0 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.12 C#CCSc1cccs1 62a_100000038162_100011215356 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.12 C#CCSc1cnco1 62a_100000038162_100020591547 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.12 C#CCSc1ncco1 62a_100000038162_100011787736 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,0,0,0,0,0|1,1,2]=4 7 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,0,0,0,0,0|1,1,2]=4 8 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,0,0|0,1,0]=1 17 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,0,0,0,0,0|1,1,0]=2 23 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,0,0,0,0,0|1,1,0]=2 30 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.12 CCCSc1c[nH]nn1 62a_100000210303_100009819707 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.12 CCCSc1c[nH]nn1 62a_100009819707_100000210303 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,0,0,0,0,0|1,1,0]=2 44 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,0,0,0,0,0|1,1,0]=2 45 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.12 CCCSc1cn[nH]c1 62a_100000210303_100000238712 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.12 CCCSc1cn[nH]c1 62a_100000238712_100000210303 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,0,0,0,0,0|2,1,0]=3 58 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,0,0,0,0,0|2,1,0]=3 59 B9R1.12 CCCSc1cnoc1 62a_100000210303_100009815712 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.12 CCCSc1cnoc1 62a_100009815712_100000210303 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.12 CCCSc1cnsc1 62a_100000210303_100009815736 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.12 CCCSc1cnsc1 62a_100009815736_100000210303 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.12 CCCSc1nc[nH]n1 62a_100000210303_100000761765 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.12 CCCSc1nc[nH]n1 62a_100000761765_100000210303 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,0,0,0,0,0|2,1,0]=3 72 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,0,0,0,0,0|2,1,0]=3 73 B9R1.12 CCCSc1ncns1 62a_100000210303_100000693119 [0,0,0,0,0,0|3,1,0]=4 74 B9R1.12 CCCSc1ncns1 62a_100000693119_100000210303 [0,0,0,0,0,0|3,1,0]=4 75 B9R1.12 CCCSc1nncs1 62a_100000210303_100000739804 [0,0,0,0,0,0|3,1,0]=4 76 B9R1.12 CCCSc1nncs1 62a_100000739804_100000210303 [0,0,0,0,0,0|3,1,0]=4 77 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,0,0|1,0,0]=1 81 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,0,0|1,0,0]=1 82 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,0,0|1,0,0]=1 83 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,0,0|1,0,0]=1 84 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,0,0,0|1,1,0]=2 85 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,0,0,0|1,1,0]=2 86 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,0,0,0|1,1,0]=2 87 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.12 CCNCc1cn[nH]c1 207a_100015525214_100016992096 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.12 CCNCc1cn[nH]c1 270004a_100015525214_100016992096 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,0,0,0,0,0|2,0,0]=2 102 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,0,0,0,0,0|2,1,0]=3 103 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,0,0,0,0,0|2,1,0]=3 104 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,0,0,0,0,0|2,1,0]=3 105 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,0,0,0,0,0|2,1,0]=3 106 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,0,0,0,0,0|3,0,0]=3 108 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.12 CCNCc1csnn1 270004a_100015525214_100000738508 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,0,0,0,0,0|2,0,0]=2 115 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,0,0,0,0,0|2,0,0]=2 116 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,0,0,0,0,0|2,0,0]=2 117 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [0,0,0,0,0,0|2,1,0]=3 118 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [0,0,0,0,0,0|2,1,0]=3 119 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [0,0,0,0,0,0|2,1,0]=3 120 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [0,0,0,0,0,0|2,1,0]=3 121 B9R1.12 CCNCc1nnc[nH]1 2230a_200015183720_100000210202 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.12 CCNCn1cncn1 2230a_100015525214_200020645497 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,0,0,0,0,0|3,0,1]=4 124 B9R1.12 CCNN=C1CC=CC1 4a_100000756455_100000766571 [0,0,0,0,0,0|3,0,1]=4 125 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [0,0,0,0,0,0|2,0,2]=4 126 B9R1.12 CCOCN1CC=CC1 269982a_100015195280_100000739092 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,0,0,0|1,0,0]=1 129 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,0,0,0,0,0|1,1,0]=2 130 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,0,0,0,0,0|2,0,0]=2 132 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,0,0,0,0,0|3,0,0]=3 133 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,0,0,0,0,0|3,0,0]=3 134 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,0,0,0,0,0|3,0,0]=3 136 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,0,0,0,0,0|2,1,0]=3 137 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,0,0,0,0,0|3,0,0]=3 138 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,0,0,0,0,0|3,0,0]=3 139 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,0,0,0,0,0|2,0,0]=2 140 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,0,0,0,0,0|2,0,0]=2 141 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [0,0,0,0,0,0|2,1,0]=3 142 B9R1.12 CCOCc1ncon1 34a_100121572206_100000233494 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [0,0,0,0,0,0|3,0,0]=3 144 B9R1.12 CCOCn1cncn1 34a_100121572206_200020645497 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,0,0,0,0,0|3,0,0]=3 146 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,0,0,0,0,0|3,0,0]=3 149 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,0,0,0,0,0|3,0,0]=3 150 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,0,0,0,0,0|3,0,0]=3 152 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,0,0,0,0,0|3,0,0]=3 153 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,0,0,0,0,0|2,1,0]=3 154 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,0,0,0,0,0|2,1,0]=3 155 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,0,0,0,0,0|3,0,0]=3 156 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,0,0,0,0,0|3,0,0]=3 157 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,0,0,0,0,0|3,0,0]=3 159 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,0,0,0,0,0|2,0,0]=2 160 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,0,0,0,0,0|2,0,0]=2 161 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,0,0,0,0,0|2,1,0]=3 162 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,0,0,0,0,0|2,1,0]=3 163 B9R1.12 CCSCc1ncon1 62a_100000210202_100000233494 [0,0,0,0,0,0|4,0,0]=4 164 B9R1.12 CCSCc1ncon1 62a_100000233494_100000210202 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.12 CCSCn1cncn1 62a_100000210202_200020645497 [0,0,0,0,0,0|4,0,0]=4 166 B9R1.12 CCSCn1cncn1 62a_200020645497_100000210202 [0,0,0,0,0,0|4,0,0]=4 167 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,0,0,0,0,0|3,0,0]=3 168 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,0,0,0,0,0|3,0,0]=3 169 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,0,0|1,0,0]=1 170 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,0,0|1,0,0]=1 171 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,0,0,0|1,1,0]=2 172 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,0,0,0|1,1,0]=2 173 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,0,0,0|1,1,0]=2 174 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,0,0,0|1,1,0]=2 175 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,0,0,0|1,1,0]=2 176 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,0,0,0,0,0|3,0,0]=3 177 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,0,0,0,0,0|3,0,0]=3 178 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,0,0,0,0,0|4,0,0]=4 179 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,0,0,0,0,0|4,0,0]=4 180 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,0,0,0,0,0|4,0,0]=4 181 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,0,0,0,0,0|2,1,0]=3 182 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,0,0,0,0,0|2,1,0]=3 183 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,0,0,0,0,0|3,0,0]=3 184 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,0,0,0,0,0|3,0,0]=3 185 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,0,0,0,0,0|3,0,0]=3 186 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,0,0,0,0,0|3,0,0]=3 187 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,0,0,0,0,0|3,0,0]=3 188 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,0,0,0,0,0|3,0,0]=3 189 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,0,0,0,0,0|3,0,0]=3 190 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [0,0,0,0,0,0|4,0,0]=4 191 B9R1.12 CNCCn1cncn1 2230a_106832991635_100000731791 [0,0,0,0,0,0|4,0,0]=4 192 B9R1.12 CNCCn1cncn1 2230a_200000738561_200000210301 [0,0,0,0,0,0|4,0,0]=4 193 B9R1.12 CNCCn1cncn1 34a_100102657272_200000749826 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.12 CNCCn1cncn1 7a_106832991635_100000731791 [0,0,0,0,0,0|4,0,0]=4 195 B9R1.12 COCCN1CC=CC1 269982a_100015195280_100000233755 [0,0,0,0,0,0|3,0,1]=4 196 B9R1.12 COCC[n+]1ccsc1 34a_200000100414_200000210301 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,0,0,0|1,1,0]=2 198 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,0,0,0|1,1,0]=2 199 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,0,0,0|1,1,0]=2 200 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,0,0,0,0,0|3,0,0]=3 201 B9R1.12 COCCc1cn[nH]c1 34a_100000766553_200000210301 [0,0,0,0,0,0|4,0,0]=4 202 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [0,0,0,0,0,0|4,0,0]=4 203 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,0,0,0,0,0|3,0,0]=3 204 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,0,0,0,0,0|3,0,0]=3 205 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [0,0,0,0,0,0|3,0,0]=3 206 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [0,0,0,0,0,0|3,0,0]=3 207 B9R1.12 COCCn1ccnc1 34a_100000719764_200000210301 [0,0,0,0,0,0|4,0,0]=4 208 B9R1.12 COCCn1ccnn1 34a_100000080814_200000210301 [0,0,0,0,0,0|4,0,0]=4 209 B9R1.12 COCCn1cncn1 34a_100000745309_200000210301 [0,0,0,0,0,0|4,0,0]=4 210 B9R1.12 COCCn1cncn1 34a_100138415774_200000749826 [0,0,0,0,0,0|4,0,0]=4 211 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [0,0,0,0,0,0|4,0,0]=4 212 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [0,0,0,0,0,0|4,0,0]=4 213 B9R1.12 COCSc1cc[nH]n1 62a_100000062575_100000766300 [0,0,0,0,0,0|4,0,0]=4 214 B9R1.12 COCSc1cc[nH]n1 62a_100000766300_100000062575 [0,0,0,0,0,0|4,0,0]=4 215 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,0,0,0,0,0|2,0,0]=2 216 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,0,0,0,0,0|2,0,0]=2 217 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,0,0,0,0,0|2,1,0]=3 218 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,0,0,0,0,0|2,1,0]=3 219 B9R1.12 COCSc1ccoc1 62a_100000766300_100011215275 [0,0,0,0,0,0|4,0,0]=4 220 B9R1.12 COCSc1ccoc1 62a_100011215275_100000766300 [0,0,0,0,0,0|4,0,0]=4 221 B9R1.12 COCSc1ccon1 62a_100000766300_100009818083 [0,0,0,0,0,0|4,0,0]=4 222 B9R1.12 COCSc1ccon1 62a_100009818083_100000766300 [0,0,0,0,0,0|4,0,0]=4 223 B9R1.12 COCSc1ccsc1 62a_100000738268_100000766300 [0,0,0,0,0,0|4,0,0]=4 224 B9R1.12 COCSc1ccsc1 62a_100000766300_100000738268 [0,0,0,0,0,0|4,0,0]=4 225 B9R1.12 COCSc1ccsn1 62a_100000766300_100009818082 [0,0,0,0,0,0|4,0,0]=4 226 B9R1.12 COCSc1ccsn1 62a_100009818082_100000766300 [0,0,0,0,0,0|4,0,0]=4 227 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,0,0,0,0,0|3,0,0]=3 228 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,0,0,0,0,0|3,0,0]=3 229 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [0,0,0,0,0,0|3,1,0]=4 230 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [0,0,0,0,0,0|3,1,0]=4 231 B9R1.12 COCSc1cscn1 62a_100000751502_100000766300 [0,0,0,0,0,0|4,0,0]=4 232 B9R1.12 COCSc1cscn1 62a_100000766300_100000751502 [0,0,0,0,0,0|4,0,0]=4 233 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [0,0,0,0,0,0|4,0,0]=4 234 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [0,0,0,0,0,0|4,0,0]=4 235 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [0,0,0,0,0,0|3,0,0]=3 236 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [0,0,0,0,0,0|3,0,0]=3 237 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [0,0,0,0,0,0|3,1,0]=4 238 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [0,0,0,0,0,0|3,1,0]=4 239 B9R1.12 CSCCN1CC=CC1 269982a_100015195280_100000212216 [0,0,0,0,0,0|3,0,1]=4 240 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,0,0,0,0,0|3,0,0]=3 241 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,0,0,0|1,1,0]=2 243 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,0,0,0|1,1,0]=2 244 B9R1.12 CSCCc1cn[nH]c1 62a_100000743252_200000210301 [0,0,0,0,0,0|4,0,0]=4 245 B9R1.12 CSCCc1cn[nH]c1 62a_200000210301_100000743252 [0,0,0,0,0,0|4,0,0]=4 246 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,0,0,0,0,0|3,0,0]=3 247 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,0,0,0,0,0|3,0,0]=3 248 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,0,0,0,0,0|3,0,0]=3 249 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,0,0,0,0,0|3,0,0]=3 250 B9R1.12 CSCCn1ccnc1 62a_100000702546_200000210301 [0,0,0,0,0,0|4,0,0]=4 251 B9R1.12 CSCCn1ccnc1 62a_200000210301_100000702546 [0,0,0,0,0,0|4,0,0]=4 252 B9R1.12 CSCCn1cncn1 62a_100000731791_200000210301 [0,0,0,0,0,0|4,0,0]=4 253 B9R1.12 CSCCn1cncn1 62a_200000210301_100000731791 [0,0,0,0,0,0|4,0,0]=4 254 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,0,0,0,0,0|4,0,0]=4 255 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [0,0,0,0,0,0|4,0,0]=4 256 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [0,0,0,0,0,0|4,0,0]=4 257 B9R1.12 CSCSc1cc[nH]n1 62a_100000062575_100011218213 [0,0,0,0,0,0|4,0,0]=4 258 B9R1.12 CSCSc1cc[nH]n1 62a_100011218213_100000062575 [0,0,0,0,0,0|4,0,0]=4 259 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,0,0,0,0,0|2,0,0]=2 260 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,0,0,0,0,0|2,0,0]=2 261 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,0,0,0,0,0|2,1,0]=3 262 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,0,0,0,0,0|2,1,0]=3 263 B9R1.12 CSCSc1ccoc1 62a_100011215275_100011218213 [0,0,0,0,0,0|4,0,0]=4 264 B9R1.12 CSCSc1ccoc1 62a_100011218213_100011215275 [0,0,0,0,0,0|4,0,0]=4 265 B9R1.12 CSCSc1ccon1 62a_100009818083_100011218213 [0,0,0,0,0,0|4,0,0]=4 266 B9R1.12 CSCSc1ccon1 62a_100011218213_100009818083 [0,0,0,0,0,0|4,0,0]=4 267 B9R1.12 CSCSc1ccsc1 62a_100000738268_100011218213 [0,0,0,0,0,0|4,0,0]=4 268 B9R1.12 CSCSc1ccsc1 62a_100011218213_100000738268 [0,0,0,0,0,0|4,0,0]=4 269 B9R1.12 CSCSc1ccsn1 62a_100009818082_100011218213 [0,0,0,0,0,0|4,0,0]=4 270 B9R1.12 CSCSc1ccsn1 62a_100011218213_100009818082 [0,0,0,0,0,0|4,0,0]=4 271 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [0,0,0,0,0,0|3,0,0]=3 272 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [0,0,0,0,0,0|3,0,0]=3 273 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [0,0,0,0,0,0|3,1,0]=4 274 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [0,0,0,0,0,0|3,1,0]=4 275 B9R1.12 CSCSc1cscn1 62a_100000751502_100011218213 [0,0,0,0,0,0|4,0,0]=4 276 B9R1.12 CSCSc1cscn1 62a_100011218213_100000751502 [0,0,0,0,0,0|4,0,0]=4 277 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [0,0,0,0,0,0|4,0,0]=4 278 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [0,0,0,0,0,0|4,0,0]=4 279 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [0,0,0,0,0,0|3,0,0]=3 280 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [0,0,0,0,0,0|3,0,0]=3 281 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [0,0,0,0,0,0|3,1,0]=4 282 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [0,0,0,0,0,0|3,1,0]=4 283 B9R1.12 FCCCN1CC=CC1 269982a_100015195280_100011934791 [0,0,0,0,0,0|3,0,1]=4 284 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,0,0,0,0,0|4,0,0]=4 285 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,0,0,0,0,0|4,0,0]=4 286 B9R1.12 FCCSc1c[nH]cn1 62a_100000756875_100011217306 [0,0,0,0,0,0|4,0,0]=4 287 B9R1.12 FCCSc1c[nH]cn1 62a_100011217306_100000756875 [0,0,0,0,0,0|4,0,0]=4 288 B9R1.12 FCCSc1cc[nH]n1 62a_100000062575_100011217306 [0,0,0,0,0,0|4,0,0]=4 289 B9R1.12 FCCSc1cc[nH]n1 62a_100011217306_100000062575 [0,0,0,0,0,0|4,0,0]=4 290 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,0,0,0,0,0|2,0,0]=2 291 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,0,0,0,0,0|2,0,0]=2 