCC2CC2 34a_100000731028_100000742324 [0,1,0,1,0,0|2,0,0]=4 12662 B12R2.2383 c1coc(c1)CCNC2CC2 34a_100000694680_100000211595 [0,1,0,1,0,0|0,0,0]=2 12663 B12R2.2383 c1coc(c1)CNCC2CC2 207a_100000735609_100000186105 [0,1,0,1,0,0|0,0,0]=2 12664 B12R2.2383 c1coc(c1)CNCC2CC2 2230a_100000185738_100000742324 [0,1,0,1,0,0|0,0,0]=2 12665 B12R2.2383 c1coc(c1)CNCC2CC2 270004a_100000735609_100000186105 [0,1,0,1,0,0|0,0,0]=2 12666 B12R2.2383 c1coc(c1)CNCC2CC2 34a_100000185738_100000742324 [0,1,0,1,0,0|0,0,0]=2 12667 B12R2.2383 c1coc(c1)CNCC2CO2 2230a_100000185738_100011216344 [0,1,0,1,0,0|1,0,0]=3 12668 B12R2.2383 c1coc(c1)CNCC2CO2 34a_100000185738_102125554688 [0,1,0,1,0,0|1,0,0]=3 12669 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [0,1,0,1,0,0|0,0,0]=2 12670 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [0,1,0,1,0,0|1,0,0]=3 12671 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [0,1,0,1,0,0|0,0,0]=2 12672 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [0,1,0,1,0,0|0,0,0]=2 12673 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100000732470_100009814098 [0,1,0,1,0,0|1,0,0]=3 12674 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100009814098_100000732470 [0,1,0,1,0,0|1,0,0]=3 12675 B12R2.2383 c1coc(n1)CNCC2CC2 2230a_100000735609_103436540062 [0,1,0,1,0,0|1,0,0]=3 12676 B12R2.2383 c1coc(n1)CNCC2CC2 2230a_100016994969_100000742324 [0,1,0,1,0,0|1,0,0]=3 12677 B12R2.2383 c1coc(n1)CNCC2CC2 270004a_100000735609_100000064290 [0,1,0,1,0,0|1,0,0]=3 12678 B12R2.2383 c1coc(n1)CNCC2CC2 34a_100000735609_103436540062 [0,1,0,1,0,0|1,0,0]=3 12679 B12R2.2383 c1coc(n1)CNCC2CO2 2230a_100016994969_100011216344 [0,1,0,1,0,0|2,0,0]=4 12680 B12R2.2383 c1coc(n1)COCC2CC2 34a_100000062594_100000742324 [0,1,0,1,0,0|1,0,0]=3 12681 B12R2.2383 c1coc(n1)COCC2CC2 34a_100000211283_103436540062 [0,1,0,1,0,0|1,0,0]=3 12682 B12R2.2383 c1coc(n1)COCC2CO2 34a_100000062594_102125554688 [0,1,0,1,0,0|2,0,0]=4 12683 B12R2.2383 c1coc(n1)COC[C@@H]2CO2 34a_100000757423_103436540062 [0,1,0,1,0,0|2,0,0]=4 12684 B12R2.2383 c1coc(n1)CSCC2CC2 62a_100000756562_103436540062 [0,1,0,1,0,0|1,0,0]=3 12685 B12R2.2383 c1coc(n1)CSCC2CC2 62a_103436540062_100000742324 [0,1,0,1,0,0|1,0,0]=3 12686 B12R2.2383 c1coc(n1)CSCC2CO2 62a_102125554688_103436540062 [0,1,0,1,0,0|2,0,0]=4 12687 B12R2.2383 c1coc(n1)CSCC2CO2 62a_103436540062_102125554688 [0,1,0,1,0,0|2,0,0]=4 12688 B12R2.2383 c1coc(n1)CSCC2CS2 62a_100000031435_103436540062 [0,1,0,1,0,0|2,0,0]=4 12689 B12R2.2383 c1coc(n1)CSCC2CS2 62a_103436540062_100000031435 [0,1,0,1,0,0|2,0,0]=4 12690 B12R2.2383 c1coc(n1)CSC[C@@H]2CO2 62a_100000745022_103436540062 [0,1,0,1,0,0|2,0,0]=4 12691 B12R2.2383 c1coc(n1)CSC[C@@H]2CO2 62a_103436540062_100000745022 [0,1,0,1,0,0|2,0,0]=4 12692 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100000764125_100011787736 [0,1,0,1,0,0|1,0,0]=3 12693 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100011787736_100000764125 [0,1,0,1,0,0|1,0,0]=3 12694 B12R2.2383 c1coc(n1)SCCC2CO2 62a_100000732470_100011787736 [0,1,0,1,0,0|2,0,0]=4 12695 B12R2.2383 c1coc(n1)SCCC2CO2 62a_100011787736_100000732470 [0,1,0,1,0,0|2,0,0]=4 12696 B12R2.2383 c1csc(c1)CCNC2CC2 34a_100000203755_100000211595 [0,1,0,1,0,0|0,1,0]=3 12697 B12R2.2383 c1csc(c1)CCNC2CC2 34a_100000212008_100000748579 [0,1,0,1,0,0|0,1,0]=3 12698 B12R2.2383 c1csc(c1)CCOC2CC2 34a_100011216825_100000211595 [0,1,0,1,0,0|0,1,0]=3 12699 B12R2.2383 c1csc(c1)CCSC2CC2 62a_100000748579_100000211595 [0,1,0,1,0,0|0,1,0]=3 12700 B12R2.2383 c1csc(c1)CNCC2CC2 207a_100000735609_100000209959 [0,1,0,1,0,0|0,1,0]=3 12701 B12R2.2383 c1csc(c1)CNCC2CC2 2230a_100000211653_100000742324 [0,1,0,1,0,0|0,1,0]=3 12702 B12R2.2383 c1csc(c1)CNCC2CC2 269862a_100000211653_100000741477 [0,1,0,1,0,0|0,1,0]=3 12703 B12R2.2383 c1csc(c1)CNCC2CC2 270004a_100000735609_100000209959 [0,1,0,1,0,0|0,1,0]=3 12704 B12R2.2383 c1csc(c1)CNCC2CO2 2230a_100000211653_100011216344 [0,1,0,1,0,0|1,1,0]=4 12705 B12R2.2383 c1csc(c1)COCC2CC2 34a_100000211240_100000742324 [0,1,0,1,0,0|0,1,0]=3 12706 B12R2.2383 c1csc(c1)COCC2CO2 34a_100000211240_102125554688 [0,1,0,1,0,0|1,1,0]=4 12707 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100000764125_100011215356 [0,1,0,1,0,0|0,1,0]=3 12708 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100011215356_100000764125 [0,1,0,1,0,0|0,1,0]=3 12709 B12R2.2383 c1csc(c1)SCCC2CO2 62a_100000732470_100011215356 [0,1,0,1,0,0|1,1,0]=4 12710 B12R2.2383 c1csc(c1)SCCC2CO2 62a_100011215356_100000732470 [0,1,0,1,0,0|1,1,0]=4 12711 B12R2.2383 c1csc(n1)CNCC2CC2 207a_100000735609_100000750902 [0,1,0,1,0,0|1,1,0]=4 12712 B12R2.2383 c1csc(n1)CNCC2CC2 2230a_100000735609_100015184050 [0,1,0,1,0,0|1,1,0]=4 12713 B12R2.2383 c1csc(n1)CNCC2CC2 2230a_100000740555_100000742324 [0,1,0,1,0,0|1,1,0]=4 12714 B12R2.2383 c1csc(n1)CNCC2CC2 269862a_100000740555_100000741477 [0,1,0,1,0,0|1,1,0]=4 12715 B12R2.2383 c1csc(n1)CNCC2CC2 270004a_100000735609_100000750902 [0,1,0,1,0,0|1,1,0]=4 12716 B12R2.2383 c1csc(n1)CNCC2CC2 34a_100000735609_100015184050 [0,1,0,1,0,0|1,1,0]=4 12717 B12R2.2383 c1csc(n1)COCC2CC2 34a_100000211283_100015184050 [0,1,0,1,0,0|1,1,0]=4 12718 B12R2.2383 c1csc(n1)CSCC2CC2 62a_100000756562_100015184050 [0,1,0,1,0,0|1,1,0]=4 12719 B12R2.2383 c1csc(n1)CSCC2CC2 62a_100015184050_100000742324 [0,1,0,1,0,0|1,1,0]=4 12720 B12R2.2383 c1csc(n1)SCCC2CC2 62a_100000211983_100000764125 [0,1,0,1,0,0|1,1,0]=4 12721 B12R2.2383 c1csc(n1)SCCC2CC2 62a_100000764125_100000211983 [0,1,0,1,0,0|1,1,0]=4 12722 B12R2.2383 c1nc(c[nH]1)CCSC2CC2 62a_100020628418_100000211595 [0,1,0,1,0,0|2,0,0]=4 12723 B12R2.2383 c1nc(c[nH]1)CNCC2CC2 2230a_100000735609_100000707719 [0,1,0,1,0,0|2,0,0]=4 12724 B12R2.2383 c1nc(c[nH]1)CNCC2CC2 34a_100000735609_100000707719 [0,1,0,1,0,0|2,0,0]=4 12725 B12R2.2383 c1nc(c[nH]1)COCC2CC2 34a_100000211283_100000707719 [0,1,0,1,0,0|2,0,0]=4 12726 B12R2.2383 c1nc(c[nH]1)CSCC2CC2 62a_100000707719_100000742324 [0,1,0,1,0,0|2,0,0]=4 12727 B12R2.2383 c1nc(c[nH]1)CSCC2CC2 62a_100000756562_100000707719 [0,1,0,1,0,0|2,0,0]=4 12728 B12R2.2383 c1nc(c[nH]1)SCCC2CC2 62a_100000756875_100000764125 [0,1,0,1,0,0|2,0,0]=4 12729 B12R2.2383 c1nc(c[nH]1)SCCC2CC2 62a_100000764125_100000756875 [0,1,0,1,0,0|2,0,0]=4 12730 B12R2.2383 c1nc(co1)CNCC2CC2 269862a_100015188801_100000741477 [0,1,0,1,0,0|2,0,0]=4 12731 B12R2.2383 c1nc(co1)CNCC2CC2 270004a_100000735609_100000050382 [0,1,0,1,0,0|2,0,0]=4 12732 B12R2.2383 c1nc(cs1)CNCC2CC2 207a_100000735609_100000743575 [0,1,0,1,0,0|2,0,0]=4 12733 B12R2.2383 c1nc(cs1)CNCC2CC2 2230a_100000735609_100000205941 [0,1,0,1,0,0|2,0,0]=4 12734 B12R2.2383 c1nc(cs1)CNCC2CC2 2230a_100015185402_100000742324 [0,1,0,1,0,0|2,0,0]=4 12735 B12R2.2383 c1nc(cs1)CNCC2CC2 269862a_100015185402_100000741477 [0,1,0,1,0,0|2,0,0]=4 12736 B12R2.2383 c1nc(cs1)CNCC2CC2 270004a_100000735609_100000743575 [0,1,0,1,0,0|2,0,0]=4 12737 B12R2.2383 c1nc(cs1)CNCC2CC2 34a_100000735609_100000205941 [0,1,0,1,0,0|2,0,0]=4 12738 B12R2.2383 c1nc(cs1)COCC2CC2 34a_100000211283_100000205941 [0,1,0,1,0,0|2,0,0]=4 12739 B12R2.2383 c1nc(cs1)CSCC2CC2 62a_100000205941_100000742324 [0,1,0,1,0,0|2,0,0]=4 