292 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,0,0,0,0,0|2,1,0]=3 293 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,0,0,0,0,0|2,1,0]=3 294 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,0,0,0,0,0|4,0,0]=4 295 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,0,0,0,0,0|4,0,0]=4 296 B9R1.12 FCCSc1ccon1 62a_100009818083_100011217306 [0,0,0,0,0,0|4,0,0]=4 297 B9R1.12 FCCSc1ccon1 62a_100011217306_100009818083 [0,0,0,0,0,0|4,0,0]=4 298 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,0,0,0,0,0|4,0,0]=4 299 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,0,0,0,0,0|4,0,0]=4 300 B9R1.12 FCCSc1ccsn1 62a_100009818082_100011217306 [0,0,0,0,0,0|4,0,0]=4 301 B9R1.12 FCCSc1ccsn1 62a_100011217306_100009818082 [0,0,0,0,0,0|4,0,0]=4 302 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,0,0,0,0,0|3,0,0]=3 303 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,0,0,0,0,0|3,0,0]=3 304 B9R1.12 FCCSc1cncs1 62a_100011217306_100011934649 [0,0,0,0,0,0|3,1,0]=4 305 B9R1.12 FCCSc1cncs1 62a_100011934649_100011217306 [0,0,0,0,0,0|3,1,0]=4 306 B9R1.12 FCCSc1cscn1 62a_100000751502_100011217306 [0,0,0,0,0,0|4,0,0]=4 307 B9R1.12 FCCSc1cscn1 62a_100011217306_100000751502 [0,0,0,0,0,0|4,0,0]=4 308 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [0,0,0,0,0,0|4,0,0]=4 309 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [0,0,0,0,0,0|4,0,0]=4 310 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [0,0,0,0,0,0|3,0,0]=3 311 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [0,0,0,0,0,0|3,0,0]=3 312 B9R1.12 FCCSc1nccs1 62a_100000211983_100011217306 [0,0,0,0,0,0|3,1,0]=4 313 B9R1.12 FCCSc1nccs1 62a_100011217306_100000211983 [0,0,0,0,0,0|3,1,0]=4 314 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,0,0,0,0,0|2,0,0]=2 315 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,0,0,0,0,0|4,0,0]=4 316 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,0,0,0,0,0|4,0,0]=4 317 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,0,0,0,0,0|2,0,0]=2 318 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,0,0,0,0,0|2,1,0]=3 319 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,0,0,0,0,0|3,0,0]=3 320 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,0,0,0,0,0|4,0,0]=4 321 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,0,0,0,0,0|4,0,0]=4 322 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,0,0,0,0,0|3,0,0]=3 323 B9R1.12 FCOCn1cccn1 34a_100000731028_100015361967 [0,0,0,0,0,0|4,0,0]=4 324 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,0,0,0,0,0|4,0,0]=4 325 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,0,0,0,0,0|4,0,0]=4 326 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,0,0,0,0,0|4,0,0]=4 327 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,0,0,0,0,0|4,0,0]=4 328 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,0,0,0,0,0|4,0,0]=4 329 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,0,0,0,0,0|4,0,0]=4 330 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,0,0,0,0,0|4,0,0]=4 331 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,0,0,0,0,0|4,0,0]=4 332 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,0,0,0,0,0|3,1,0]=4 333 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,0,0,0,0,0|3,1,0]=4 334 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,0,0,0,0,0|4,0,0]=4 335 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,0,0,0,0,0|4,0,0]=4 336 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,0,0,0,0,0|4,0,0]=4 337 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,0,0,0,0,0|4,0,0]=4 338 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,0,0,0,0,0|3,0,0]=3 339 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,0,0,0,0,0|3,0,0]=3 340 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,0,0,0,0,0|3,1,0]=4 341 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,0,0,0,0,0|3,1,0]=4 342 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,0,0,0,0,0|2,0,1]=3 343 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,0,0,0,0,0|2,0,1]=3 344 B9R1.12 N#CCSc1cccs1 62a_100011215356_100011215382 [0,0,0,0,0,0|2,1,1]=4 345 B9R1.12 N#CCSc1cccs1 62a_100011215382_100011215356 [0,0,0,0,0,0|2,1,1]=4 346 B9R1.12 N#CCSc1cnco1 62a_100011215382_100020591547 [0,0,0,0,0,0|3,0,1]=4 347 B9R1.12 N#CCSc1cnco1 62a_100020591547_100011215382 [0,0,0,0,0,0|3,0,1]=4 348 B9R1.12 N#CCSc1ncco1 62a_100011215382_100011787736 [0,0,0,0,0,0|3,0,1]=4 349 B9R1.12 N#CCSc1ncco1 62a_100011787736_100011215382 [0,0,0,0,0,0|3,0,1]=4 350 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,0,0|2,0,1]=3 351 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,0,0|2,0,1]=3 352 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,0,0,0,0,0|2,1,1]=4 353 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,0,0,0,0,0|2,1,1]=4 354 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,0,0,0,0,0|3,0,1]=4 355 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,0,0,0,0,0|3,0,1]=4 356 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,0,0,0,0,0|3,0,1]=4 357 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,0,0,0,0,0|3,0,1]=4 358 B9R1.12 OCCCN1CC=CC1 269982a_100015195280_100011215043 [0,0,0,0,0,0|3,0,1]=4 359 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,0,0,0,0,0|4,0,0]=4 360 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,0,0,0,0,0|4,0,0]=4 361 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,0,0,0,0,0|4,0,0]=4 362 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,0,0,0,0,0|4,0,0]=4 363 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,0,0,0,0,0|4,0,0]=4 364 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,0,0,0,0,0|4,0,0]=4 365 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,0,0,0,0,0|2,0,0]=2 366 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,0,0,0,0,0|2,0,0]=2 367 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,0,0,0,0,0|2,1,0]=3 368 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,0,0,0,0,0|2,1,0]=3 369 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,0,0,0,0,0|4,0,0]=4 370 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,0,0,0,0,0|4,0,0]=4 371 B9R1.12 OCCSc1ccon1 62a_100000211926_100009818083 [0,0,0,0,0,0|4,0,0]=4 372 B9R1.12 OCCSc1ccon1 62a_100009818083_100000211926 [0,0,0,0,0,0|4,0,0]=4 373 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,0,0,0,0,0|4,0,0]=4 374 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,0,0,0,0,0|4,0,0]=4 375 B9R1.12 OCCSc1ccsn1 62a_100000211926_100009818082 [0,0,0,0,0,0|4,0,0]=4 376 B9R1.12 OCCSc1ccsn1 62a_100009818082_100000211926 [0,0,0,0,0,0|4,0,0]=4 377 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,0,0,0,0,0|3,0,0]=3 378 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,0,0,0,0,0|3,0,0]=3 379 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,0,0,0,0,0|3,1,0]=4 380 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,0,0,0,0,0|3,1,0]=4 381 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [0,0,0,0,0,0|4,0,0]=4 382 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [0,0,0,0,0,0|4,0,0]=4 383 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,0,0,0,0,0|4,0,0]=4 384 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,0,0,0,0,0|4,0,0]=4 385 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,0,0,0,0,0|3,0,0]=3 386 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,0,0,0,0,0|3,0,0]=3 387 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [0,0,0,0,0,0|3,1,0]=4 388 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [0,0,0,0,0,0|3,1,0]=4 389 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,0,0|1,0,0]=1 390 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,0,0|1,0,0]=1 391 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,0,0,0|1,1,0]=2 392 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,0,0,0|1,1,0]=2 393 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,0,0,0,0,0|3,0,0]=3 394 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,0,0,0,0,0|3,0,0]=3 395 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,0,0,0,0,0|4,0,0]=4 396 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,0,0,0,0,0|2,1,0]=3 397 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,0,0,0,0,0|2,1,0]=3 398 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,0,0,0,0,0|3,0,0]=3 399 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,0,0,0,0,0|3,0,0]=3 400 B9R1.12 [13CH3]NCCn1cncn1 2230a_200000738561_200025704644 [0,0,0,0,0,0|4,0,0]=4 401 B9R1.12 [13CH3]OCC[n+]1ccsc1 34a_200000100414_200025704644 [0,0,0,0,0,0|4,0,0]=4 402 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,0,0,0|1,1,0]=2 403 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,0,0,0|1,1,0]=2 404 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,0,0,0,0,0|3,0,0]=3 405 B9R1.12 [13CH3]OCCc1cn[nH]c1 34a_100000766553_200025704644 [0,0,0,0,0,0|4,0,0]=4 406 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [0,0,0,0,0,0|4,0,0]=4 407 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,0,0,0,0,0|3,0,0]=3 408 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,0,0,0,0,0|3,0,0]=3 409 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [0,0,0,0,0,0|3,0,0]=3 410 B9R1.12 [13CH3]OCCn1ccnc1 34a_100000719764_200025704644 [0,0,0,0,0,0|4,0,0]=4 411 B9R1.12 [13CH3]OCCn1ccnn1 34a_100000080814_200025704644 [0,0,0,0,0,0|4,0,0]=4 412 B9R1.12 [13CH3]OCCn1cncn1 34a_100000745309_200025704644 [0,0,0,0,0,0|4,0,0]=4 413 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,0,0,0,0,0|3,0,0]=3 414 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,0,0,0,0,0|3,0,0]=3 415 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,0,0,0|1,1,0]=2 416 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,0,0,0|1,1,0]=2 417 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_100000743252_200025704644 [0,0,0,0,0,0|4,0,0]=4 418 B9R1.12 [13CH3]SCCc1cn[nH]c1 62a_200025704644_100000743252 [0,0,0,0,0,0|4,0,0]=4 419 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,0,0,0,0,0|3,0,0]=3 420 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,0,0,0,0,0|3,0,0]=3 421 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,0,0,0,0,0|3,0,0]=3 422 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,0,0,0,0,0|3,0,0]=3 423 B9R1.12 [13CH3]SCCn1ccnc1 62a_100000702546_200025704644 [0,0,0,0,0,0|4,0,0]=4 424 B9R1.12 [13CH3]SCCn1ccnc1 62a_200025704644_100000702546 [0,0,0,0,0,0|4,0,0]=4 425 B9R1.12 [13CH3]SCCn1cncn1 62a_100000731791_200025704644 [0,0,0,0,0,0|4,0,0]=4 426 B9R1.12 [13CH3]SCCn1cncn1 62a_200025704644_100000731791 [0,0,0,0,0,0|4,0,0]=4 427 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|0,0,3]=4 428 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|0,0,2]=3 429 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|0,1,2]=4 430 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|1,0,2]=4 431 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|1,0,2]=4 432 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,0,0,0|2,0,1]=4 433 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,0,0|3,0,0]=4 434 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,0,0|3,0,0]=4 435 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,0,0|3,0,0]=4 436 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,0,0|3,0,0]=4 437 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,0,0|3,0,0]=4 438 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,0,0|3,0,0]=4 439 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|1,0,0]=2 440 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|1,0,0]=2 441 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|1,1,0]=3 442 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|1,1,0]=3 443 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,0,0|3,0,0]=4 444 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,0,0|3,0,0]=4 445 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,0,0|3,0,0]=4 446 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,0,0|3,0,0]=4 447 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,0,0|3,0,0]=4 448 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,0,0|3,0,0]=4 449 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,0,0|3,0,0]=4 450 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,0,0|3,0,0]=4 451 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|2,0,0]=3 452 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|2,0,0]=3 453 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [1,0,0,0,0,0|2,1,0]=4 454 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [1,0,0,0,0,0|2,1,0]=4 455 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,0,0|3,0,0]=4 456 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,0,0|3,0,0]=4 457 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,0,0|3,0,0]=4 458 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,0,0|3,0,0]=4 459 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|2,0,0]=3 460 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|2,0,0]=3 461 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,0,0|2,1,0]=4 462 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,0,0|2,1,0]=4 463 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [1,0,0,0,0,0|3,0,0]=4 464 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [1,0,0,0,0,0|3,0,0]=4 465 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [1,0,0,0,0,0|3,0,0]=4 466 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [1,0,0,0,0,0|3,0,0]=4 467 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|1,0,0]=2 468 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|1,0,0]=2 469 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|1,0,0]=2 470 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|1,0,0]=2 471 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|1,1,0]=3 472 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|1,1,0]=3 473 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|1,1,0]=3 474 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [1,0,0,0,0,0|3,0,0]=4 475 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [1,0,0,0,0,0|3,0,0]=4 476 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [1,0,0,0,0,0|3,0,0]=4 477 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,0,0|3,0,0]=4 478 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,0,0|3,0,0]=4 480 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 482 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,0,0,0|3,0,0]=4 483 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 484 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,0,0|3,0,0]=4 485 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,0,0|3,0,0]=4 486 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,0,0|3,0,0]=4 487 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,0,0|3,0,0]=4 488 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,0,0|3,0,0]=4 489 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,0,0|3,0,0]=4 490 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,0,0|3,0,0]=4 491 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,0,0,0,0,0|3,0,0]=4 492 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,0,0|2,0,0]=3 493 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [1,0,0,0,0,0|2,1,0]=4 494 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [1,0,0,0,0,0|2,1,0]=4 495 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [1,0,0,0,0,0|2,1,0]=4 496 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [1,0,0,0,0,0|2,1,0]=4 497 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [1,0,0,0,0,0|2,1,0]=4 498 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [1,0,0,0,0,0|2,1,0]=4 499 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [1,0,0,0,0,0|3,0,0]=4 500 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,0,0,0,0,0|3,0,0]=4 501 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,0,0,0,0,0|3,0,0]=4 502 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 503 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,0,0,0,0,0|3,0,0]=4 504 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,0,0,0,0,0|3,0,0]=4 505 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 506 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,0,0|3,0,0]=4 507 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,0,0|3,0,0]=4 508 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,0,0|3,0,0]=4 509 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,0,0|3,0,0]=4 510 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|2,0,0]=3 511 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|2,0,0]=3 512 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|2,0,0]=3 513 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|2,0,0]=3 514 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|2,0,0]=3 515 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,0,0|2,1,0]=4 