12740 B12R2.2383 c1nc(cs1)CSCC2CC2 62a_100000756562_100000205941 [0,1,0,1,0,0|2,0,0]=4 12741 B12R2.2383 c1nc(cs1)SCCC2CC2 62a_100000751502_100000764125 [0,1,0,1,0,0|2,0,0]=4 12742 B12R2.2383 c1nc(cs1)SCCC2CC2 62a_100000764125_100000751502 [0,1,0,1,0,0|2,0,0]=4 12743 B12R2.2383 c1ncc([nH]1)CNCC2CC2 207a_100000735609_100000742939 [0,1,0,1,0,0|2,0,0]=4 12744 B12R2.2383 c1ncc(o1)CNCC2CC2 269862a_100020634212_100000741477 [0,1,0,1,0,0|1,0,0]=3 12745 B12R2.2383 c1ncc(o1)CNCC2CC2 270004a_100000735609_100000064291 [0,1,0,1,0,0|1,0,0]=3 12746 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100000764125_100020591547 [0,1,0,1,0,0|1,0,0]=3 12747 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100020591547_100000764125 [0,1,0,1,0,0|1,0,0]=3 12748 B12R2.2383 c1ncc(o1)SCCC2CO2 62a_100000732470_100020591547 [0,1,0,1,0,0|2,0,0]=4 12749 B12R2.2383 c1ncc(o1)SCCC2CO2 62a_100020591547_100000732470 [0,1,0,1,0,0|2,0,0]=4 12750 B12R2.2383 c1ncc(s1)CNCC2CC2 207a_100000735609_100000749870 [0,1,0,1,0,0|1,1,0]=4 12751 B12R2.2383 c1ncc(s1)CNCC2CC2 2230a_100000735609_100015185245 [0,1,0,1,0,0|1,1,0]=4 12752 B12R2.2383 c1ncc(s1)CNCC2CC2 2230a_100016987365_100000742324 [0,1,0,1,0,0|1,1,0]=4 12753 B12R2.2383 c1ncc(s1)CNCC2CC2 269862a_100016987365_100000741477 [0,1,0,1,0,0|1,1,0]=4 12754 B12R2.2383 c1ncc(s1)CNCC2CC2 270004a_100000735609_100000749870 [0,1,0,1,0,0|1,1,0]=4 12755 B12R2.2383 c1ncc(s1)CNCC2CC2 34a_100000735609_100015185245 [0,1,0,1,0,0|1,1,0]=4 12756 B12R2.2383 c1ncc(s1)COCC2CC2 34a_100000211283_100015185245 [0,1,0,1,0,0|1,1,0]=4 12757 B12R2.2383 c1ncc(s1)CSCC2CC2 62a_100000756562_100015185245 [0,1,0,1,0,0|1,1,0]=4 12758 B12R2.2383 c1ncc(s1)CSCC2CC2 62a_100015185245_100000742324 [0,1,0,1,0,0|1,1,0]=4 12759 B12R2.2383 c1ncc(s1)SCCC2CC2 62a_100000764125_100011934649 [0,1,0,1,0,0|1,1,0]=4 12760 B12R2.2383 c1ncc(s1)SCCC2CC2 62a_100011934649_100000764125 [0,1,0,1,0,0|1,1,0]=4 12761 B12R2.6 Cc1noc(n1)C2CCCC2 270196a_100000212224_100000210718 [0,1,0,1,0,0|2,0,0]=4 12762 B12R2.6 Oc1ccc(o1)C2OCCO2 271570a_203496583355_200010165186 [0,1,0,1,0,0|2,0,0]=4 12763 B12R2.6 Oc1cnn(c1)C2CCCC2 271570a_203496583355_100012073187 [0,1,0,1,0,0|2,0,0]=4 12764 B12R2.44 CCN1CCc2sccc2C1 2230a_100015185043_100000210202 [0,1,0,1,0,0|1,1,0]=4 12765 B12R2.44 CCN1CCc2sccc2C1 269982a_100015185043_100000204670 [0,1,0,1,0,0|1,1,0]=4 12766 B12R2.44 