516 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,0,0|2,1,0]=4 517 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,0,0|2,1,0]=4 518 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,0,0|2,1,0]=4 519 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,0,0|2,1,0]=4 520 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,0,0|2,1,0]=4 521 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,0,0|3,0,0]=4 522 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|1,0,0]=2 523 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|1,1,0]=3 524 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,0,0,0,0,0|3,0,0]=4 525 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,0,0,0,0,0|2,0,0]=3 526 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,0,0|3,0,0]=4 528 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,0,0|3,0,0]=4 529 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,0,0|3,0,0]=4 530 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,0,0,0,0,0|2,1,0]=4 531 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,0,0|3,0,0]=4 532 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,0,0|3,0,0]=4 533 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|2,0,0]=3 534 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|2,0,0]=3 535 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,0,0|2,1,0]=4 536 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,0,0|3,0,0]=4 537 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,0,0|3,0,0]=4 538 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,0,0|3,0,0]=4 539 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,0,0,0,0,0|3,0,0]=4 540 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,0,0,0,0,0|3,0,0]=4 541 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,0,0|3,0,0]=4 542 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,0,0|3,0,0]=4 543 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,0,0|3,0,0]=4 544 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,0,0|3,0,0]=4 545 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|2,1,0]=4 546 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|2,1,0]=4 547 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,0,0|3,0,0]=4 548 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,0,0|3,0,0]=4 549 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|3,0,0]=4 550 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|3,0,0]=4 551 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|2,0,0]=3 553 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|2,1,0]=4 554 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|2,1,0]=4 555 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|2,0,0]=3 556 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|2,0,0]=3 557 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|2,1,0]=4 558 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|2,1,0]=4 559 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [1,0,0,0,0,0|3,0,0]=4 560 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [1,0,0,0,0,0|3,0,0]=4 561 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,0,0,0,0,0|3,0,0]=4 562 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,0,0,0,0,0|3,0,0]=4 563 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|1,0,0]=2 564 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|1,0,0]=2 565 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|1,1,0]=3 566 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,0,0|3,0,0]=4 567 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,0,0|3,0,0]=4 568 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,0,0|3,0,0]=4 569 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,0,0|3,0,0]=4 570 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [1,0,0,0,0,0|2,1,0]=4 571 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,0,0,0,0,0|3,0,0]=4 572 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|2,0,0]=3 573 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,0,0|2,1,0]=4 574 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|1,0,0]=2 575 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|1,1,0]=3 576 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,0,0,0,0,0|2,0,0]=3 577 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,0,0|3,0,0]=4 578 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,0,0|3,0,0]=4 579 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|2,0,0]=3 580 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,0,0|3,0,0]=4 581 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,0,0|3,0,0]=4 582 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,0,0|3,0,0]=4 583 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,0,0,0,0,0|3,0,0]=4 584 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,0,0,0,0,0|3,0,0]=4 585 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,0,0|3,0,0]=4 586 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,0,0|3,0,0]=4 587 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,0,0|3,0,0]=4 588 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,0,0|3,0,0]=4 589 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|2,1,0]=4 590 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|2,1,0]=4 591 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,0,0|3,0,0]=4 592 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,0,0|3,0,0]=4 593 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|3,0,0]=4 594 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|3,0,0]=4 595 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|2,0,0]=3 596 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|2,0,0]=3 597 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|2,1,0]=4 598 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|2,1,0]=4 599 B10R1.11 CC(CO[13CH3])n1cccn1 34a_100011935049_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.11 CCCC(C)N1CC=CC1 269982a_100015195280_100000766640 [0,1,0,0,0,0|2,0,1]=4 601 B10R1.11 CCNC(C)c1cc[nH]c1 269862a_100015525214_100000753940 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,1,0,0,0,0|2,0,0]=3 603 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,1,0,0,0,0|1,1,0]=3 604 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,1,0,0,0,0|1,1,0]=3 605 B10R1.11 CCNC(C)c1ccn[nH]1 269862a_100015525214_100000747476 [0,1,0,0,0,0|3,0,0]=4 606 B10R1.11 CCNC(C)c1ccoc1 2230a_100000690049_100000210202 [0,1,0,0,0,0|3,0,0]=4 607 B10R1.11 CCNC(C)c1ccsc1 2230a_100000748604_100000210202 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.11 CCNC(C)c1ccsc1 269862a_100015525214_100000747891 [0,1,0,0,0,0|3,0,0]=4 609 B10R1.11 CCNC(C)c1cscn1 269862a_100015525214_100000693406 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.11 CCNC(C)c1ncc[nH]1 269862a_100015525214_100000718901 [0,1,0,0,0,0|3,0,0]=4 611 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [0,1,0,0,0,0|2,1,0]=4 612 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,1,0,0,0,0|1,0,0]=2 613 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [0,1,0,0,0,0|3,0,0]=4 614 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [0,1,0,0,0,0|3,0,0]=4 615 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [0,1,0,0,0,0|2,1,0]=4 616 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,1,0,0,0,0|1,0,0]=2 617 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,1,0,0,0,0|1,0,0]=2 618 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,1,0,0,0,0|1,1,0]=3 619 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,1,0,0,0,0|2,0,1]=4 620 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,0,0|1,0,1]=3 621 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,1,0,0,0,0|1,1,1]=4 622 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,1,0,0,0,0|1,1,1]=4 623 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,0,0|1,0,0]=2 624 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B10R1.11 COCC(C)n1cccn1 34a_100011935049_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,1,0,0,0,0|1,1,0]=3 628 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,1,0,0,0,0|2,0,1]=4 629 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,0,0|1,0,1]=3 631 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,0,0|1,0,1]=3 632 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,1,0,0,0,0|1,1,1]=4 633 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,1,0,0,0,0|1,1,1]=4 634 B10R1.11 C[C@@H](OCF)c1cccs1 7a_100000750433_100015361967 [0,1,0,0,0,0|2,1,0]=4 635 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,1,0,0,0,0|2,0,0]=3 636 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,1,0,0,0,0|2,0,0]=3 637 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,0,0|1,0,0]=2 638 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,1,0,0,0,0|1,1,0]=3 641 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,1,0,0,0,0|2,0,1]=4 642 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,1,0,0,0,0|2,0,1]=4 643 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,0,0|1,0,1]=3 644 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,0,0|1,0,1]=3 645 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,1,0,0,0,0|1,1,1]=4 646 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,1,0,0,0,0|1,1,1]=4 647 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [0,1,0,0,0,0|2,0,0]=3 648 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [0,1,0,0,0,0|2,0,0]=3 649 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [0,1,0,0,0,0|2,0,0]=3 650 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,1,0,0,0,0|0,1,0]=2 651 B10R1.16 CCCCc1cc(n[nH]1)Br 271570a_100020621405_100160470719 [0,1,0,0,0,0|2,0,0]=3 652 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,1,0,0,0,0|1,1,0]=3 653 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,0,0,0|0,1,0]=2 654 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,0,0,0|0,1,0]=2 655 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [0,1,0,0,0,0|2,0,0]=3 656 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [0,1,0,0,0,0|2,0,0]=3 657 B10R1.16 CCCCc1cn(nn1)C 271570a_100020621405_100000760339 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.16 CCCCc1cn(nn1)C 274090a_200000210301_100000039217 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.16 CCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000039217 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,1,0,0,0,0|1,1,0]=3 661 B10R1.16 CCCCc1cnn(c1)C 271570a_100020621405_100000748075 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.16 CCCCc1cnn(n1)C 271570a_100020621405_100000733932 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,1,0,0,0,0|2,0,0]=3 664 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [0,1,0,0,0,0|2,0,0]=3 666 B10R1.16 CCCCc1n[nH]c(n1)C 271570a_100020621405_100000732540 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.16 CCCCc1n[nH]c(n1)N 271570a_100020621405_100015184587 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [0,1,0,0,0,0|2,0,0]=3 669 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [0,1,0,0,0,0|1,1,0]=3 670 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,1,0,0,0,0|1,1,0]=3 671 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [0,1,0,0,0,0|1,1,0]=3 672 B10R1.16 CCCCc1nc(no1)C 270196a_100000212224_100000210183 [0,1,0,0,0,0|2,0,0]=3 673 B10R1.16 CCCCc1nc(ns1)C 271570a_100020621405_100000709739 [0,1,0,0,0,0|2,1,0]=4 674 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,1,0,0,0,0|1,1,0]=3 675 B10R1.16 CCCCc1ncn(n1)C 271570a_100020621405_100009819955 [0,1,0,0,0,0|3,0,0]=4 676 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [0,1,0,0,0,0|2,0,0]=3 677 B10R1.16 CCCCc1nnc(s1)C 271570a_100020621405_100000686958 [0,1,0,0,0,0|2,1,0]=4 678 B10R1.16 CCCCc1nnc(s1)N 271570a_100020621405_100000738278 [0,1,0,0,0,0|2,1,0]=4 679 B10R1.16 CCCCc1noc(n1)C 270196a_100011193411_100000070787 [0,1,0,0,0,0|3,0,0]=4 680 B10R1.16 CCCCc1noc(n1)C 271570a_100020621405_100012003639 [0,1,0,0,0,0|3,0,0]=4 681 B10R1.16 CCCCc1noc(n1)O 270196a_100011193411_100015183105 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.16 CCCCn1cc(cn1)O 271570a_203496583355_200011400202 [0,1,0,0,0,0|2,0,0]=3 683 B10R1.16 CCCCn1cc(nn1)C 274090a_100000210209_200000242740 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.16 CCCOc1ccn(n1)C 34a_100012642153_100000210303 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.16 CCCSc1c[nH]c(n1)C 62a_100000210303_100009814057 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.16 CCCSc1c[nH]c(n1)C 62a_100009814057_100000210303 [0,1,0,0,0,0|3,0,0]=4 687 B10R1.16 CCCSc1cc([nH]n1)C 62a_100000210303_100009819999 [0,1,0,0,0,0|3,0,0]=4 688 B10R1.16 CCCSc1cc([nH]n1)C 62a_100009819999_100000210303 [0,1,0,0,0,0|3,0,0]=4 689 B10R1.16 CCCSc1cc([nH]n1)N 62a_100000210303_100009822546 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.16 CCCSc1cc([nH]n1)N 62a_100009822546_100000210303 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [0,1,0,0,0,0|1,1,0]=3 692 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [0,1,0,0,0,0|1,1,0]=3 693 B10R1.16 CCCSc1cc(n[nH]1)Br 62a_100000210303_100160470719 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.16 CCCSc1cc(n[nH]1)Br 62a_100160470719_100000210303 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.16 CCCSc1cc(ns1)C 62a_100000210303_100009815735 [0,1,0,0,0,0|2,1,0]=4 696 B10R1.16 CCCSc1cc(ns1)C 62a_100009815735_100000210303 [0,1,0,0,0,0|2,1,0]=4 697 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [0,1,0,0,0,0|3,0,0]=4 698 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [0,1,0,0,0,0|3,0,0]=4 699 B10R1.16 CCCSc1ccc(s1)Br 62a_100000210303_100010197418 [0,1,0,0,0,0|1,1,0]=3 700 B10R1.16 CCCSc1ccc(s1)Br 62a_100010197418_100000210303 [0,1,0,0,0,0|1,1,0]=3 701 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,1,0,0,0,0|1,1,0]=3 702 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,1,0,0,0,0|1,1,0]=3 703 B10R1.16 CCCSc1ccn(n1)C 62a_100000210303_100000752436 [0,1,0,0,0,0|3,0,0]=4 704 B10R1.16 CCCSc1ccn(n1)C 62a_100000752436_100000210303 [0,1,0,0,0,0|3,0,0]=4 705 B10R1.16 CCCSc1cn(cn1)C 62a_100000040308_100000210303 [0,1,0,0,0,0|3,0,0]=4 706 B10R1.16 CCCSc1cn(cn1)C 62a_100000210303_100000040308 [0,1,0,0,0,0|3,0,0]=4 707 B10R1.16 CCCSc1cnc(s1)Br 62a_100000210303_100012357534 [0,1,0,0,0,0|2,1,0]=4 708 B10R1.16 CCCSc1cnc(s1)Br 62a_100012357534_100000210303 [0,1,0,0,0,0|2,1,0]=4 709 B10R1.16 CCCSc1cnc(s1)C 62a_100000210303_100000764884 [0,1,0,0,0,0|2,1,0]=4 710 B10R1.16 CCCSc1cnc(s1)C 62a_100000764884_100000210303 [0,1,0,0,0,0|2,1,0]=4 711 B10R1.16 CCCSc1cnc(s1)N 62a_100000210303_100000718969 [0,1,0,0,0,0|2,1,0]=4 712 B10R1.16 CCCSc1cnc(s1)N 62a_100000718969_100000210303 [0,1,0,0,0,0|2,1,0]=4 713 B10R1.16 CCCSc1csc(c1)C 62a_100000210303_100000759034 [0,1,0,0,0,0|3,0,0]=4 714 B10R1.16 CCCSc1csc(c1)C 62a_100000759034_100000210303 [0,1,0,0,0,0|3,0,0]=4 715 B10R1.16 CCCSc1csc(n1)C 62a_100000210303_100011934587 [0,1,0,0,0,0|3,0,0]=4 716 B10R1.16 CCCSc1csc(n1)C 62a_100011934587_100000210303 [0,1,0,0,0,0|3,0,0]=4 717 B10R1.16 CCCSc1csc(n1)N 62a_100000210303_100011998049 [0,1,0,0,0,0|3,0,0]=4 718 B10R1.16 CCCSc1csc(n1)N 62a_100011998049_100000210303 [0,1,0,0,0,0|3,0,0]=4 719 B10R1.16 CCCSc1nc(c[nH]1)C 62a_100000210303_100161115468 [0,1,0,0,0,0|3,0,0]=4 720 B10R1.16 CCCSc1nc(c[nH]1)C 62a_100161115468_100000210303 [0,1,0,0,0,0|3,0,0]=4 721 B10R1.16 CCCSc1nc(cs1)Br 62a_100000210303_200016082925 [0,1,0,0,0,0|2,1,0]=4 722 B10R1.16 CCCSc1nc(cs1)Br 62a_200016082925_100000210303 [0,1,0,0,0,0|2,1,0]=4 723 B10R1.16 CCCSc1nc(cs1)C 62a_100000210303_100011291629 [0,1,0,0,0,0|2,1,0]=4 724 B10R1.16 CCCSc1nc(cs1)C 62a_100011291629_100000210303 [0,1,0,0,0,0|2,1,0]=4 725 B10R1.16 CCCSc1nc(cs1)N 62a_100000210303_200015188442 [0,1,0,0,0,0|2,1,0]=4 726 B10R1.16 CCCSc1nc(cs1)N 62a_200015188442_100000210303 [0,1,0,0,0,0|2,1,0]=4 727 B10R1.16 CCCSc1ncc(s1)C 62a_100000210303_100000690809 [0,1,0,0,0,0|2,1,0]=4 728 B10R1.16 CCCSc1ncc(s1)C 62a_100000690809_100000210303 [0,1,0,0,0,0|2,1,0]=4 729 B10R1.16 CCCSc1nnc(o1)C 62a_100000210303_100000708914 [0,1,0,0,0,0|3,0,0]=4 730 B10R1.16 CCNCc1c[nH]c(n1)C 207a_100015525214_100011219055 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [0,1,0,0,0,0|2,0,0]=3 732 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [0,1,0,0,0,0|1,0,0]=2 733 B10R1.16 CCNCc1cc(cs1)Br 207a_100015525214_100000211722 [0,1,0,0,0,0|1,1,0]=3 734 B10R1.16 CCNCc1cc(cs1)Br 2230a_100000741024_100000210202 [0,1,0,0,0,0|1,1,0]=3 735 B10R1.16 CCNCc1cc(cs1)Br 2230a_100015525214_100000746031 [0,1,0,0,0,0|1,1,0]=3 736 B10R1.16 CCNCc1cc(cs1)Br 270004a_100015525214_100000211722 [0,1,0,0,0,0|1,1,0]=3 737 B10R1.16 CCNCc1cc(cs1)Br 34a_100000741024_100000210202 [0,1,0,0,0,0|1,1,0]=3 738 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [0,1,0,0,0,0|1,1,0]=3 739 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [0,1,0,0,0,0|1,1,0]=3 740 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [0,1,0,0,0,0|1,1,0]=3 741 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [0,1,0,0,0,0|1,1,0]=3 742 B10R1.16 CCNCc1cc(cs1)Cl 207a_100015525214_100000102487 [0,1,0,0,0,0|1,1,0]=3 743 B10R1.16 CCNCc1cc(cs1)Cl 270004a_100015525214_100000102487 [0,1,0,0,0,0|1,1,0]=3 744 B10R1.16 CCNCc1cc(cs1)I 207a_100015525214_100010179861 [0,1,0,0,0,0|1,1,0]=3 745 B10R1.16 CCNCc1cc(n[nH]1)C 207a_100015525214_100000028150 [0,1,0,0,0,0|3,0,0]=4 746 B10R1.16 CCNCc1cc(n[nH]1)C 270004a_100015525214_100000028150 [0,1,0,0,0,0|3,0,0]=4 747 B10R1.16 CCNCc1cc(no1)Br 2230a_100015193020_100000210202 [0,1,0,0,0,0|2,0,0]=3 748 B10R1.16 CCNCc1cc(no1)Br 270004a_100015525214_100009819588 [0,1,0,0,0,0|2,0,0]=3 749 B10R1.16 CCNCc1cc(no1)Br 34a_100015193020_100000210202 [0,1,0,0,0,0|2,0,0]=3 750 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [0,1,0,0,0,0|2,0,0]=3 751 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [0,1,0,0,0,0|2,0,0]=3 752 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [0,1,0,0,0,0|2,0,0]=3 753 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [0,1,0,0,0,0|2,0,0]=3 754 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [0,1,0,0,0,0|2,0,0]=3 755 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [0,1,0,0,0,0|3,0,0]=4 756 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [0,1,0,0,0,0|3,0,0]=4 758 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [0,1,0,0,0,0|3,0,0]=4 759 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [0,1,0,0,0,0|3,0,0]=4 760 B10R1.16 CCNCc1cc(sn1)C 207a_100015525214_200000100279 [0,1,0,0,0,0|3,0,0]=4 761 B10R1.16 CCNCc1cc(sn1)C 270004a_100015525214_200000100279 [0,1,0,0,0,0|3,0,0]=4 762 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,1,0,0,0,0|1,0,0]=2 763 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,1,0,0,0,0|1,0,0]=2 764 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,1,0,0,0,0|1,0,0]=2 765 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,1,0,0,0,0|1,0,0]=2 766 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,1,0,0,0,0|1,0,0]=2 767 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,1,0,0,0,0|1,0,0]=2 768 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,1,0,0,0,0|1,0,0]=2 769 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,1,0,0,0,0|1,0,0]=2 770 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,1,0,0,0,0|1,0,0]=2 771 B10R1.16 CCNCc1ccc(s1)Br 207a_100015525214_100000179771 [0,1,0,0,0,0|1,1,0]=3 772 B10R1.16 CCNCc1ccc(s1)Br 2230a_100015525214_100000708592 [0,1,0,0,0,0|1,1,0]=3 773 B10R1.16 CCNCc1ccc(s1)Br 270004a_100015525214_100000179771 [0,1,0,0,0,0|1,1,0]=3 774 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,1,0,0,0,0|1,1,0]=3 775 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,1,0,0,0,0|1,1,0]=3 776 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,1,0,0,0,0|1,1,0]=3 777 B10R1.16 CCNCc1ccc(s1)Cl 207a_100015525214_100000242774 [0,1,0,0,0,0|1,1,0]=3 778 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100000737310_100000210202 [0,1,0,0,0,0|1,1,0]=3 779 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100015525214_100000185097 [0,1,0,0,0,0|1,1,0]=3 780 B10R1.16 CCNCc1ccc(s1)Cl 270004a_100015525214_100000242774 [0,1,0,0,0,0|1,1,0]=3 781 B10R1.16 CCNCc1ccn(n1)C 207a_100015525214_100000750880 [0,1,0,0,0,0|3,0,0]=4 782 B10R1.16 CCNCc1ccn(n1)C 2230a_100015525214_100000726502 [0,1,0,0,0,0|3,0,0]=4 783 B10R1.16 CCNCc1ccn(n1)C 2230a_100020636201_100000210202 [0,1,0,0,0,0|3,0,0]=4 784 B10R1.16 CCNCc1ccn(n1)C 270004a_100015525214_100000750880 [0,1,0,0,0,0|3,0,0]=4 785 B10R1.16 CCNCc1ccn(n1)C 34a_100020636201_100000210202 [0,1,0,0,0,0|3,0,0]=4 786 B10R1.16 CCNCc1cn(cn1)C 207a_100015525214_100000684808 [0,1,0,0,0,0|3,0,0]=4 787 B10R1.16 CCNCc1cn(cn1)C 2230a_100015525214_100000717665 [0,1,0,0,0,0|3,0,0]=4 788 B10R1.16 CCNCc1cn(cn1)C 270004a_100015525214_100000684808 [0,1,0,0,0,0|3,0,0]=4 789 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,1,0,0,0,0|2,0,0]=3 790 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,1,0,0,0,0|2,0,0]=3 791 B10R1.16 CCNCc1cnc(s1)Br 2230a_100000726991_100000210202 [0,1,0,0,0,0|2,1,0]=4 792 B10R1.16 CCNCc1cnc(s1)Br 2230a_100015525214_100000717027 [0,1,0,0,0,0|2,1,0]=4 793 B10R1.16 CCNCc1cnc(s1)Br 270004a_100015525214_100009814069 [0,1,0,0,0,0|2,1,0]=4 794 B10R1.16 CCNCc1cnc(s1)C 207a_100015525214_100000740557 [0,1,0,0,0,0|2,1,0]=4 795 B10R1.16 CCNCc1cnc(s1)C 2230a_100015525214_100020635045 [0,1,0,0,0,0|2,1,0]=4 796 B10R1.16 CCNCc1cnc(s1)C 2230a_200000743601_100000210202 [0,1,0,0,0,0|2,1,0]=4 797 B10R1.16 CCNCc1cnc(s1)C 270004a_100015525214_100000740557 [0,1,0,0,0,0|2,1,0]=4 798 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100000726635_100000210202 [0,1,0,0,0,0|2,1,0]=4 799 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100015525214_100000058068 [0,1,0,0,0,0|2,1,0]=4 800 B10R1.16 CCNCc1cnc(s1)Cl 270004a_100015525214_100000696999 [0,1,0,0,0,0|2,1,0]=4 801 B10R1.16 CCNCc1coc(n1)C 207a_100015525214_100011361629 [0,1,0,0,0,0|3,0,0]=4 802 B10R1.16 CCNCc1coc(n1)C 270004a_100015525214_100011361629 [0,1,0,0,0,0|3,0,0]=4 803 B10R1.16 CCNCc1csc(c1)Br 207a_100015525214_100000737087 [0,1,0,0,0,0|3,0,0]=4 804 B10R1.16 CCNCc1csc(c1)Br 270004a_100015525214_100000737087 [0,1,0,0,0,0|3,0,0]=4 805 B10R1.16 CCNCc1csc(c1)C 207a_100015525214_100011998532 [0,1,0,0,0,0|3,0,0]=4 806 B10R1.16 CCNCc1csc(c1)C 270004a_100015525214_100011998532 [0,1,0,0,0,0|3,0,0]=4 807 B10R1.16 CCNCc1csc(c1)Cl 207a_100015525214_100009844934 [0,1,0,0,0,0|3,0,0]=4 808 B10R1.16 CCNCc1csc(c1)Cl 270004a_100015525214_100009844934 [0,1,0,0,0,0|3,0,0]=4 809 B10R1.16 CCNCc1csc(n1)Br 270004a_100015525214_100009816748 [0,1,0,0,0,0|3,0,0]=4 810 B10R1.16 CCNCc1csc(n1)C 207a_100015525214_100000203724 [0,1,0,0,0,0|3,0,0]=4 811 B10R1.16 CCNCc1csc(n1)C 2230a_100015525214_100015186478 [0,1,0,0,0,0|3,0,0]=4 812 B10R1.16 CCNCc1csc(n1)C 270004a_100015525214_100000203724 [0,1,0,0,0,0|3,0,0]=4 813 B10R1.16 CCNCc1csc(n1)C 34a_100000707933_100000210202 [0,1,0,0,0,0|3,0,0]=4 814 B10R1.16 CCNCc1csc(n1)Cl 2230a_100015525214_100000024076 [0,1,0,0,0,0|3,0,0]=4 815 B10R1.16 CCNCc1csc(n1)Cl 270004a_100015525214_100011935135 [0,1,0,0,0,0|3,0,0]=4 816 B10R1.16 CCNCc1nc(c[nH]1)C 207a_100015525214_100000082322 [0,1,0,0,0,0|3,0,0]=4 817 B10R1.16 CCNCc1nc(c[nH]1)C 270004a_100015525214_100000082322 [0,1,0,0,0,0|3,0,0]=4 818 B10R1.16 CCNCc1nc(cs1)Br 270004a_100015525214_100009816814 [0,1,0,0,0,0|2,1,0]=4 819 B10R1.16 CCNCc1nc(cs1)C 207a_100015525214_100000756994 [0,1,0,0,0,0|2,1,0]=4 820 B10R1.16 CCNCc1nc(cs1)C 2230a_100015183719_100000210202 [0,1,0,0,0,0|2,1,0]=4 821 B10R1.16 CCNCc1nc(cs1)C 270004a_100015525214_100000756994 [0,1,0,0,0,0|2,1,0]=4 822 B10R1.16 CCNCc1nc(no1)C 2230a_100015525214_100000735555 [0,1,0,0,0,0|3,0,0]=4 823 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [0,1,0,0,0,0|2,0,0]=3 824 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [0,1,0,0,0,0|2,0,0]=3 825 B10R1.16 CCNCc1ncc(s1)Br 270004a_100015525214_100000699580 [0,1,0,0,0,0|2,1,0]=4 826 B10R1.16 CCNCc1ncc(s1)C 207a_100015525214_100011361622 [0,1,0,0,0,0|2,1,0]=4 827 B10R1.16 CCNCc1ncc(s1)C 270004a_100015525214_100011361622 [0,1,0,0,0,0|2,1,0]=4 828 B10R1.16 CCNCc1ncc(s1)Cl 270004a_100015525214_100000699884 [0,1,0,0,0,0|2,1,0]=4 829 B10R1.16 CCNCc1nnc(o1)C 2230a_100015525214_100000181450 [0,1,0,0,0,0|3,0,0]=4 830 B10R1.16 CCNCc1nnc(o1)C 2230a_200000236979_100000210202 [0,1,0,0,0,0|3,0,0]=4 831 B10R1.16 CCNCc1nnc(o1)C 34a_200000236979_100000210202 [0,1,0,0,0,0|3,0,0]=4 832 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,0,0,0|3,0,0]=4 833 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [0,1,0,0,0,0|1,1,0]=3 834 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [0,1,0,0,0,0|1,1,0]=3 835 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [0,1,0,0,0,0|1,1,0]=3 836 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,1,0,0,0,0|1,1,0]=3 837 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,1,0,0,0,0|1,1,0]=3 838 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [0,1,0,0,0,0|1,1,0]=3 839 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [0,1,0,0,0,0|2,0,0]=3 840 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [0,1,0,0,0,0|2,0,0]=3 841 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [0,1,0,0,0,0|2,0,0]=3 842 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [0,1,0,0,0,0|3,0,0]=4 843 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [0,1,0,0,0,0|3,0,0]=4 844 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,1,0,0,0,0|1,0,0]=2 845 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,1,0,0,0,0|1,0,0]=2 846 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,1,0,0,0,0|1,0,0]=2 847 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,1,0,0,0,0|1,0,0]=2 848 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [0,1,0,0,0,0|1,1,0]=3 849 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,1,0,0,0,0|1,1,0]=3 850 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [0,1,0,0,0,0|1,1,0]=3 851 B10R1.16 CCOCc1ccn(n1)C 34a_100000744484_100000210202 [0,1,0,0,0,0|3,0,0]=4 852 B10R1.16 CCOCc1ccn(n1)C 34a_100121572206_100000726502 [0,1,0,0,0,0|3,0,0]=4 853 B10R1.16 CCOCc1cn(cn1)C 34a_100000710007_100000210202 [0,1,0,0,0,0|3,0,0]=4 854 B10R1.16 CCOCc1cn(cn1)C 34a_100121572206_100000717665 [0,1,0,0,0,0|3,0,0]=4 855 B10R1.16 CCOCc1cnc(s1)Br 34a_100121572206_100000717027 [0,1,0,0,0,0|2,1,0]=4 856 B10R1.16 CCOCc1cnc(s1)Br 7a_100009816753_100000210202 [0,1,0,0,0,0|2,1,0]=4 857 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,1,0,0,0,0|2,1,0]=4 858 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,1,0,0,0,0|2,1,0]=4 859 B10R1.16 CCOCc1cnc(s1)Cl 34a_100121572206_100000058068 [0,1,0,0,0,0|2,1,0]=4 860 B10R1.16 CCOCc1cnc(s1)Cl 7a_100000697714_100000210202 [0,1,0,0,0,0|2,1,0]=4 861 B10R1.16 CCOCc1cnc(s1)N 7a_100011997359_100000210202 [0,1,0,0,0,0|2,1,0]=4 862 B10R1.16 CCOCc1coc(n1)C 34a_100012017233_100000210202 [0,1,0,0,0,0|3,0,0]=4 863 B10R1.16 CCOCc1csc(c1)Cl 34a_100009863405_100000210202 [0,1,0,0,0,0|3,0,0]=4 864 B10R1.16 CCOCc1csc(c1)Cl 7a_100009863405_100000210202 [0,1,0,0,0,0|3,0,0]=4 865 B10R1.16 CCOCc1csc(n1)C 34a_100000735831_100000210202 [0,1,0,0,0,0|3,0,0]=4 866 B10R1.16 CCOCc1csc(n1)C 34a_100121572206_100015186478 [0,1,0,0,0,0|3,0,0]=4 867 B10R1.16 CCOCc1csc(n1)Cl 34a_100121572206_100000024076 [0,1,0,0,0,0|3,0,0]=4 868 B10R1.16 CCOCc1nc(cs1)Br 7a_100012000107_100000210202 [0,1,0,0,0,0|2,1,0]=4 869 B10R1.16 CCOCc1nc(no1)C 270196a_100000212224_100000211967 [0,1,0,0,0,0|3,0,0]=4 870 B10R1.16 CCOCc1nc(no1)C 34a_100000749583_100000210202 [0,1,0,0,0,0|3,0,0]=4 871 B10R1.16 CCOCc1nc(no1)C 34a_100121572206_100000735555 [0,1,0,0,0,0|3,0,0]=4 872 B10R1.16 CCOCc1nnc(o1)C 34a_100000749586_100000210202 [0,1,0,0,0,0|3,0,0]=4 873 B10R1.16 CCOCn1cc(cn1)Cl 34a_100000732729_100000210202 [0,1,0,0,0,0|3,0,0]=4 874 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,0,0,0|3,0,0]=4 875 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,0,0,0|3,0,0]=4 876 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [0,1,0,0,0,0|1,1,0]=3 877 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [0,1,0,0,0,0|1,1,0]=3 878 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [0,1,0,0,0,0|2,0,0]=3 879 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [0,1,0,0,0,0|2,0,0]=3 880 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,1,0,0,0,0|2,0,0]=3 881 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,1,0,0,0,0|2,0,0]=3 882 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [0,1,0,0,0,0|3,0,0]=4 883 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [0,1,0,0,0,0|3,0,0]=4 884 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [0,1,0,0,0,0|1,1,0]=3 885 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [0,1,0,0,0,0|1,1,0]=3 886 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [0,1,0,0,0,0|1,1,0]=3 887 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [0,1,0,0,0,0|1,1,0]=3 888 B10R1.16 CCSCc1ccn(n1)C 62a_100000210202_100000726502 [0,1,0,0,0,0|3,0,0]=4 889 B10R1.16 CCSCc1ccn(n1)C 62a_100000726502_100000210202 [0,1,0,0,0,0|3,0,0]=4 890 B10R1.16 CCSCc1cn(cn1)C 62a_100000210202_100000717665 [0,1,0,0,0,0|3,0,0]=4 891 B10R1.16 CCSCc1cn(cn1)C 62a_100000717665_100000210202 [0,1,0,0,0,0|3,0,0]=4 892 B10R1.16 CCSCc1cnc(s1)Br 62a_100000210202_100000717027 [0,1,0,0,0,0|2,1,0]=4 893 B10R1.16 CCSCc1cnc(s1)Br 62a_100000717027_100000210202 [0,1,0,0,0,0|2,1,0]=4 894 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,1,0,0,0,0|2,1,0]=4 895 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,1,0,0,0,0|2,1,0]=4 896 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000058068_100000210202 [0,1,0,0,0,0|2,1,0]=4 897 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000210202_100000058068 [0,1,0,0,0,0|2,1,0]=4 898 B10R1.16 CCSCc1csc(n1)C 62a_100000210202_100015186478 [0,1,0,0,0,0|3,0,0]=4 899 B10R1.16 CCSCc1csc(n1)C 62a_100015186478_100000210202 [0,1,0,0,0,0|3,0,0]=4 900 B10R1.16 CCSCc1csc(n1)Cl 62a_100000024076_100000210202 [0,1,0,0,0,0|3,0,0]=4 901 B10R1.16 CCSCc1csc(n1)Cl 62a_100000210202_100000024076 [0,1,0,0,0,0|3,0,0]=4 902 B10R1.16 CCSCc1nc(no1)C 270196a_100000212224_100000230394 [0,1,0,0,0,0|3,0,0]=4 903 B10R1.16 CCSCc1nc(no1)C 62a_100000210202_100000735555 [0,1,0,0,0,0|3,0,0]=4 904 B10R1.16 CCSCc1nc(no1)C 62a_100000735555_100000210202 [0,1,0,0,0,0|3,0,0]=4 905 B10R1.16 CCSCc1nnc(o1)C 62a_100000181450_100000210202 [0,1,0,0,0,0|3,0,0]=4 906 B10R1.16 CCSCc1nnc(o1)C 62a_100000210202_100000181450 [0,1,0,0,0,0|3,0,0]=4 907 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,0,0,0|1,0,0]=2 908 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,0,0,0|1,0,0]=2 909 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,1,0,0,0,0|1,1,0]=3 910 B10R1.16 CNCCc1csc(n1)C 2230a_102495365028_200000210301 [0,1,0,0,0,0|3,0,0]=4 911 B10R1.16 CNCCc1csc(n1)C 2230a_106832991635_100000695623 [0,1,0,0,0,0|3,0,0]=4 912 B10R1.16 CNCCc1csc(n1)C 34a_100102657272_100000695623 [0,1,0,0,0,0|3,0,0]=4 913 B10R1.16 CNCCc1csc(n1)C 34a_102495365028_200000210301 [0,1,0,0,0,0|3,0,0]=4 914 B10R1.16 CNCCc1csc(n1)C 7a_106832991635_100000695623 [0,1,0,0,0,0|3,0,0]=4 915 B10R1.16 CNCCc1nc(cs1)C 2230a_100000736835_200000210301 [0,1,0,0,0,0|2,1,0]=4 916 B10R1.16 CNCCc1nc(no1)C 34a_100000747544_200000210301 [0,1,0,0,0,0|3,0,0]=4 917 B10R1.16 CNCCn1cc(cn1)Br 2230a_100000730845_200000210301 [0,1,0,0,0,0|3,0,0]=4 918 B10R1.16 CNCCn1cc(cn1)Br 34a_100000730845_200000210301 [0,1,0,0,0,0|3,0,0]=4 919 B10R1.16 CNCCn1cc(cn1)Cl 2230a_106832991635_100011353933 [0,1,0,0,0,0|3,0,0]=4 920 B10R1.16 CNCCn1cc(cn1)Cl 34a_200000238484_200000210301 [0,1,0,0,0,0|3,0,0]=4 921 B10R1.16 CNCCn1cc(cn1)Cl 7a_106832991635_100011353933 [0,1,0,0,0,0|3,0,0]=4 922 B10R1.16 CNCCn1ccc(n1)C 2230a_106832991635_200011934056 [0,1,0,0,0,0|3,0,0]=4 923 B10R1.16 CNCCn1ccc(n1)C 7a_106832991635_200011934056 [0,1,0,0,0,0|3,0,0]=4 924 B10R1.16 COCCc1cc(no1)Br 34a_100009816916_200000210301 [0,1,0,0,0,0|2,0,0]=3 925 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,1,0,0,0,0|1,0,0]=2 926 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,1,0,0,0,0|1,0,0]=2 927 B10R1.16 COCCc1cnc(s1)N 7a_100000124125_200000210301 [0,1,0,0,0,0|2,1,0]=4 928 B10R1.16 COCCc1csc(n1)C 34a_100011934828_200000210301 [0,1,0,0,0,0|3,0,0]=4 929 B10R1.16 COCCc1csc(n1)C 34a_100138415774_100000695623 [0,1,0,0,0,0|3,0,0]=4 930 B10R1.16 COCCc1nc(no1)C 270196a_100000212224_100000749529 [0,1,0,0,0,0|3,0,0]=4 931 B10R1.16 COCCn1cc(cn1)Br 34a_100011236722_200000210301 [0,1,0,0,0,0|3,0,0]=4 932 B10R1.16 COCCn1cc(cn1)C 34a_100011363705_200000210301 [0,1,0,0,0,0|3,0,0]=4 933 B10R1.16 COCCn1cc(cn1)Cl 34a_100011398116_200000210301 [0,1,0,0,0,0|3,0,0]=4 934 B10R1.16 COCCn1cc(cn1)I 34a_100012072722_200000210301 [0,1,0,0,0,0|3,0,0]=4 935 B10R1.16 COCCn1cc(cn1)N 34a_100000743930_200000210301 [0,1,0,0,0,0|3,0,0]=4 936 B10R1.16 COCCn1cc(cn1)O 271570a_203496583355_100000753899 [0,1,0,0,0,0|3,0,0]=4 937 B10R1.16 COCCn1ccc(n1)Br 34a_200010732121_200000210301 [0,1,0,0,0,0|3,0,0]=4 938 B10R1.16 COCCn1ccc(n1)N 34a_100000752724_200000210301 [0,1,0,0,0,0|3,0,0]=4 939 B10R1.16 COCSc1cc(cs1)C 62a_100000766300_100009876951 [0,1,0,0,0,0|2,1,0]=4 940 B10R1.16 COCSc1cc(cs1)C 62a_100009876951_100000766300 [0,1,0,0,0,0|2,1,0]=4 941 B10R1.16 COCSc1ccc(s1)Br 62a_100000766300_100010197418 [0,1,0,0,0,0|2,1,0]=4 942 B10R1.16 COCSc1ccc(s1)Br 62a_100010197418_100000766300 [0,1,0,0,0,0|2,1,0]=4 943 B10R1.16 COCSc1ccc(s1)C 62a_100000031368_100000766300 [0,1,0,0,0,0|2,1,0]=4 944 B10R1.16 COCSc1ccc(s1)C 62a_100000766300_100000031368 [0,1,0,0,0,0|2,1,0]=4 945 B10R1.16 CSCCc1csc(n1)C 62a_100000695623_200000210301 [0,1,0,0,0,0|3,0,0]=4 946 B10R1.16 CSCCc1csc(n1)C 