CCN1CCc2sccc2C1 34a_100015185043_100000210202 [0,1,0,1,0,0|1,1,0]=4 12767 B12R2.82 CC1c2ccsc2CCN1C 2230a_100000018849_200000210301 [0,1,0,1,0,0|1,1,0]=4 12768 B12R2.82 CC1c2ccsc2CCN1C 269982a_100000018849_200000210301 [0,1,0,1,0,0|1,1,0]=4 12769 B12R2.82 CC1c2ccsc2CCN1C 34a_100000018849_200000210301 [0,1,0,1,0,0|1,1,0]=4 12770 B12R2.82 CC1c2ccsc2CCN1[13CH3] 2230a_100000018849_200025704644 [0,1,0,1,0,0|1,1,0]=4 12771 B12R2.82 CC1c2ccsc2CCN1[13CH3] 269982a_100000018849_200025704644 [0,1,0,1,0,0|1,1,0]=4 12772 B12R2.82 CC1c2ccsc2CCN1[13CH3] 34a_100000018849_200025704644 [0,1,0,1,0,0|1,1,0]=4 12773 B12R2.2399 CC1(CC1)NCc2ccco2 207a_100000757604_100000186105 [0,1,0,1,0,0|1,0,0]=3 12774 B12R2.2399 CC1(CC1)NCc2cccs2 207a_100000757604_100000209959 [0,1,0,1,0,0|1,1,0]=4 12775 B12R2.2399 CC1(CC1)NCc2ncco2 2230a_100000757604_103436540062 [0,1,0,1,0,0|2,0,0]=4 12776 B12R2.2399 CC1(CC1)OCc2ncco2 7a_100011725673_103436540062 [0,1,0,1,0,0|2,0,0]=4 12777 B12R2.2399 CC1(CO1)CSc2ccco2 62a_100000760498_100009814098 [0,1,0,1,0,0|2,0,0]=4 12778 B12R2.2399 CC1(CO1)CSc2ccco2 62a_100009814098_100000760498 [0,1,0,1,0,0|2,0,0]=4 12779 B12R2.73 CCC1CC1c2nc(no2)C 270196a_100000212224_200011661523 [0,1,0,1,0,0|2,0,0]=4 12780 B12R2.2298 Brc1cc(on1)CNC2CC2 34a_100015193020_100000211595 [0,1,0,1,0,0|2,0,0]=4 12781 B12R2.2298 Brc1cc(on1)COC2CC2 34a_100009816691_100000211595 [0,1,0,1,0,0|2,0,0]=4 12782 B12R2.2298 Brc1cc(on1)CSC2CC2 62a_100000709089_100000211595 [0,1,0,1,0,0|2,0,0]=4 12783 B12R2.2298 Brc1ccc(o1)CNC2CC2 34a_100000708654_100000211595 [0,1,0,1,0,0|1,0,0]=3 12784 B12R2.2298 Brc1ccc(o1)COC2CC2 34a_100000246276_100000211595 [0,1,0,1,0,0|1,0,0]=3 12785 B12R2.2298 Brc1ccc(s1)CNC2CC2 34a_100000212008_100000708592 [0,1,0,1,0,0|1,1,0]=4 12786 B12R2.2298 Brc1ccc(s1)CSC2CC2 62a_100000708592_100000211595 [0,1,0,1,0,0|1,1,0]=4 12787 B12R2.2298 Brc1ccc(s1)SCC2CC2 62a_100000756562_100010197418 [0,1,0,1,0,0|1,1,0]=4 12788 B12R2.2298 Brc1ccc(s1)SCC2CC2 62a_100010197418_100000742324 [0,1,0,1,0,0|1,1,0]=4 12789 B12R2.2298 Brc1csc(c1)CNC2CC2 34a_100000212008_100000746031 [0,1,0,1,0,0|1,1,0]=4 12790 B12R2.2298 Brc1csc(c1)CNC2CC2 34a_100000741024_100000211595 [0,1,0,1,0,0|1,1,0]=4 12791 B12R2.2298 Brc1csc(c1)COC2CC2 34a_100000238369_100000211595 [0,1,0,1,0,0|1,1,0]=4 12792 B12R2.2298 Brc1csc(c1)CSC2CC2 62a_100000746031_100000211595 [0,1,0,1,0,0|1,1,0]=4 12793 B12R2.2298 Cc1cc(on1)CNC2CC2 34a_100000212008_100000707947 [0,1,0,1,0,0|2,0,0]=4 12794 B12R2.2298 Cc1cc(on1)CNC2CC2 34a_100000745748_100000211595 [0,1,0,1,0,0|2,0,0]=4 12795 B12R2.2298 Cc1cc(on1)COC2CC2 34a_100000684692_100000211595 [0,1,0,1,0,0|2,0,0]=4 12796 B12R2.2298 Cc1cc(on1)CSC2CC2 62a_100000707947_100000211595 [0,1,0,1,0,0|2,0,0]=4 12797 B12R2.2298 Cc1ccc(o1)CNC2CC2 34a_100011194323_100000211595 [0,1,0,1,0,0|1,0,0]=3 12798 B12R2.2298 Cc1ccc(o1)COC2CC2 34a_100011232665_100000211595 [0,1,0,1,0,0|1,0,0]=3 12799 B12R2.2298 Cc1ccc(s1)COC2CC2 34a_100000238367_100000211595 [0,1,0,1,0,0|1,1,0]=4 12800 B12R2.2298 Cc1ccc(s1)SCC2CC2 62a_100000031368_100000742324 [0,1,0,1,0,0|1,1,0]=4 12801 B12R2.2298 Cc1ccc(s1)SCC2CC2 62a_100000756562_100000031368 [0,1,0,1,0,0|1,1,0]=4 12802 B12R2.2298 Cc1cnc(o1)CNC2CC2 34a_100138411809_100000211595 [0,1,0,1,0,0|2,0,0]=4 12803 B12R2.2298 Cc1csc(c1)CNC2CC2 34a_100015204214_100000211595 [0,1,0,1,0,0|1,1,0]=4 12804 B12R2.2298 Cc1csc(c1)COC2CC2 34a_200000068372_100000211595 [0,1,0,1,0,0|1,1,0]=4 12805 B12R2.2298 Cc1csc(c1)SCC2CC2 62a_100000756562_100009876951 [0,1,0,1,0,0|1,1,0]=4 12806 B12R2.2298 Cc1csc(c1)SCC2CC2 62a_100009876951_100000742324 [0,1,0,1,0,0|1,1,0]=4 12807 B12R2.2298 Cc1noc(n1)CCC2CC2 270196a_100000212224_100000756386 [0,1,0,1,0,0|2,0,0]=4 12808 B12R2.2298 Clc1ccc(s1)CNC2CC2 34a_100000212008_100000185097 [0,1,0,1,0,0|1,1,0]=4 12809 B12R2.2298 Clc1ccc(s1)CSC2CC2 62a_100000185097_100000211595 [0,1,0,1,0,0|1,1,0]=4 12810 B12R2.2301 Brc1cc(on1)CN2CCC2 269982a_100000754969_100000709089 [0,1,0,1,0,0|2,0,0]=4 12811 B12R2.2301 Brc1ccc(s1)CN2CCC2 269982a_100000754969_100000708592 [0,1,0,1,0,0|1,1,0]=4 12812 B12R2.2301 Brc1ccc(s1)SC2CCC2 62a_100010197418_100000749161 [0,1,0,1,0,0|1,1,0]=4 12813 B12R2.2301 Brc1csc(c1)CN2CCC2 269982a_100000754969_100000746031 [0,1,0,1,0,0|1,1,0]=4 12814 B12R2.2301 Cc1cc(on1)CN2CCC2 269982a_100000754969_100000707947 [0,1,0,1,0,0|2,0,0]=4 12815 B12R2.2301 Cc1ccc(s1)SC2CCC2 62a_100000031368_100000749161 [0,1,0,1,0,0|1,1,0]=4 12816 B12R2.2301 Cc1csc(c1)SC2CCC2 62a_100009876951_100000749161 [0,1,0,1,0,0|1,1,0]=4 12817 B12R2.2301 Cc1noc(n1)CC2CCC2 270196a_100000212224_100000763092 [0,1,0,1,0,0|2,0,0]=4 12818 B12R2.2301 Clc1ccc(s1)CN2CCC2 269982a_100000754969_100000185097 [0,1,0,1,0,0|1,1,0]=4 12819 B12R2.2074 C[C@H](OC1CC1)c2ccco2 