62a_200000210301_100000695623 [0,1,0,0,0,0|3,0,0]=4 947 B10R1.16 CSCCc1nc(no1)C 270196a_100000212224_100000174002 [0,1,0,0,0,0|3,0,0]=4 948 B10R1.16 CSCCn1cc(cn1)Cl 62a_100011353933_200000210301 [0,1,0,0,0,0|3,0,0]=4 949 B10R1.16 CSCCn1cc(cn1)Cl 62a_200000210301_100011353933 [0,1,0,0,0,0|3,0,0]=4 950 B10R1.16 CSCCn1ccc(n1)C 62a_200000210301_200011934056 [0,1,0,0,0,0|3,0,0]=4 951 B10R1.16 CSCCn1ccc(n1)C 62a_200011934056_200000210301 [0,1,0,0,0,0|3,0,0]=4 952 B10R1.16 CSCSc1cc(cs1)C 62a_100009876951_100011218213 [0,1,0,0,0,0|2,1,0]=4 953 B10R1.16 CSCSc1cc(cs1)C 62a_100011218213_100009876951 [0,1,0,0,0,0|2,1,0]=4 954 B10R1.16 CSCSc1ccc(s1)Br 62a_100010197418_100011218213 [0,1,0,0,0,0|2,1,0]=4 955 B10R1.16 CSCSc1ccc(s1)Br 62a_100011218213_100010197418 [0,1,0,0,0,0|2,1,0]=4 956 B10R1.16 CSCSc1ccc(s1)C 62a_100000031368_100011218213 [0,1,0,0,0,0|2,1,0]=4 957 B10R1.16 CSCSc1ccc(s1)C 62a_100011218213_100000031368 [0,1,0,0,0,0|2,1,0]=4 958 B10R1.16 Cc1cc(on1)CNCF 34a_100000745748_100015361967 [0,1,0,0,0,0|3,0,0]=4 959 B10R1.16 Cc1cc(on1)COCF 34a_100000684692_100015361967 [0,1,0,0,0,0|3,0,0]=4 960 B10R1.16 Cc1cc(on1)CSCF 62a_100000707947_100015361967 [0,1,0,0,0,0|3,0,0]=4 961 B10R1.16 Cc1cc(on1)CSCF 62a_100015361967_100000707947 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,0,0,0|1,0,0]=2 963 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,0,0,0|1,0,0]=2 964 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,1,0,0,0,0|1,0,0]=2 965 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,1,0,0,0,0|1,0,0]=2 966 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,1,0,0,0,0|2,0,0]=3 967 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,1,0,0,0,0|2,0,0]=3 968 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,1,0,0,0,0|2,0,0]=3 969 B10R1.16 Cc1ccc(s1)COCF 34a_100000238367_100015361967 [0,1,0,0,0,0|2,1,0]=4 970 B10R1.16 Cc1ccc(s1)SCCF 62a_100000031368_100011217306 [0,1,0,0,0,0|2,1,0]=4 971 B10R1.16 Cc1ccc(s1)SCCF 62a_100011217306_100000031368 [0,1,0,0,0,0|2,1,0]=4 972 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,1,0,0,0,0|2,1,0]=4 973 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,1,0,0,0,0|2,1,0]=4 974 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200011934056_200025704644 [0,1,0,0,0,0|3,0,0]=4 975 B10R1.16 Cc1ccn(n1)CCS[13CH3] 62a_200025704644_200011934056 [0,1,0,0,0,0|3,0,0]=4 976 B10R1.16 Cc1cnc(o1)CNCF 34a_100138411809_100015361967 [0,1,0,0,0,0|3,0,0]=4 977 B10R1.16 Cc1cnn(c1)CCO[13CH3] 34a_100011363705_200025704644 [0,1,0,0,0,0|3,0,0]=4 978 B10R1.16 Cc1csc(c1)CNCF 34a_100015204214_100015361967 [0,1,0,0,0,0|2,1,0]=4 979 B10R1.16 Cc1csc(c1)COCF 34a_200000068372_100015361967 [0,1,0,0,0,0|2,1,0]=4 980 B10R1.16 Cc1csc(c1)COCF 7a_200000068372_100015361967 [0,1,0,0,0,0|2,1,0]=4 981 B10R1.16 Cc1csc(c1)SCCF 62a_100009876951_100011217306 [0,1,0,0,0,0|2,1,0]=4 982 B10R1.16 Cc1csc(c1)SCCF 62a_100011217306_100009876951 [0,1,0,0,0,0|2,1,0]=4 983 B10R1.16 Cc1csc(c1)SCCO 62a_100000211926_100009876951 [0,1,0,0,0,0|2,1,0]=4 984 B10R1.16 Cc1csc(c1)SCCO 62a_100009876951_100000211926 [0,1,0,0,0,0|2,1,0]=4 985 B10R1.16 Cc1csc(n1)CCN[13CH3] 2230a_100000736835_200025704644 [0,1,0,0,0,0|2,1,0]=4 986 B10R1.16 Cc1nc(cs1)CCN[13CH3] 2230a_102495365028_200025704644 [0,1,0,0,0,0|3,0,0]=4 987 B10R1.16 Cc1nc(cs1)CCN[13CH3] 34a_102495365028_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B10R1.16 Cc1nc(cs1)CCO[13CH3] 34a_100011934828_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_100000695623_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B10R1.16 Cc1nc(cs1)CCS[13CH3] 62a_200025704644_100000695623 [0,1,0,0,0,0|3,0,0]=4 991 B10R1.16 Cc1noc(n1)CCN[13CH3] 34a_100000747544_200025704644 [0,1,0,0,0,0|3,0,0]=4 992 B10R1.16 FCCSc1ccc(s1)Br 62a_100010197418_100011217306 [0,1,0,0,0,0|2,1,0]=4 993 B10R1.16 FCCSc1ccc(s1)Br 62a_100011217306_100010197418 [0,1,0,0,0,0|2,1,0]=4 994 B10R1.16 FCNCc1cc(cs1)Br 34a_100000741024_100015361967 [0,1,0,0,0,0|2,1,0]=4 995 B10R1.16 FCNCc1cc(no1)Br 34a_100015193020_100015361967 [0,1,0,0,0,0|3,0,0]=4 996 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [0,1,0,0,0,0|2,0,0]=3 997 B10R1.16 FCOCc1cc(cs1)Br 34a_100000238369_100015361967 [0,1,0,0,0,0|2,1,0]=4 998 B10R1.16 FCOCc1cc(cs1)Br 7a_100000238369_100015361967 [0,1,0,0,0,0|2,1,0]=4 999 B10R1.16 FCOCc1cc(no1)Br 34a_100009816691_100015361967 [0,1,0,0,0,0|3,0,0]=4 1000 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [0,1,0,0,0,0|2,0,0]=3 1001 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [0,1,0,0,0,0|2,0,0]=3 1002 B10R1.16 FCSCc1cc(cs1)Br 62a_100000746031_100015361967 [0,1,0,0,0,0|2,1,0]=4 1003 B10R1.16 FCSCc1cc(cs1)Br 62a_100015361967_100000746031 [0,1,0,0,0,0|2,1,0]=4 1004 B10R1.16 FCSCc1cc(no1)Br 62a_100000709089_100015361967 [0,1,0,0,0,0|3,0,0]=4 1005 B10R1.16 FCSCc1cc(no1)Br 62a_100015361967_100000709089 [0,1,0,0,0,0|3,0,0]=4 1006 B10R1.16 FCSCc1ccc(s1)Br 62a_100000708592_100015361967 [0,1,0,0,0,0|2,1,0]=4 1007 B10R1.16 FCSCc1ccc(s1)Br 62a_100015361967_100000708592 [0,1,0,0,0,0|2,1,0]=4 1008 B10R1.16 FCSCc1ccc(s1)Cl 62a_100000185097_100015361967 [0,1,0,0,0,0|2,1,0]=4 1009 B10R1.16 FCSCc1ccc(s1)Cl 62a_100015361967_100000185097 [0,1,0,0,0,0|2,1,0]=4 1010 B10R1.16 OCCCn1cc(cn1)O 271570a_203496583355_100011398341 [0,1,0,0,0,0|3,0,0]=4 1011 B10R1.16 OCCSc1ccc(s1)Br 62a_100000211926_100010197418 [0,1,0,0,0,0|2,1,0]=4 1012 B10R1.16 OCCSc1ccc(s1)Br 62a_100010197418_100000211926 [0,1,0,0,0,0|2,1,0]=4 1013 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,1,0,0,0,0|1,1,0]=3 1014 B10R1.16 [13CH3]NCCn1cc(cn1)Br 2230a_100000730845_200025704644 [0,1,0,0,0,0|3,0,0]=4 1015 B10R1.16 [13CH3]NCCn1cc(cn1)Br 34a_100000730845_200025704644 [0,1,0,0,0,0|3,0,0]=4 1016 B10R1.16 [13CH3]NCCn1cc(cn1)Cl 34a_200000238484_200025704644 [0,1,0,0,0,0|3,0,0]=4 1017 B10R1.16 [13CH3]OCCc1cc(no1)Br 34a_100009816916_200025704644 [0,1,0,0,0,0|2,0,0]=3 1018 B10R1.16 [13CH3]OCCc1cnc(s1)N 7a_100000124125_200025704644 [0,1,0,0,0,0|2,1,0]=4 1019 B10R1.16 [13CH3]OCCn1cc(cn1)Br 34a_100011236722_200025704644 [0,1,0,0,0,0|3,0,0]=4 1020 B10R1.16 [13CH3]OCCn1cc(cn1)Cl 34a_100011398116_200025704644 [0,1,0,0,0,0|3,0,0]=4 1021 B10R1.16 [13CH3]OCCn1cc(cn1)I 34a_100012072722_200025704644 [0,1,0,0,0,0|3,0,0]=4 1022 B10R1.16 [13CH3]OCCn1cc(cn1)N 34a_100000743930_200025704644 [0,1,0,0,0,0|3,0,0]=4 1023 B10R1.16 [13CH3]OCCn1ccc(n1)Br 34a_200010732121_200025704644 [0,1,0,0,0,0|3,0,0]=4 1024 B10R1.16 [13CH3]OCCn1ccc(n1)N 34a_100000752724_200025704644 [0,1,0,0,0,0|3,0,0]=4 1025 B10R1.16 [13CH3]SCCn1cc(cn1)Cl 62a_100011353933_200025704644 [0,1,0,0,0,0|3,0,0]=4 1026 B10R1.16 [13CH3]SCCn1cc(cn1)Cl 62a_200025704644_100011353933 [0,1,0,0,0,0|3,0,0]=4 1027 B10R1.21 BrCCOCc1c[nH]cn1 34a_100000211926_100000707719 [0,1,0,0,0,0|3,0,0]=4 1028 B10R1.21 BrCCOCc1ccn[nH]1 34a_100000211926_100000728653 [0,1,0,0,0,0|3,0,0]=4 1029 B10R1.21 BrCCOCc1ccon1 34a_100000211926_100000234950 [0,1,0,0,0,0|3,0,0]=4 1030 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,1,0,0,0,0|3,0,0]=4 1031 B10R1.21 BrCCOCc1cncs1 34a_100000211926_100015185245 [0,1,0,0,0,0|2,1,0]=4 1032 B10R1.21 BrCCOCc1cscn1 34a_100000211926_100000205941 [0,1,0,0,0,0|3,0,0]=4 1033 B10R1.21 BrCCOCc1ncc[nH]1 34a_100000211926_100016991755 [0,1,0,0,0,0|3,0,0]=4 1034 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [0,1,0,0,0,0|2,0,0]=3 1035 B10R1.21 BrCCOCc1nccs1 34a_100000211926_100015184050 [0,1,0,0,0,0|2,1,0]=4 1036 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [0,1,0,0,0,0|0,0,2]=3 1037 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [0,1,0,0,0,0|0,0,2]=3 1038 B10R1.21 C#CCCSc1cccs1 62a_100000688953_100011215356 [0,1,0,0,0,0|0,1,2]=4 1039 B10R1.21 C#CCCSc1cccs1 62a_100011215356_100000688953 [0,1,0,0,0,0|0,1,2]=4 1040 B10R1.21 C#CCCSc1cnco1 62a_100000688953_100020591547 [0,1,0,0,0,0|1,0,2]=4 1041 B10R1.21 C#CCCSc1cnco1 62a_100020591547_100000688953 [0,1,0,0,0,0|1,0,2]=4 1042 B10R1.21 C#CCCSc1ncco1 62a_100000688953_100011787736 [0,1,0,0,0,0|1,0,2]=4 1043 B10R1.21 C#CCCSc1ncco1 62a_100011787736_100000688953 [0,1,0,0,0,0|1,0,2]=4 1044 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [0,1,0,0,0,0|0,0,2]=3 1045 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [0,1,0,0,0,0|0,0,2]=3 1046 B10R1.21 C#CCNCc1cccs1 2230a_100000211653_100000038162 [0,1,0,0,0,0|0,1,2]=4 1047 B10R1.21 C#CCNCc1ncco1 2230a_100016994969_100000038162 [0,1,0,0,0,0|1,0,2]=4 1048 B10R1.21 C#CCNCc1ncco1 34a_100000212058_103436540062 [0,1,0,0,0,0|1,0,2]=4 1049 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [0,1,0,0,0,0|0,0,2]=3 1050 B10R1.21 C#CCOCc1cccs1 34a_100000211240_100000184674 [0,1,0,0,0,0|0,1,2]=4 1051 B10R1.21 C#CCOCc1ccno1 34a_100000740478_100000184674 [0,1,0,0,0,0|1,0,2]=4 1052 B10R1.21 C#CCOCc1ncco1 34a_100000062594_100000184674 [0,1,0,0,0,0|1,0,2]=4 1053 B10R1.21 C#CCOCc1ncco1 34a_100000210247_103436540062 [0,1,0,0,0,0|1,0,2]=4 1054 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [0,1,0,0,0,0|1,0,2]=4 1055 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,1,0,0,0,0|0,0,2]=3 1056 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,1,0,0,0,0|0,0,2]=3 1057 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,0,0,0|0,1,2]=4 1058 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,0,0,0|0,1,2]=4 1059 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [0,1,0,0,0,0|1,0,2]=4 1060 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [0,1,0,0,0,0|1,0,2]=4 1061 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [0,1,0,0,0,0|1,0,2]=4 1062 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [0,1,0,0,0,0|1,0,2]=4 1063 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,1,0,0,0,0|0,0,2]=3 1064 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,1,0,0,0,0|0,0,2]=3 1065 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [0,1,0,0,0,0|0,1,2]=4 1066 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [0,1,0,0,0,0|0,1,2]=4 1067 B10R1.21 C=CCCSc1cnco1 62a_100000754431_100020591547 [0,1,0,0,0,0|1,0,2]=4 1068 B10R1.21 C=CCCSc1cnco1 62a_100020591547_100000754431 [0,1,0,0,0,0|1,0,2]=4 1069 B10R1.21 C=CCCSc1ncco1 62a_100000754431_100011787736 [0,1,0,0,0,0|1,0,2]=4 1070 B10R1.21 C=CCCSc1ncco1 62a_100011787736_100000754431 [0,1,0,0,0,0|1,0,2]=4 1071 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,0,0|0,0,2]=3 1072 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,0,0|0,0,2]=3 1073 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,0,0|0,0,2]=3 1074 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,1,0,0,0,0|0,1,2]=4 1075 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,1,0,0,0,0|0,1,2]=4 1076 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,1,0,0,0,0|1,0,2]=4 1077 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [0,1,0,0,0,0|1,0,2]=4 1078 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [0,1,0,0,0,0|1,0,2]=4 1079 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [0,1,0,0,0,0|1,0,2]=4 1080 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,1,0,0,0,0|0,0,2]=3 1081 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,1,0,0,0,0|0,1,2]=4 1082 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,1,0,0,0,0|1,0,2]=4 1083 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,1,0,0,0,0|1,0,2]=4 1084 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,1,0,0,0,0|1,0,2]=4 1085 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [0,1,0,0,0,0|1,0,2]=4 1086 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [0,1,0,0,0,0|1,0,2]=4 1087 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [0,1,0,0,0,0|0,0,2]=3 1088 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [0,1,0,0,0,0|0,0,2]=3 1089 B10R1.21 CC#CCSc1cccs1 62a_100000748600_100011215356 [0,1,0,0,0,0|0,1,2]=4 1090 B10R1.21 CC#CCSc1cccs1 62a_100011215356_100000748600 [0,1,0,0,0,0|0,1,2]=4 1091 B10R1.21 CC#CCSc1cnco1 62a_100000748600_100020591547 [0,1,0,0,0,0|1,0,2]=4 1092 B10R1.21 CC#CCSc1cnco1 62a_100020591547_100000748600 [0,1,0,0,0,0|1,0,2]=4 1093 B10R1.21 CC#CCSc1ncco1 62a_100000748600_100011787736 [0,1,0,0,0,0|1,0,2]=4 1094 B10R1.21 CC#CCSc1ncco1 62a_100011787736_100000748600 [0,1,0,0,0,0|1,0,2]=4 1095 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,1,0,0,0,0|0,0,2]=3 1096 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,1,0,0,0,0|0,0,2]=3 1097 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,0,0,0|0,1,2]=4 1098 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,0,0,0|0,1,2]=4 1099 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [0,1,0,0,0,0|1,0,2]=4 1100 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [0,1,0,0,0,0|1,0,2]=4 1101 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [0,1,0,0,0,0|1,0,2]=4 1102 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [0,1,0,0,0,0|1,0,2]=4 1103 B10R1.21 CCCC=Cc1c[nH]cn1 271570a_100016258520_100000756875 [0,1,0,0,0,0|2,0,1]=4 1104 B10R1.21 CCCC=Cc1cc[nH]n1 271570a_100016258520_100000062575 [0,1,0,0,0,0|2,0,1]=4 1105 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,1,0,0,0,0|0,0,1]=2 1106 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,1,0,0,0,0|0,1,1]=3 1107 B10R1.21 CCCC=Cc1ccoc1 271570a_100016258520_100011215275 [0,1,0,0,0,0|2,0,1]=4 1108 B10R1.21 CCCC=Cc1ccsc1 271570a_100016258520_100000738268 [0,1,0,0,0,0|2,0,1]=4 1109 B10R1.21 CCCC=Cc1ccsn1 271570a_100016258520_100009818082 [0,1,0,0,0,0|2,0,1]=4 1110 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,1,0,0,0,0|1,0,1]=3 1111 B10R1.21 CCCC=Cc1cncs1 271570a_100016258520_100011934649 [0,1,0,0,0,0|1,1,1]=4 1112 B10R1.21 CCCC=Cc1cscn1 271570a_100016258520_100000751502 [0,1,0,0,0,0|2,0,1]=4 1113 B10R1.21 CCCC=Cc1ncc[nH]1 271570a_100016258520_100025796157 [0,1,0,0,0,0|2,0,1]=4 1114 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,1,0,0,0,0|1,0,1]=3 1115 B10R1.21 CCCC=Cc1nccs1 271570a_100016258520_100000211983 [0,1,0,0,0,0|1,1,1]=4 1116 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,1,0,0,0,0|2,0,1]=4 1117 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,1,0,0,0,0|1,0,2]=4 1118 B10R1.21 CCCCNc1ncns1 27a_100000102301_100000693119 [0,1,0,0,0,0|2,1,0]=4 1119 B10R1.21 CCCCNc1nncs1 27a_100000102301_100000739804 [0,1,0,0,0,0|2,1,0]=4 1120 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,0,0,0|2,0,0]=3 1121 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,0,0,0|2,0,0]=3 1122 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [0,1,0,0,0,0|2,0,0]=3 1123 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [0,1,0,0,0,0|2,0,0]=3 1124 B10R1.21 CCCCSc1c[nH]nn1 62a_100000210211_100009819707 [0,1,0,0,0,0|3,0,0]=4 1125 B10R1.21 CCCCSc1c[nH]nn1 62a_100009819707_100000210210 [0,1,0,0,0,0|3,0,0]=4 1126 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,1,0,0,0,0|2,0,0]=3 1127 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,1,0,0,0,0|2,0,0]=3 1128 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,0,0,0|0,0,0]=1 1129 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,0,0,0|0,0,0]=1 1130 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,1,0,0,0,0|0,1,0]=2 1131 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,1,0,0,0,0|0,1,0]=2 1132 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,0,0,0|2,0,0]=3 1133 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,0,0,0|2,0,0]=3 1134 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,0,0,0|2,0,0]=3 1135 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,0,0,0|2,0,0]=3 1136 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,1,0,0,0,0|2,0,0]=3 1137 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,1,0,0,0,0|2,0,0]=3 1138 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,1,0,0,0,0|2,0,0]=3 1139 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,1,0,0,0,0|2,0,0]=3 1140 B10R1.21 CCCCSc1cn[nH]c1 62a_100000210211_100000238712 [0,1,0,0,0,0|3,0,0]=4 1141 B10R1.21 CCCCSc1cn[nH]c1 62a_100000238712_100000210210 [0,1,0,0,0,0|3,0,0]=4 1142 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,1,0,0,0,0|1,0,0]=2 1143 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,1,0,0,0,0|1,0,0]=2 1144 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,1,0,0,0,0|1,1,0]=3 1145 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,1,0,0,0,0|1,1,0]=3 1146 B10R1.21 CCCCSc1cnoc1 62a_100000210211_100009815712 [0,1,0,0,0,0|3,0,0]=4 1147 B10R1.21 CCCCSc1cnoc1 62a_100009815712_100000210210 [0,1,0,0,0,0|3,0,0]=4 1148 B10R1.21 CCCCSc1cnsc1 62a_100000210211_100009815736 [0,1,0,0,0,0|3,0,0]=4 1149 B10R1.21 CCCCSc1cnsc1 62a_100009815736_100000210210 [0,1,0,0,0,0|3,0,0]=4 1150 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [0,1,0,0,0,0|2,0,0]=3 1151 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [0,1,0,0,0,0|2,0,0]=3 1152 B10R1.21 CCCCSc1nc[nH]n1 62a_100000210211_100000761765 [0,1,0,0,0,0|3,0,0]=4 1153 B10R1.21 CCCCSc1nc[nH]n1 62a_100000761765_100000210210 [0,1,0,0,0,0|3,0,0]=4 1154 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [0,1,0,0,0,0|2,0,0]=3 1155 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [0,1,0,0,0,0|2,0,0]=3 1156 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,1,0,0,0,0|1,0,0]=2 1157 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,1,0,0,0,0|1,0,0]=2 1158 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,1,0,0,0,0|1,1,0]=3 1159 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,1,0,0,0,0|1,1,0]=3 1160 B10R1.21 CCCCSc1ncns1 62a_100000210211_100000693119 [0,1,0,0,0,0|2,1,0]=4 1161 B10R1.21 CCCCSc1ncns1 62a_100000693119_100000210210 [0,1,0,0,0,0|2,1,0]=4 1162 B10R1.21 CCCCSc1nncs1 62a_100000210211_100000739804 [0,1,0,0,0,0|2,1,0]=4 1163 B10R1.21 CCCCSc1nncs1 62a_100000739804_100000210210 [0,1,0,0,0,0|2,1,0]=4 1164 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,1,0,0,0,0|2,0,0]=3 1165 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,1,0,0,0,0|2,0,0]=3 1166 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,0,0,0|0,0,0]=1 1167 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,0,0,0|0,0,0]=1 1168 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,0,0,0|0,0,0]=1 1169 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,0,0,0|0,0,0]=1 1170 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,1,0,0,0,0|0,1,0]=2 1171 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,1,0,0,0,0|0,1,0]=2 1172 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,1,0,0,0,0|0,1,0]=2 1173 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,0,0,0|2,0,0]=3 1174 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,0,0,0|2,0,0]=3 1175 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,0,0,0|2,0,0]=3 1176 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,0,0,0|2,0,0]=3 1177 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,1,0,0,0,0|2,0,0]=3 1178 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,1,0,0,0,0|2,0,0]=3 1179 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,1,0,0,0,0|2,0,0]=3 1180 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,1,0,0,0,0|2,0,0]=3 1181 B10R1.21 CCCNCc1cn[nH]c1 207a_100020643023_100016992096 [0,1,0,0,0,0|3,0,0]=4 1182 B10R1.21 CCCNCc1cn[nH]c1 270004a_100020643023_100016992096 [0,1,0,0,0,0|3,0,0]=4 1183 B10R1.21 CCCNCc1cnc[nH]1 207a_100020643023_100000742939 [0,1,0,0,0,0|2,0,0]=3 1184 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,1,0,0,0,0|1,0,0]=2 1185 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,1,0,0,0,0|1,1,0]=3 1186 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,1,0,0,0,0|1,1,0]=3 1187 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,1,0,0,0,0|1,1,0]=3 1188 B10R1.21 CCCNCc1cocn1 270004a_100020643023_100000050382 [0,1,0,0,0,0|2,0,0]=3 1189 B10R1.21 CCCNCc1cscn1 207a_100020643023_100000743575 [0,1,0,0,0,0|2,0,0]=3 1190 B10R1.21 CCCNCc1cscn1 2230a_100015185402_100000210303 [0,1,0,0,0,0|2,0,0]=3 1191 B10R1.21 CCCNCc1cscn1 270004a_100020643023_100000743575 [0,1,0,0,0,0|2,0,0]=3 1192 B10R1.21 CCCNCc1csnn1 270004a_100020643023_100000738508 [0,1,0,0,0,0|3,0,0]=4 1193 B10R1.21 CCCNCc1ncc[nH]1 207a_100020643023_100000743867 [0,1,0,0,0,0|2,0,0]=3 1194 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,1,0,0,0,0|1,0,0]=2 1195 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,1,0,0,0,0|1,0,0]=2 1196 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,1,0,0,0,0|1,1,0]=3 1197 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,1,0,0,0,0|1,1,0]=3 1198 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,1,0,0,0,0|1,1,0]=3 1199 B10R1.21 CCCNCc1nnc[nH]1 2230a_200015183720_100000210303 [0,1,0,0,0,0|3,0,0]=4 1200 B10R1.21 CCCNN=C1C=CCC1 4a_100000740057_100000239507 [0,1,0,0,0,0|2,0,1]=4 1201 B10R1.21 CCCNN=C1CC=CC1 4a_100000740057_100000766571 [0,1,0,0,0,0|2,0,1]=4 1202 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,1,0,0,0,0|1,0,2]=4 1203 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [0,1,0,0,0,0|2,0,0]=3 1204 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,0,0,0|0,0,0]=1 1205 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,0,0,0|0,1,0]=2 1206 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,1,0,0,0,0|2,0,0]=3 1207 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,1,0,0,0,0|1,0,0]=2 1208 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,0,0,0|2,0,0]=3 1209 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,0,0,0|2,0,0]=3 1210 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,0,0,0|2,0,0]=3 1211 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,0,0,0|2,0,0]=3 1212 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,1,0,0,0,0|1,1,0]=3 1213 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [0,1,0,0,0,0|2,0,0]=3 1214 B10R1.21 CCCOCc1ncc[nH]1 34a_100000210258_100016991755 [0,1,0,0,0,0|2,0,0]=3 1215 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,1,0,0,0,0|1,0,0]=2 1216 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,1,0,0,0,0|1,0,0]=2 1217 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,1,0,0,0,0|1,1,0]=3 1218 B10R1.21 CCCOCc1ncon1 34a_100000210258_100000233494 [0,1,0,0,0,0|3,0,0]=4 1219 B10R1.21 CCCOCn1cccn1 34a_100000731028_100000210303 [0,1,0,0,0,0|2,0,0]=3 1220 B10R1.21 CCCOCn1cncn1 34a_100000210258_200020645497 [0,1,0,0,0,0|3,0,0]=4 1221 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,1,0,0,0,0|2,0,0]=3 1222 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,1,0,0,0,0|2,0,0]=3 1223 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,1,0,0,0,0|2,0,0]=3 1224 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,1,0,0,0,0|2,0,0]=3 1225 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,0,0,0|2,0,0]=3 1226 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,0,0,0|2,0,0]=3 1227 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,1,0,0,0,0|2,0,0]=3 1228 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,1,0,0,0,0|2,0,0]=3 1229 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,1,0,0,0,0|1,1,0]=3 1230 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,1,0,0,0,0|1,1,0]=3 1231 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,1,0,0,0,0|2,0,0]=3 1232 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,1,0,0,0,0|2,0,0]=3 1233 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,1,0,0,0,0|2,0,0]=3 1234 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,1,0,0,0,0|2,0,0]=3 1235 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,0,0,0|1,0,0]=2 1236 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,0,0,0|1,0,0]=2 1237 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,1,0,0,0,0|1,1,0]=3 1238 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,1,0,0,0,0|1,1,0]=3 1239 B10R1.21 CCCSCc1ncon1 62a_100000210303_100000233494 [0,1,0,0,0,0|3,0,0]=4 1240 B10R1.21 CCCSCc1ncon1 62a_100000233494_100000210303 [0,1,0,0,0,0|3,0,0]=4 1241 B10R1.21 CCCSCn1cncn1 62a_100000210303_200020645497 [0,1,0,0,0,0|3,0,0]=4 1242 B10R1.21 CCCSCn1cncn1 62a_200020645497_100000210303 [0,1,0,0,0,0|3,0,0]=4 1243 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,1,0,0,0,0|2,0,0]=3 1244 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,0,0,0|0,0,0]=1 1245 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,0,0,0|0,0,0]=1 1246 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,0,0,0|0,1,0]=2 1247 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,0,0,0|0,1,0]=2 1248 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,0,0,0|0,1,0]=2 1249 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,0,0,0|2,0,0]=3 1250 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,0,0,0|2,0,0]=3 1251 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [0,1,0,0,0,0|3,0,0]=4 1252 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [0,1,0,0,0,0|3,0,0]=4 1253 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,1,0,0,0,0|1,1,0]=3 1254 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,1,0,0,0,0|1,1,0]=3 1255 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,1,0,0,0,0|2,0,0]=3 1256 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,1,0,0,0,0|2,0,0]=3 1257 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [0,1,0,0,0,0|2,0,0]=3 1258 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [0,1,0,0,0,0|2,0,0]=3 1259 B10R1.21 CCNCCn1cncn1 2230a_100015525214_100000731791 [0,1,0,0,0,0|3,0,0]=4 1260 B10R1.21 CCNCCn1cncn1 2230a_200000738561_100000210202 [0,1,0,0,0,0|3,0,0]=4 1261 B10R1.21 CCNN=Cc1ccc[nH]1 4a_100000756455_100000211237 [0,1,0,0,0,0|2,0,1]=4 1262 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [0,1,0,0,0,0|1,0,1]=3 1263 B10R1.21 CCNN=Cc1cccs1 4a_100000756455_100000209959 [0,1,0,0,0,0|1,1,1]=4 1264 B10R1.21 CCNN=Cc1cnco1 4a_100000756455_100000064291 [0,1,0,0,0,0|2,0,1]=4 1265 B10R1.21 CCNN=Cc1ncco1 4a_100000756455_100000064290 [0,1,0,0,0,0|2,0,1]=4 1266 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [0,1,0,0,0,0|0,0,2]=3 1267 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [0,1,0,0,0,0|0,1,2]=4 1268 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [0,1,0,0,0,0|1,0,2]=4 1269 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [0,1,0,0,0,0|1,0,2]=4 1270 B10R1.21 CCOCCN1CC=CC1 269982a_100015195280_100011215890 [0,1,0,0,0,0|2,0,1]=4 1271 B10R1.21 CCOCC[n+]1ccsc1 34a_200000100414_100000210202 [0,1,0,0,0,0|3,0,0]=4 1272 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,1,0,0,0,0|0,1,0]=2 1273 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,1,0,0,0,0|0,1,0]=2 1274 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,1,0,0,0,0|0,1,0]=2 1275 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,1,0,0,0,0|2,0,0]=3 1276 B10R1.21 CCOCCc1cn[nH]c1 34a_100000766553_100000210202 [0,1,0,0,0,0|3,0,0]=4 1277 B10R1.21 CCOCCc1cnoc1 34a_100000732699_100000210202 [0,1,0,0,0,0|3,0,0]=4 1278 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [0,1,0,0,0,0|2,0,0]=3 1279 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,1,0,0,0,0|2,0,0]=3 1280 B10R1.21 CCOCCn1cccn1 34a_100000743371_100000210202 [0,1,0,0,0,0|2,0,0]=3 1281 B10R1.21 CCOCCn1cccn1 34a_100121572206_100015204718 [0,1,0,0,0,0|2,0,0]=3 1282 B10R1.21 CCOCCn1ccnc1 34a_100000719764_100000210202 [0,1,0,0,0,0|3,0,0]=4 1283 B10R1.21 CCOCCn1ccnn1 34a_100000080814_100000210202 [0,1,0,0,0,0|3,0,0]=4 1284 B10R1.21 CCOCCn1cncn1 34a_100000745309_100000210202 [0,1,0,0,0,0|3,0,0]=4 1285 B10R1.21 CCOCCn1cncn1 34a_100121572206_200000749826 [0,1,0,0,0,0|3,0,0]=4 1286 B10R1.21 CCOCSc1c[nH]cn1 62a_100000739092_100000756875 [0,1,0,0,0,0|3,0,0]=4 1287 B10R1.21 CCOCSc1c[nH]cn1 62a_100000756875_100000739092 [0,1,0,0,0,0|3,0,0]=4 1288 B10R1.21 CCOCSc1cc[nH]n1 62a_100000062575_100000739092 [0,1,0,0,0,0|3,0,0]=4 1289 B10R1.21 CCOCSc1cc[nH]n1 62a_100000739092_100000062575 [0,1,0,0,0,0|3,0,0]=4 1290 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,1,0,0,0,0|1,0,0]=2 1291 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,1,0,0,0,0|1,0,0]=2 1292 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [0,1,0,0,0,0|1,1,0]=3 1293 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [0,1,0,0,0,0|1,1,0]=3 1294 B10R1.21 CCOCSc1ccoc1 62a_100000739092_100011215275 [0,1,0,0,0,0|3,0,0]=4 1295 B10R1.21 CCOCSc1ccoc1 62a_100011215275_100000739092 [0,1,0,0,0,0|3,0,0]=4 1296 B10R1.21 CCOCSc1ccon1 62a_100000739092_100009818083 [0,1,0,0,0,0|3,0,0]=4 1297 B10R1.21 CCOCSc1ccon1 62a_100009818083_100000739092 [0,1,0,0,0,0|3,0,0]=4 1298 B10R1.21 CCOCSc1ccsc1 62a_100000738268_100000739092 [0,1,0,0,0,0|3,0,0]=4 1299 B10R1.21 CCOCSc1ccsc1 62a_100000739092_100000738268 [0,1,0,0,0,0|3,0,0]=4 1300 B10R1.21 CCOCSc1ccsn1 62a_100000739092_100009818082 [0,1,0,0,0,0|3,0,0]=4 1301 B10R1.21 CCOCSc1ccsn1 62a_100009818082_100000739092 [0,1,0,0,0,0|3,0,0]=4 1302 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [0,1,0,0,0,0|2,0,0]=3 1303 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [0,1,0,0,0,0|2,0,0]=3 1304 B10R1.21 CCOCSc1cncs1 62a_100000739092_100011934649 [0,1,0,0,0,0|2,1,0]=4 1305 B10R1.21 CCOCSc1cncs1 62a_100011934649_100000739092 [0,1,0,0,0,0|2,1,0]=4 1306 B10R1.21 CCOCSc1cscn1 62a_100000739092_100000751502 [0,1,0,0,0,0|3,0,0]=4 1307 B10R1.21 CCOCSc1cscn1 62a_100000751502_100000739092 [0,1,0,0,0,0|3,0,0]=4 1308 B10R1.21 CCOCSc1ncc[nH]1 62a_100000739092_100025796157 [0,1,0,0,0,0|3,0,0]=4 1309 B10R1.21 CCOCSc1ncc[nH]1 62a_100025796157_100000739092 [0,1,0,0,0,0|3,0,0]=4 1310 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [0,1,0,0,0,0|2,0,0]=3 1311 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [0,1,0,0,0,0|2,0,0]=3 1312 B10R1.21 CCOCSc1nccs1 62a_100000211983_100000739092 [0,1,0,0,0,0|2,1,0]=4 1313 B10R1.21 CCOCSc1nccs1 62a_100000739092_100000211983 [0,1,0,0,0,0|2,1,0]=4 1314 B10R1.21 CCSCCN1CC=CC1 269982a_100015195280_100000757381 [0,1,0,0,0,0|2,0,1]=4 1315 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,1,0,0,0,0|2,0,0]=3 1316 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,1,0,0,0,0|2,0,0]=3 1317 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,0,0,0|0,1,0]=2 1318 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,0,0,0|0,1,0]=2 1319 B10R1.21 CCSCCc1cn[nH]c1 62a_100000210202_100000743252 [0,1,0,0,0,0|3,0,0]=4 1320 B10R1.21 CCSCCc1cn[nH]c1 62a_100000743252_100000210202 [0,1,0,0,0,0|3,0,0]=4 1321 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,1,0,0,0,0|2,0,0]=3 1322 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,1,0,0,0,0|2,0,0]=3 1323 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [0,1,0,0,0,0|2,0,0]=3 1324 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [0,1,0,0,0,0|2,0,0]=3 1325 B10R1.21 CCSCCn1ccnc1 62a_100000210202_100000702546 [0,1,0,0,0,0|3,0,0]=4 1326 B10R1.21 CCSCCn1ccnc1 62a_100000702546_100000210202 [0,1,0,0,0,0|3,0,0]=4 1327 B10R1.21 CCSCCn1cncn1 62a_100000210202_100000731791 [0,1,0,0,0,0|3,0,0]=4 1328 B10R1.21 CCSCCn1cncn1 62a_100000731791_100000210202 [0,1,0,0,0,0|3,0,0]=4 1329 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,1,0,0,0,0|0,0,2]=3 1330 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,0,0,0|0,1,0]=2 1331 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,0,0,0|0,1,0]=2 1332 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,0,0,0|0,1,0]=2 1333 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,1,0,0,0,0|2,0,0]=3 1334 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,1,0,0,0,0|2,0,0]=3 1335 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,1,0,0,0,0|2,0,0]=3 1336 B10R1.21 CNCCCn1cccn1 2230a_106832991635_100000739983 [0,1,0,0,0,0|2,0,0]=3 1337 B10R1.21 CNCCCn1cccn1 7a_106832991635_100000739983 [0,1,0,0,0,0|2,0,0]=3 1338 B10R1.21 CNCCCn1ccnc1 2230a_106832991635_100000756272 [0,1,0,0,0,0|3,0,0]=4 1339 B10R1.21 CNCCCn1ccnc1 34a_100102657272_100000756272 [0,1,0,0,0,0|3,0,0]=4 1340 B10R1.21 CNCCCn1ccnc1 7a_106832991635_100000756272 [0,1,0,0,0,0|3,0,0]=4 1341 B10R1.21 CNCCCn1cncn1 2230a_106832991635_100102700105 [0,1,0,0,0,0|3,0,0]=4 1342 B10R1.21 CNCCCn1cncn1 34a_100102657272_100102700105 [0,1,0,0,0,0|3,0,0]=4 1343 B10R1.21 CNCCCn1cncn1 7a_106832991635_100102700105 [0,1,0,0,0,0|3,0,0]=4 1344 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [0,1,0,0,0,0|0,0,2]=3 1345 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,1,0,0,0,0|0,1,2]=4 1346 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [0,1,0,0,0,0|1,0,2]=4 1347 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [0,1,0,0,0,0|1,0,2]=4 1348 B10R1.21 COCCCN1CC=CC1 269982a_100015195280_100000740836 [0,1,0,0,0,0|2,0,1]=4 1349 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,0,0,0|0,1,0]=2 1350 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,0,0,0|0,1,0]=2 1351 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,0,0,0|0,1,0]=2 1352 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,0,0,0|2,0,0]=3 1353 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,0,0,0|2,0,0]=3 1354 B10R1.21 COCCCc1cnoc1 34a_100011738005_200000210301 [0,1,0,0,0,0|3,0,0]=4 1355 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,1,0,0,0,0|2,0,0]=3 1356 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,1,0,0,0,0|2,0,0]=3 1357 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,1,0,0,0,0|2,0,0]=3 1358 B10R1.21 COCCCn1cccn1 34a_100000753614_200000210301 [0,1,0,0,0,0|2,0,0]=3 1359 B10R1.21 COCCCn1ccnc1 34a_100000240236_200000210301 [0,1,0,0,0,0|3,0,0]=4 1360 B10R1.21 COCCCn1ccnc1 34a_100138415774_100000756272 [0,1,0,0,0,0|3,0,0]=4 1361 B10R1.21 COCCCn1cncn1 34a_100011305697_200000210301 [0,1,0,0,0,0|3,0,0]=4 1362 B10R1.21 COCCCn1cncn1 34a_100138415774_100102700105 [0,1,0,0,0,0|3,0,0]=4 1363 B10R1.21 COCCOc1ccsc1 34a_100000106738_100011201679 [0,1,0,0,0,0|3,0,0]=4 1364 B10R1.21 COCCOc1ccsc1 7a_100000106738_100000233755 [0,1,0,0,0,0|3,0,0]=4 1365 B10R1.21 COCCSc1c[nH]cn1 62a_100000233755_100000756875 [0,1,0,0,0,0|3,0,0]=4 1366 B10R1.21 COCCSc1c[nH]cn1 