34a_100000755270_100000211595 [0,1,0,1,0,0|1,0,0]=3 12820 B12R2.136 CC1CN(C1)Cc2ccco2 270004a_100000702820_100000186105 [0,1,0,1,0,0|1,0,0]=3 12821 B12R2.136 CC1CN(C1)Cc2cccs2 270004a_100000702820_100000209959 [0,1,0,1,0,0|1,1,0]=4 12822 B12R2.136 CC1CN(C1)Cc2cnco2 270004a_100000702820_100000064291 [0,1,0,1,0,0|2,0,0]=4 12823 B12R2.136 CC1CN(C1)Cc2ncco2 2230a_100000702820_103436540062 [0,1,0,1,0,0|2,0,0]=4 12824 B12R2.136 CC1CN(C1)Cc2ncco2 269982a_100000702820_103436540062 [0,1,0,1,0,0|2,0,0]=4 12825 B12R2.136 CC1CN(C1)Cc2ncco2 270004a_100000702820_100000064290 [0,1,0,1,0,0|2,0,0]=4 12826 B12R2.136 CC1CN(C1)Cc2ncco2 34a_100000702820_103436540062 [0,1,0,1,0,0|2,0,0]=4 12827 B12R2.136 FC1CN(C1)Cc2ccco2 270004a_100000690557_100000186105 [0,1,0,1,0,0|1,0,0]=3 12828 B12R2.136 FC1CN(C1)Cc2cccs2 270004a_100000690557_100000209959 [0,1,0,1,0,0|1,1,0]=4 12829 B12R2.136 FC1CN(C1)Cc2cnco2 270004a_100000690557_100000064291 [0,1,0,1,0,0|2,0,0]=4 12830 B12R2.136 FC1CN(C1)Cc2ncco2 2230a_100000690557_103436540062 [0,1,0,1,0,0|2,0,0]=4 12831 B12R2.136 FC1CN(C1)Cc2ncco2 269982a_100000690557_103436540062 [0,1,0,1,0,0|2,0,0]=4 12832 B12R2.136 FC1CN(C1)Cc2ncco2 270004a_100000690557_100000064290 [0,1,0,1,0,0|2,0,0]=4 12833 B12R2.136 FC1CN(C1)Cc2ncco2 34a_100000690557_103436540062 [0,1,0,1,0,0|2,0,0]=4 12834 B12R2.136 O=C1CC(C1)Sc2ccco2 62a_100009894365_100009814098 [0,1,0,1,0,0|1,0,1]=4 12835 B12R2.136 OC1CN(C1)Cc2ncco2 269982a_100000749847_103436540062 [0,1,0,1,0,0|2,0,0]=4 12836 B12R2.1423 CN(Cc1ccco1)C2CC2 2230a_100000201577_200000210301 [0,1,0,1,0,0|1,0,0]=3 12837 B12R2.1423 CN(Cc1ccco1)C2CC2 269982a_100000185268_100000211595 [0,1,0,1,0,0|1,0,0]=3 12838 B12R2.1423 CN(Cc1ccco1)C2CC2 269982a_100000201577_200000210301 [0,1,0,1,0,0|1,0,0]=3 12839 B12R2.1423 CN(Cc1ccco1)C2CC2 270004a_100000226674_100000186105 [0,1,0,1,0,0|1,0,0]=3 12840 B12R2.1423 CN(Cc1ccco1)C2CC2 34a_100000201577_200000210301 [0,1,0,1,0,0|1,0,0]=3 12841 B12R2.1423 CN(Cc1cccs1)C2CC2 2230a_100000201566_200000210301 [0,1,0,1,0,0|1,1,0]=4 12842 B12R2.1423 CN(Cc1cccs1)C2CC2 269982a_100000184426_100000211595 [0,1,0,1,0,0|1,1,0]=4 12843 B12R2.1423 CN(Cc1cccs1)C2CC2 269982a_100000201566_200000210301 [0,1,0,1,0,0|1,1,0]=4 12844 B12R2.1423 CN(Cc1cccs1)C2CC2 270004a_100000226674_100000209959 [0,1,0,1,0,0|1,1,0]=4 12845 B12R2.1423 CN(Cc1cccs1)C2CC2 34a_100000201566_200000210301 [0,1,0,1,0,0|1,1,0]=4 12846 B12R2.1423 CN(Cc1cnco1)C2CC2 270004a_100000226674_100000064291 [0,1,0,1,0,0|2,0,0]=4 12847 B12R2.1423 CN(Cc1ncco1)C2CC2 2230a_100000226674_103436540062 [0,1,0,1,0,0|2,0,0]=4 12848 B12R2.1423 CN(Cc1ncco1)C2CC2 269982a_100000226674_103436540062 [0,1,0,1,0,0|2,0,0]=4 12849 B12R2.1423 CN(Cc1ncco1)C2CC2 270004a_100000226674_100000064290 [0,1,0,1,0,0|2,0,0]=4 12850 B12R2.1423 O=C(Cc1ncco1)C2CC2 1458a_100000210395_103436540062 [0,1,0,1,0,0|1,0,1]=4 12851 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 2230a_100000201577_200025704644 [0,1,0,1,0,0|1,0,0]=3 12852 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 269982a_100000201577_200025704644 [0,1,0,1,0,0|1,0,0]=3 12853 B12R2.1423 [13CH3]N(Cc1ccco1)C2CC2 34a_100000201577_200025704644 [0,1,0,1,0,0|1,0,0]=3 12854 B12R2.1423 [13CH3]N(Cc1cccs1)C2CC2 2230a_100000201566_200025704644 [0,1,0,1,0,0|1,1,0]=4 12855 B12R2.1423 [13CH3]N(Cc1cccs1)C2CC2 269982a_100000201566_200025704644 [0,1,0,1,0,0|1,1,0]=4 12856 B12R2.1423 [13CH3]N(Cc1cccs1)C2CC2 34a_100000201566_200025704644 [0,1,0,1,0,0|1,1,0]=4 12857 B12R2.466 Brc1ccsc1COC2CC2 34a_100000702026_100000211595 [0,1,0,1,0,0|1,1,0]=4 12858 B12R2.466 Brc1ccsc1SCC2CC2 62a_100000756562_100012361411 [0,1,0,1,0,0|1,1,0]=4 12859 B12R2.466 Brc1ccsc1SCC2CC2 62a_100012361411_100000742324 [0,1,0,1,0,0|1,1,0]=4 12860 B12R2.466 Cc1ccoc1COC2CC2 34a_100011273948_100000211595 [0,1,0,1,0,0|1,0,0]=3 12861 B12R2.466 Cc1ccsc1CNC2CC2 34a_100000238519_100000211595 [0,1,0,1,0,0|1,1,0]=4 12862 B12R2.466 Cc1ccsc1COC2CC2 34a_100000238368_100000211595 [0,1,0,1,0,0|1,1,0]=4 12863 B12R2.466 Cc1ccsc1SCC2CC2 62a_100000756562_100010247149 [0,1,0,1,0,0|1,1,0]=4 12864 B12R2.466 Cc1ccsc1SCC2CC2 62a_100010247149_100000742324 [0,1,0,1,0,0|1,1,0]=4 12865 B12R2.466 Cc1cnoc1COC2CC2 34a_200011065769_100000211595 [0,1,0,1,0,0|2,0,0]=4 12866 B12R2.466 Cc1ncoc1COC2CC2 34a_100000717716_100000211595 [0,1,0,1,0,0|2,0,0]=4 12867 B12R2.466 Clc1ccsc1CNC2CC2 34a_100011934584_100000211595 [0,1,0,1,0,0|1,1,0]=4 12868 B12R2.466 Clc1ccsc1COC2CC2 34a_100000722387_100000211595 [0,1,0,1,0,0|1,1,0]=4 12869 B12R2.466 Cn1cccc1CNC2CC2 34a_100011219357_100000211595 [0,1,0,1,0,0|2,0,0]=4 12870 B12R2.1114 Brc1ccsc1SC2CCC2 62a_100012361411_100000749161 [0,1,0,1,0,0|1,1,0]=4 12871 B12R2.1114 Cc1ccsc1SC2CCC2 62a_100010247149_100000749161 [0,1,0,1,0,0|1,1,0]=4