62a_100000756875_100000233755 [0,1,0,0,0,0|3,0,0]=4 1367 B10R1.21 COCCSc1cc[nH]n1 62a_100000062575_100000233755 [0,1,0,0,0,0|3,0,0]=4 1368 B10R1.21 COCCSc1cc[nH]n1 62a_100000233755_100000062575 [0,1,0,0,0,0|3,0,0]=4 1369 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,1,0,0,0,0|1,0,0]=2 1370 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,1,0,0,0,0|1,0,0]=2 1371 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,1,0,0,0,0|1,1,0]=3 1372 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,1,0,0,0,0|1,1,0]=3 1373 B10R1.21 COCCSc1ccoc1 62a_100000233755_100011215275 [0,1,0,0,0,0|3,0,0]=4 1374 B10R1.21 COCCSc1ccoc1 62a_100011215275_100000233755 [0,1,0,0,0,0|3,0,0]=4 1375 B10R1.21 COCCSc1ccon1 62a_100000233755_100009818083 [0,1,0,0,0,0|3,0,0]=4 1376 B10R1.21 COCCSc1ccon1 62a_100009818083_100000233755 [0,1,0,0,0,0|3,0,0]=4 1377 B10R1.21 COCCSc1ccsc1 62a_100000233755_100000738268 [0,1,0,0,0,0|3,0,0]=4 1378 B10R1.21 COCCSc1ccsc1 62a_100000738268_100000233755 [0,1,0,0,0,0|3,0,0]=4 1379 B10R1.21 COCCSc1ccsn1 62a_100000233755_100009818082 [0,1,0,0,0,0|3,0,0]=4 1380 B10R1.21 COCCSc1ccsn1 62a_100009818082_100000233755 [0,1,0,0,0,0|3,0,0]=4 1381 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [0,1,0,0,0,0|2,0,0]=3 1382 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [0,1,0,0,0,0|2,0,0]=3 1383 B10R1.21 COCCSc1cncs1 62a_100000233755_100011934649 [0,1,0,0,0,0|2,1,0]=4 1384 B10R1.21 COCCSc1cncs1 62a_100011934649_100000233755 [0,1,0,0,0,0|2,1,0]=4 1385 B10R1.21 COCCSc1cscn1 62a_100000233755_100000751502 [0,1,0,0,0,0|3,0,0]=4 1386 B10R1.21 COCCSc1cscn1 62a_100000751502_100000233755 [0,1,0,0,0,0|3,0,0]=4 1387 B10R1.21 COCCSc1ncc[nH]1 62a_100000233755_100025796157 [0,1,0,0,0,0|3,0,0]=4 1388 B10R1.21 COCCSc1ncc[nH]1 62a_100025796157_100000233755 [0,1,0,0,0,0|3,0,0]=4 1389 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [0,1,0,0,0,0|2,0,0]=3 1390 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [0,1,0,0,0,0|2,0,0]=3 1391 B10R1.21 COCCSc1nccs1 62a_100000211983_100000233755 [0,1,0,0,0,0|2,1,0]=4 1392 B10R1.21 COCCSc1nccs1 62a_100000233755_100000211983 [0,1,0,0,0,0|2,1,0]=4 1393 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,1,0,0,0,0|1,0,0]=2 1394 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,1,0,0,0,0|1,1,0]=3 1395 B10R1.21 COCNCc1ccoc1 2230a_100015206860_100000766300 [0,1,0,0,0,0|3,0,0]=4 1396 B10R1.21 COCNCc1ccsc1 2230a_100000186416_100000766300 [0,1,0,0,0,0|3,0,0]=4 1397 B10R1.21 COCNCc1cncs1 2230a_100016987365_100000766300 [0,1,0,0,0,0|2,1,0]=4 1398 B10R1.21 COCNCc1cscn1 2230a_100015185402_100000766300 [0,1,0,0,0,0|3,0,0]=4 1399 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [0,1,0,0,0,0|2,0,0]=3 1400 B10R1.21 COCNCc1nccs1 2230a_100000740555_100000766300 [0,1,0,0,0,0|2,1,0]=4 1401 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [0,1,0,0,0,0|3,0,0]=4 1402 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [0,1,0,0,0,0|3,0,0]=4 1403 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [0,1,0,0,0,0|3,0,0]=4 1404 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [0,1,0,0,0,0|3,0,0]=4 1405 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [0,1,0,0,0,0|3,0,0]=4 1406 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [0,1,0,0,0,0|3,0,0]=4 1407 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,1,0,0,0,0|3,0,0]=4 1408 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,1,0,0,0,0|3,0,0]=4 1409 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [0,1,0,0,0,0|2,1,0]=4 1410 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [0,1,0,0,0,0|2,1,0]=4 1411 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [0,1,0,0,0,0|3,0,0]=4 1412 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [0,1,0,0,0,0|3,0,0]=4 1413 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [0,1,0,0,0,0|3,0,0]=4 1414 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [0,1,0,0,0,0|3,0,0]=4 1415 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,1,0,0,0,0|2,0,0]=3 1416 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,1,0,0,0,0|2,0,0]=3 1417 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,1,0,0,0,0|2,1,0]=4 1418 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,1,0,0,0,0|2,1,0]=4 1419 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,1,0,0,0,0|0,1,0]=2 1420 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,1,0,0,0,0|0,1,0]=2 1421 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,1,0,0,0,0|2,0,0]=3 1422 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,1,0,0,0,0|2,0,0]=3 1423 B10R1.21 CSCCCn1cccn1 62a_100000739983_200000210301 [0,1,0,0,0,0|2,0,0]=3 1424 B10R1.21 CSCCCn1cccn1 62a_200000210301_100000739983 [0,1,0,0,0,0|2,0,0]=3 1425 B10R1.21 CSCCCn1ccnc1 62a_100000756272_200000210301 [0,1,0,0,0,0|3,0,0]=4 1426 B10R1.21 CSCCCn1ccnc1 62a_200000210301_100000756272 [0,1,0,0,0,0|3,0,0]=4 1427 B10R1.21 CSCCCn1cncn1 62a_100102700105_200000210301 [0,1,0,0,0,0|3,0,0]=4 1428 B10R1.21 CSCCCn1cncn1 62a_200000210301_100102700105 [0,1,0,0,0,0|3,0,0]=4 1429 B10R1.21 CSCCOc1ccsc1 34a_100000106738_100000212216 [0,1,0,0,0,0|3,0,0]=4 1430 B10R1.21 CSCCOc1ccsc1 7a_100000106738_100000212216 [0,1,0,0,0,0|3,0,0]=4 1431 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [0,1,0,0,0,0|3,0,0]=4 1432 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [0,1,0,0,0,0|3,0,0]=4 1433 B10R1.21 CSCCSc1cc[nH]n1 62a_100000062575_100000751147 [0,1,0,0,0,0|3,0,0]=4 1434 B10R1.21 CSCCSc1cc[nH]n1 62a_100000212216_100000062575 [0,1,0,0,0,0|3,0,0]=4 1435 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,1,0,0,0,0|1,0,0]=2 1436 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,1,0,0,0,0|1,0,0]=2 1437 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,1,0,0,0,0|1,1,0]=3 1438 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,1,0,0,0,0|1,1,0]=3 1439 B10R1.21 CSCCSc1ccoc1 62a_100000212216_100011215275 [0,1,0,0,0,0|3,0,0]=4 1440 B10R1.21 CSCCSc1ccoc1 62a_100011215275_100000751147 [0,1,0,0,0,0|3,0,0]=4 1441 B10R1.21 CSCCSc1ccon1 62a_100000212216_100009818083 [0,1,0,0,0,0|3,0,0]=4 1442 B10R1.21 CSCCSc1ccon1 62a_100009818083_100000751147 [0,1,0,0,0,0|3,0,0]=4 1443 B10R1.21 CSCCSc1ccsc1 62a_100000212216_100000738268 [0,1,0,0,0,0|3,0,0]=4 1444 B10R1.21 CSCCSc1ccsc1 62a_100000738268_100000751147 [0,1,0,0,0,0|3,0,0]=4 1445 B10R1.21 CSCCSc1ccsn1 62a_100000212216_100009818082 [0,1,0,0,0,0|3,0,0]=4 1446 B10R1.21 CSCCSc1ccsn1 62a_100009818082_100000751147 [0,1,0,0,0,0|3,0,0]=4 1447 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [0,1,0,0,0,0|2,0,0]=3 1448 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [0,1,0,0,0,0|2,0,0]=3 1449 B10R1.21 CSCCSc1cncs1 62a_100000212216_100011934649 [0,1,0,0,0,0|2,1,0]=4 1450 B10R1.21 CSCCSc1cncs1 62a_100011934649_100000751147 [0,1,0,0,0,0|2,1,0]=4 1451 B10R1.21 CSCCSc1cscn1 62a_100000212216_100000751502 [0,1,0,0,0,0|3,0,0]=4 1452 B10R1.21 CSCCSc1cscn1 62a_100000751502_100000751147 [0,1,0,0,0,0|3,0,0]=4 1453 B10R1.21 CSCCSc1ncc[nH]1 62a_100000212216_100025796157 [0,1,0,0,0,0|3,0,0]=4 1454 B10R1.21 CSCCSc1ncc[nH]1 62a_100025796157_100000751147 [0,1,0,0,0,0|3,0,0]=4 1455 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [0,1,0,0,0,0|2,0,0]=3 1456 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [0,1,0,0,0,0|2,0,0]=3 1457 B10R1.21 CSCCSc1nccs1 62a_100000211983_100000751147 [0,1,0,0,0,0|2,1,0]=4 1458 B10R1.21 CSCCSc1nccs1 62a_100000212216_100000211983 [0,1,0,0,0,0|2,1,0]=4 1459 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,1,0,0,0,0|1,0,0]=2 1460 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,1,0,0,0,0|1,0,0]=2 1461 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,1,0,0,0,0|1,1,0]=3 1462 B10R1.21 CSCNCc1ccoc1 2230a_100015206860_100011218213 [0,1,0,0,0,0|3,0,0]=4 1463 B10R1.21 CSCNCc1ccoc1 34a_100015206860_100011218213 [0,1,0,0,0,0|3,0,0]=4 1464 B10R1.21 CSCNCc1ccsc1 2230a_100000186416_100011218213 [0,1,0,0,0,0|3,0,0]=4 1465 B10R1.21 CSCNCc1ccsc1 34a_100000186416_100011218213 [0,1,0,0,0,0|3,0,0]=4 1466 B10R1.21 CSCNCc1cncs1 2230a_100016987365_100011218213 [0,1,0,0,0,0|2,1,0]=4 1467 B10R1.21 CSCNCc1cscn1 2230a_100015185402_100011218213 [0,1,0,0,0,0|3,0,0]=4 1468 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [0,1,0,0,0,0|2,0,0]=3 1469 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,1,0,0,0,0|2,1,0]=4 1470 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,1,0,0,0,0|1,0,0]=2 1471 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,1,0,0,0,0|1,1,0]=3 1472 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [0,1,0,0,0,0|2,0,0]=3 1473 B10R1.21 CSCOCc1ccoc1 34a_100011215357_100011218213 [0,1,0,0,0,0|3,0,0]=4 1474 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [0,1,0,0,0,0|3,0,0]=4 1475 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [0,1,0,0,0,0|2,0,0]=3 1476 B10R1.21 CSCOCn1cccn1 34a_100000731028_100011218213 [0,1,0,0,0,0|3,0,0]=4 1477 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [0,1,0,0,0,0|3,0,0]=4 1478 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [0,1,0,0,0,0|3,0,0]=4 1479 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [0,1,0,0,0,0|3,0,0]=4 1480 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [0,1,0,0,0,0|3,0,0]=4 1481 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [0,1,0,0,0,0|3,0,0]=4 1482 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [0,1,0,0,0,0|3,0,0]=4 1483 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [0,1,0,0,0,0|3,0,0]=4 1484 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [0,1,0,0,0,0|3,0,0]=4 1485 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [0,1,0,0,0,0|2,1,0]=4 1486 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [0,1,0,0,0,0|2,1,0]=4 1487 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [0,1,0,0,0,0|3,0,0]=4 1488 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [0,1,0,0,0,0|3,0,0]=4 1489 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [0,1,0,0,0,0|3,0,0]=4 1490 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [0,1,0,0,0,0|3,0,0]=4 1491 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,1,0,0,0,0|2,0,0]=3 1492 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,1,0,0,0,0|2,0,0]=3 1493 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,1,0,0,0,0|2,1,0]=4 1494 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,1,0,0,0,0|2,1,0]=4 1495 B10R1.21 FCCCCN1CC=CC1 269982a_100015195280_100000729493 [0,1,0,0,0,0|2,0,1]=4 1496 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [0,1,0,0,0,0|3,0,0]=4 1497 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [0,1,0,0,0,0|3,0,0]=4 1498 B10R1.21 FCCCSc1c[nH]cn1 62a_100000756875_100011934791 [0,1,0,0,0,0|3,0,0]=4 1499 B10R1.21 FCCCSc1c[nH]cn1 62a_100011934791_100000756875 [0,1,0,0,0,0|3,0,0]=4 1500 B10R1.21 FCCCSc1cc[nH]n1 62a_100000062575_100011934791 [0,1,0,0,0,0|3,0,0]=4 1501 B10R1.21 FCCCSc1cc[nH]n1 62a_100011934791_100000062575 [0,1,0,0,0,0|3,0,0]=4 1502 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,1,0,0,0,0|1,0,0]=2 1503 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,1,0,0,0,0|1,0,0]=2 1504 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,1,0,0,0,0|1,1,0]=3 1505 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,1,0,0,0,0|1,1,0]=3 1506 B10R1.21 FCCCSc1ccoc1 62a_100011215275_100011934791 [0,1,0,0,0,0|3,0,0]=4 1507 B10R1.21 FCCCSc1ccoc1 62a_100011934791_100011215275 [0,1,0,0,0,0|3,0,0]=4 1508 B10R1.21 FCCCSc1ccon1 62a_100009818083_100011934791 [0,1,0,0,0,0|3,0,0]=4 1509 B10R1.21 FCCCSc1ccon1 62a_100011934791_100009818083 [0,1,0,0,0,0|3,0,0]=4 1510 B10R1.21 FCCCSc1ccsc1 62a_100000738268_100011934791 [0,1,0,0,0,0|3,0,0]=4 1511 B10R1.21 FCCCSc1ccsc1 62a_100011934791_100000738268 [0,1,0,0,0,0|3,0,0]=4 1512 B10R1.21 FCCCSc1ccsn1 62a_100009818082_100011934791 [0,1,0,0,0,0|3,0,0]=4 1513 B10R1.21 FCCCSc1ccsn1 62a_100011934791_100009818082 [0,1,0,0,0,0|3,0,0]=4 1514 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [0,1,0,0,0,0|2,0,0]=3 1515 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [0,1,0,0,0,0|2,0,0]=3 1516 B10R1.21 FCCCSc1cncs1 62a_100011934649_100011934791 [0,1,0,0,0,0|2,1,0]=4 1517 B10R1.21 FCCCSc1cncs1 62a_100011934791_100011934649 [0,1,0,0,0,0|2,1,0]=4 1518 B10R1.21 FCCCSc1cscn1 62a_100000751502_100011934791 [0,1,0,0,0,0|3,0,0]=4 1519 B10R1.21 FCCCSc1cscn1 62a_100011934791_100000751502 [0,1,0,0,0,0|3,0,0]=4 1520 B10R1.21 FCCCSc1ncc[nH]1 62a_100011934791_100025796157 [0,1,0,0,0,0|3,0,0]=4 1521 B10R1.21 FCCCSc1ncc[nH]1 62a_100025796157_100011934791 [0,1,0,0,0,0|3,0,0]=4 1522 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [0,1,0,0,0,0|2,0,0]=3 1523 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [0,1,0,0,0,0|2,0,0]=3 1524 B10R1.21 FCCCSc1nccs1 62a_100000211983_100011934791 [0,1,0,0,0,0|2,1,0]=4 1525 B10R1.21 FCCCSc1nccs1 62a_100011934791_100000211983 [0,1,0,0,0,0|2,1,0]=4 1526 B10R1.21 FCCNCc1c[nH]cn1 34a_100000724931_100000707719 [0,1,0,0,0,0|3,0,0]=4 1527 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,1,0,0,0,0|1,0,0]=2 1528 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,1,0,0,0,0|1,0,0]=2 1529 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,1,0,0,0,0|1,1,0]=3 1530 B10R1.21 FCCNCc1ccn[nH]1 34a_100000724931_100000728653 [0,1,0,0,0,0|3,0,0]=4 1531 B10R1.21 FCCNCc1ccoc1 2230a_100015206860_100011217306 [0,1,0,0,0,0|3,0,0]=4 1532 B10R1.21 FCCNCc1ccoc1 34a_100015206860_100011217306 [0,1,0,0,0,0|3,0,0]=4 1533 B10R1.21 FCCNCc1ccon1 34a_100000724931_100000234950 [0,1,0,0,0,0|3,0,0]=4 1534 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [0,1,0,0,0,0|3,0,0]=4 1535 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [0,1,0,0,0,0|3,0,0]=4 1536 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [0,1,0,0,0,0|3,0,0]=4 1537 B10R1.21 FCCNCc1cncs1 2230a_100016987365_100011217306 [0,1,0,0,0,0|2,1,0]=4 1538 B10R1.21 FCCNCc1cncs1 34a_100000724931_100015185245 [0,1,0,0,0,0|2,1,0]=4 1539 B10R1.21 FCCNCc1cscn1 2230a_100015185402_100011217306 [0,1,0,0,0,0|3,0,0]=4 1540 B10R1.21 FCCNCc1cscn1 34a_100000724931_100000205941 [0,1,0,0,0,0|3,0,0]=4 1541 B10R1.21 FCCNCc1ncc[nH]1 34a_100000724931_100016991755 [0,1,0,0,0,0|3,0,0]=4 1542 B10R1.21 FCCNCc1ncco1 2230a_100016994969_100011217306 [0,1,0,0,0,0|2,0,0]=3 1543 B10R1.21 FCCNCc1ncco1 34a_100000724931_103436540062 [0,1,0,0,0,0|2,0,0]=3 1544 B10R1.21 FCCNCc1nccs1 2230a_100000740555_100011217306 [0,1,0,0,0,0|2,1,0]=4 1545 B10R1.21 FCCNCc1nccs1 34a_100000724931_100015184050 [0,1,0,0,0,0|2,1,0]=4 1546 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,1,0,0,0,0|1,0,0]=2 1547 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,1,0,0,0,0|1,1,0]=3 1548 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [0,1,0,0,0,0|2,0,0]=3 1549 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,1,0,0,0,0|3,0,0]=4 1550 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,1,0,0,0,0|3,0,0]=4 1551 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [0,1,0,0,0,0|2,0,0]=3 1552 B10R1.21 FCCOCn1cccn1 34a_100000731028_100011217306 [0,1,0,0,0,0|3,0,0]=4 1553 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [0,1,0,0,0,0|3,0,0]=4 1554 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [0,1,0,0,0,0|3,0,0]=4 1555 B10R1.21 FCCSCc1ccn[nH]1 62a_100000728653_100011217306 [0,1,0,0,0,0|3,0,0]=4 1556 B10R1.21 FCCSCc1ccn[nH]1 62a_100011217306_100000728653 [0,1,0,0,0,0|3,0,0]=4 1557 B10R1.21 FCCSCc1ccon1 62a_100000234950_100011217306 [0,1,0,0,0,0|3,0,0]=4 1558 B10R1.21 FCCSCc1ccon1 62a_100011217306_100000234950 [0,1,0,0,0,0|3,0,0]=4 1559 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,1,0,0,0,0|3,0,0]=4 1560 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,1,0,0,0,0|3,0,0]=4 1561 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [0,1,0,0,0,0|2,1,0]=4 1562 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [0,1,0,0,0,0|2,1,0]=4 1563 B10R1.21 FCCSCc1cscn1 62a_100000205941_100011217306 [0,1,0,0,0,0|3,0,0]=4 1564 B10R1.21 FCCSCc1cscn1 62a_100011217306_100000205941 [0,1,0,0,0,0|3,0,0]=4 1565 B10R1.21 FCCSCc1ncc[nH]1 62a_100011217306_100016991755 [0,1,0,0,0,0|3,0,0]=4 1566 B10R1.21 FCCSCc1ncc[nH]1 62a_100016991755_100011217306 [0,1,0,0,0,0|3,0,0]=4 1567 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [0,1,0,0,0,0|2,0,0]=3 1568 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [0,1,0,0,0,0|2,0,0]=3 1569 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [0,1,0,0,0,0|2,1,0]=4 1570 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [0,1,0,0,0,0|2,1,0]=4 1571 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,1,0,0,0,0|1,0,0]=2 1572 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,1,0,0,0,0|1,1,0]=3 1573 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,1,0,0,0,0|3,0,0]=4 1574 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,1,0,0,0,0|3,0,0]=4 1575 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,1,0,0,0,0|1,1,0]=3 1576 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,1,0,0,0,0|1,1,0]=3 1577 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,1,0,0,0,0|3,0,0]=4 1578 B10R1.21 FCOCCc1ncc[nH]1 34a_103549771195_100015361967 [0,1,0,0,0,0|3,0,0]=4 1579 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,1,0,0,0,0|3,0,0]=4 1580 B10R1.21 FCOCCn1cccn1 34a_100000743371_100015361967 [0,1,0,0,0,0|3,0,0]=4 1581 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [0,1,0,0,0,0|3,0,0]=4 1582 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [0,1,0,0,0,0|3,0,0]=4 1583 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,1,0,0,0,0|1,1,0]=3 1584 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,1,0,0,0,0|1,1,0]=3 1585 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,1,0,0,0,0|3,0,0]=4 1586 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,1,0,0,0,0|3,0,0]=4 1587 B10R1.21 FCSCCn1cccn1 62a_100015204718_100015361967 [0,1,0,0,0,0|3,0,0]=4 1588 B10R1.21 FCSCCn1cccn1 62a_100015361967_100000685285 [0,1,0,0,0,0|3,0,0]=4 1589 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [0,1,0,0,0,0|1,0,1]=3 1590 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [0,1,0,0,0,0|1,0,1]=3 1591 B10R1.21 N#CCCSc1cccs1 62a_100011215226_100011215356 [0,1,0,0,0,0|1,1,1]=4 1592 B10R1.21 N#CCCSc1cccs1 62a_100011215356_100011215226 [0,1,0,0,0,0|1,1,1]=4 1593 B10R1.21 N#CCCSc1cnco1 62a_100011215226_100020591547 [0,1,0,0,0,0|2,0,1]=4 1594 B10R1.21 N#CCCSc1cnco1 62a_100020591547_100011215226 [0,1,0,0,0,0|2,0,1]=4 1595 B10R1.21 N#CCCSc1ncco1 62a_100011215226_100011787736 [0,1,0,0,0,0|2,0,1]=4 1596 B10R1.21 N#CCCSc1ncco1 62a_100011787736_100011215226 [0,1,0,0,0,0|2,0,1]=4 1597 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [0,1,0,0,0,0|1,0,1]=3 1598 B10R1.21 N#CCNCc1cccs1 2230a_100000211653_100011215382 [0,1,0,0,0,0|1,1,1]=4 1599 B10R1.21 N#CCNCc1ncco1 2230a_100016994969_100011215382 [0,1,0,0,0,0|2,0,1]=4 1600 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [0,1,0,0,0,0|2,0,1]=4 1601 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [0,1,0,0,0,0|2,0,1]=4 1602 B10R1.21 N#CSCSc1ccco1 62a_100000211825_100009814098 [0,1,0,0,0,0|2,0,1]=4 1603 B10R1.21 N#CSCSc1ccco1 62a_100009814098_100000211825 [0,1,0,0,0,0|2,0,1]=4 1604 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,1,0,0,0,0|3,0,0]=4 1605 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,1,0,0,0,0|3,0,0]=4 1606 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,1,0,0,0,0|3,0,0]=4 1607 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,1,0,0,0,0|3,0,0]=4 1608 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,1,0,0,0,0|2,1,0]=4 1609 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,1,0,0,0,0|3,0,0]=4 1610 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,1,0,0,0,0|3,0,0]=4 1611 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,1,0,0,0,0|2,0,0]=3 1612 B10R1.21 NCCOCc1nccs1 34a_100000210304_100015184050 [0,1,0,0,0,0|2,1,0]=4 1613 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,1,0,0,0,0|1,0,1]=3 1614 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,1,0,0,0,0|1,0,1]=3 1615 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,1,0,0,0,0|1,1,1]=4 1616 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,1,0,0,0,0|2,0,1]=4 1617 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,0,0|1,0,1]=3 1618 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,0,0|1,1,1]=4 1619 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,1,0,0,0,0|2,0,1]=4 1620 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [0,1,0,0,0,0|2,0,1]=4 1621 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [0,1,0,0,0,0|2,0,1]=4 1622 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [0,1,0,0,0,0|2,0,1]=4 1623 B10R1.21 OCCCCN1CC=CC1 269982a_100015195280_100000210776 [0,1,0,0,0,0|2,0,1]=4 1624 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [0,1,0,0,0,0|3,0,0]=4 1625 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [0,1,0,0,0,0|3,0,0]=4 1626 B10R1.21 OCCCSc1c[nH]cn1 62a_100000756875_100011215043 [0,1,0,0,0,0|3,0,0]=4 1627 B10R1.21 OCCCSc1c[nH]cn1 62a_100011215043_100000756875 [0,1,0,0,0,0|3,0,0]=4 1628 B10R1.21 OCCCSc1cc[nH]n1 62a_100000062575_100011215043 [0,1,0,0,0,0|3,0,0]=4 1629 B10R1.21 OCCCSc1cc[nH]n1 62a_100011215043_100000062575 [0,1,0,0,0,0|3,0,0]=4 1630 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,1,0,0,0,0|1,0,0]=2 1631 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,1,0,0,0,0|1,0,0]=2 1632 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,1,0,0,0,0|1,1,0]=3 1633 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,1,0,0,0,0|1,1,0]=3 1634 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [0,1,0,0,0,0|3,0,0]=4 1635 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [0,1,0,0,0,0|3,0,0]=4 1636 B10R1.21 OCCCSc1ccon1 62a_100009818083_100011215043 [0,1,0,0,0,0|3,0,0]=4 1637 B10R1.21 OCCCSc1ccon1 62a_100011215043_100009818083 [0,1,0,0,0,0|3,0,0]=4 1638 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [0,1,0,0,0,0|3,0,0]=4 1639 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [0,1,0,0,0,0|3,0,0]=4 1640 B10R1.21 OCCCSc1ccsn1 62a_100009818082_100011215043 [0,1,0,0,0,0|3,0,0]=4 1641 B10R1.21 OCCCSc1ccsn1 62a_100011215043_100009818082 [0,1,0,0,0,0|3,0,0]=4 1642 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [0,1,0,0,0,0|2,0,0]=3 1643 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [0,1,0,0,0,0|2,0,0]=3 1644 B10R1.21 OCCCSc1cncs1 62a_100011215043_100011934649 [0,1,0,0,0,0|2,1,0]=4 1645 B10R1.21 OCCCSc1cncs1 62a_100011934649_100011215043 [0,1,0,0,0,0|2,1,0]=4 1646 B10R1.21 OCCCSc1cscn1 62a_100000751502_100011215043 [0,1,0,0,0,0|3,0,0]=4 1647 B10R1.21 OCCCSc1cscn1 62a_100011215043_100000751502 [0,1,0,0,0,0|3,0,0]=4 1648 B10R1.21 OCCCSc1ncc[nH]1 62a_100011215043_100025796157 [0,1,0,0,0,0|3,0,0]=4 1649 B10R1.21 OCCCSc1ncc[nH]1 62a_100025796157_100011215043 [0,1,0,0,0,0|3,0,0]=4 1650 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [0,1,0,0,0,0|2,0,0]=3 1651 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [0,1,0,0,0,0|2,0,0]=3 1652 B10R1.21 OCCCSc1nccs1 62a_100000211983_100011215043 [0,1,0,0,0,0|2,1,0]=4 1653 B10R1.21 OCCCSc1nccs1 62a_100011215043_100000211983 [0,1,0,0,0,0|2,1,0]=4 1654 B10R1.21 OCCNCc1c[nH]cn1 2230a_100016997473_100000707719 [0,1,0,0,0,0|3,0,0]=4 1655 B10R1.21 OCCNCc1c[nH]cn1 34a_100016990907_100000707719 [0,1,0,0,0,0|3,0,0]=4 1656 B10R1.21 OCCNCc1cc[nH]n1 207a_100000210304_100000738523 [0,1,0,0,0,0|3,0,0]=4 1657 B10R1.21 OCCNCc1cc[nH]n1 270004a_100000210304_100000738523 [0,1,0,0,0,0|3,0,0]=4 1658 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,1,0,0,0,0|1,0,0]=2 1659 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,1,0,0,0,0|1,0,0]=2 1660 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,1,0,0,0,0|1,0,0]=2 1661 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,1,0,0,0,0|1,0,0]=2 1662 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,1,0,0,0,0|1,1,0]=3 1663 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,1,0,0,0,0|1,1,0]=3 1664 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,1,0,0,0,0|1,1,0]=3 1665 B10R1.21 OCCNCc1ccn[nH]1 2230a_100016997473_100000728653 [0,1,0,0,0,0|3,0,0]=4 1666 B10R1.21 OCCNCc1ccn[nH]1 34a_100016990907_100000728653 [0,1,0,0,0,0|3,0,0]=4 1667 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,1,0,0,0,0|3,0,0]=4 1668 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,1,0,0,0,0|3,0,0]=4 1669 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,1,0,0,0,0|3,0,0]=4 1670 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,1,0,0,0,0|3,0,0]=4 1671 B10R1.21 OCCNCc1ccon1 2230a_100016997473_100000234950 [0,1,0,0,0,0|3,0,0]=4 1672 B10R1.21 OCCNCc1ccon1 34a_100016990907_100000234950 [0,1,0,0,0,0|3,0,0]=4 1673 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,1,0,0,0,0|3,0,0]=4 1674 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,1,0,0,0,0|3,0,0]=4 1675 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,1,0,0,0,0|3,0,0]=4 1676 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,1,0,0,0,0|3,0,0]=4 1677 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,1,0,0,0,0|3,0,0]=4 1678 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,1,0,0,0,0|3,0,0]=4 1679 B10R1.21 OCCNCc1cnc[nH]1 207a_100000210304_100000742939 [0,1,0,0,0,0|3,0,0]=4 1680 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [0,1,0,0,0,0|2,0,0]=3 1681 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [0,1,0,0,0,0|2,1,0]=4 1682 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [0,1,0,0,0,0|2,1,0]=4 1683 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [0,1,0,0,0,0|2,1,0]=4 1684 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [0,1,0,0,0,0|2,1,0]=4 1685 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [0,1,0,0,0,0|2,1,0]=4 1686 B10R1.21 OCCNCc1cocn1 270004a_100000210304_100000050382 [0,1,0,0,0,0|3,0,0]=4 1687 B10R1.21 OCCNCc1cscn1 207a_100000210304_100000743575 [0,1,0,0,0,0|3,0,0]=4 1688 B10R1.21 OCCNCc1cscn1 2230a_100015185402_100000211926 [0,1,0,0,0,0|3,0,0]=4 1689 B10R1.21 OCCNCc1cscn1 2230a_100016997473_100000205941 [0,1,0,0,0,0|3,0,0]=4 1690 B10R1.21 OCCNCc1cscn1 270004a_100000210304_100000743575 [0,1,0,0,0,0|3,0,0]=4 1691 B10R1.21 OCCNCc1cscn1 34a_100016990907_100000205941 [0,1,0,0,0,0|3,0,0]=4 1692 B10R1.21 OCCNCc1ncc[nH]1 207a_100000210304_100000743867 [0,1,0,0,0,0|3,0,0]=4 1693 B10R1.21 OCCNCc1ncc[nH]1 2230a_100016997473_100016991755 [0,1,0,0,0,0|3,0,0]=4 1694 B10R1.21 OCCNCc1ncc[nH]1 34a_100016990907_100016991755 [0,1,0,0,0,0|3,0,0]=4 1695 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [0,1,0,0,0,0|2,0,0]=3 1696 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [0,1,0,0,0,0|2,0,0]=3 1697 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [0,1,0,0,0,0|2,0,0]=3 1698 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [0,1,0,0,0,0|2,0,0]=3 1699 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [0,1,0,0,0,0|2,1,0]=4 1700 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [0,1,0,0,0,0|2,1,0]=4 1701 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [0,1,0,0,0,0|2,1,0]=4 1702 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [0,1,0,0,0,0|2,1,0]=4 1703 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [0,1,0,0,0,0|2,1,0]=4 1704 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,1,0,0,0,0|1,0,0]=2 1705 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,1,0,0,0,0|1,1,0]=3 1706 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,1,0,0,0,0|2,0,0]=3 1707 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1708 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,1,0,0,0,0|3,0,0]=4 1709 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,1,0,0,0,0|2,0,0]=3 1710 B10R1.21 OCCOCn1cccn1 34a_100000731028_100000211926 [0,1,0,0,0,0|3,0,0]=4 1711 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [0,1,0,0,0,0|3,0,0]=4 1712 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [0,1,0,0,0,0|3,0,0]=4 1713 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [0,1,0,0,0,0|3,0,0]=4 1714 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [0,1,0,0,0,0|3,0,0]=4 1715 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [0,1,0,0,0,0|3,0,0]=4 1716 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [0,1,0,0,0,0|3,0,0]=4 1717 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,1,0,0,0,0|3,0,0]=4 1718 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,1,0,0,0,0|3,0,0]=4 1719 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,1,0,0,0,0|2,1,0]=4 1720 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,1,0,0,0,0|2,1,0]=4 1721 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [0,1,0,0,0,0|3,0,0]=4 1722 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [0,1,0,0,0,0|3,0,0]=4 1723 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [0,1,0,0,0,0|3,0,0]=4 1724 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [0,1,0,0,0,0|3,0,0]=4 1725 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,1,0,0,0,0|2,0,0]=3 1726 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,1,0,0,0,0|2,0,0]=3 1727 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,1,0,0,0,0|2,1,0]=4 1728 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,1,0,0,0,0|2,1,0]=4 1729 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,0,0,0|0,1,0]=2 1730 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,0,0,0|0,1,0]=2 1731 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,0,0,0|2,0,0]=3 1732 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,0,0,0|2,0,0]=3 1733 B10R1.21 [13CH3]OCCCc1cnoc1 34a_100011738005_200025704644 [0,1,0,0,0,0|3,0,0]=4 1734 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,1,0,0,0,0|2,0,0]=3 1735 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,1,0,0,0,0|2,0,0]=3 1736 B10R1.21 [13CH3]OCCCn1cccn1 34a_100000753614_200025704644 [0,1,0,0,0,0|2,0,0]=3 1737 B10R1.21 [13CH3]OCCCn1ccnc1 34a_100000240236_200025704644 [0,1,0,0,0,0|3,0,0]=4 1738 B10R1.21 [13CH3]OCCCn1cncn1 34a_100011305697_200025704644 [0,1,0,0,0,0|3,0,0]=4 1739 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,1,0,0,0,0|0,1,0]=2 1740 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,1,0,0,0,0|0,1,0]=2 1741 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,1,0,0,0,0|2,0,0]=3 1742 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,1,0,0,0,0|2,0,0]=3 1743 B10R1.21 [13CH3]SCCCn1cccn1 62a_100000739983_200025704644 [0,1,0,0,0,0|2,0,0]=3 1744 B10R1.21 [13CH3]SCCCn1cccn1 62a_200025704644_100000739983 [0,1,0,0,0,0|2,0,0]=3 1745 B10R1.21 [13CH3]SCCCn1ccnc1 62a_100000756272_200025704644 [0,1,0,0,0,0|3,0,0]=4 1746 B10R1.21 [13CH3]SCCCn1ccnc1 62a_200025704644_100000756272 [0,1,0,0,0,0|3,0,0]=4 1747 B10R1.21 [13CH3]SCCCn1cncn1 62a_100102700105_200025704644 [0,1,0,0,0,0|3,0,0]=4 1748 B10R1.21 [13CH3]SCCCn1cncn1 62a_200025704644_100102700105 [0,1,0,0,0,0|3,0,0]=4 1749 B10R1.27 C#CC(C)Sc1ccco1 62a_200000035995_100009814098 [0,1,0,0,0,0|1,0,2]=4 1750 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,1,0,0,0,0|1,0,2]=4 1751 B10R1.27 CC(C#N)Sc1ccco1 62a_100000703298_100009814098 [0,1,0,0,0,0|2,0,1]=4 1752 B10R1.27 CC(C#N)Sc1ccco1 62a_100009814098_100000703298 [0,1,0,0,0,0|2,0,1]=4 1753 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,1,0,0,0,0|2,0,0]=3 1754 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,1,0,0,0,0|2,1,0]=4 1755 B10R1.27 CC(CO)Sc1cnco1 62a_100012180447_100020591547 [0,1,0,0,0,0|3,0,0]=4 1756 B10R1.27 CC(CO)Sc1ncco1 62a_100012180447_100011787736 [0,1,0,0,0,0|3,0,0]=4 1757 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,1,0,0,0,0|1,0,0]=2 1758 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,1,0,0,0,0|1,0,0]=2 1759 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,1,0,0,0,0|1,1,0]=3 1760 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1761 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1762 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [0,1,0,0,0,0|3,0,0]=4 1763 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,0,0|2,0,1]=4 1764 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,0,0|2,0,1]=4 1765 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,0,0|1,0,1]=3 1766 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,0|0,0,1]=2 1767 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,0,0|0,1,1]=3 1768 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,1,0,0,0,0|2,0,1]=4 1769 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,1,0,0,0,0|2,0,1]=4 1770 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,0,0|2,0,1]=4 1771 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,1,0,0,0,0|2,0,1]=4 1772 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,0,0|2,0,1]=4 1773 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,0,0|2,0,1]=4 1774 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,1,0,0,0,0|1,1,1]=4 1775 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,0,0|2,0,1]=4 1776 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,0,0|2,0,1]=4 1777 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,1,0,0,0,0|1,0,1]=3 1778 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,0,0|1,1,1]=4 1779 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,0,0|2,0,1]=4 1780 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,1,0,0,0,0|2,0,1]=4 1781 B10R1.27 CCC(C)CN1CC=CC1 269982a_100015195280_100000748023 [0,1,0,0,0,0|2,0,1]=4 1782 B10R1.27 CCC(C)Oc1ccsc1 34a_100000106738_100011215416 [0,1,0,0,0,0|3,0,0]=4 1783 B10R1.27 CCC(C)Oc1ccsc1 7a_100000106738_100000758301 [0,1,0,0,0,0|3,0,0]=4 1784 B10R1.27 CCC(C)Sc1c[nH]cn1 62a_100000756875_100000758301 [0,1,0,0,0,0|3,0,0]=4 1785 B10R1.27 CCC(C)Sc1c[nH]cn1 62a_100000758301_100000756875 [0,1,0,0,0,0|3,0,0]=4 1786 B10R1.27 CCC(C)Sc1cc[nH]n1 62a_100000062575_100000758301 [0,1,0,0,0,0|3,0,0]=4 1787 B10R1.27 CCC(C)Sc1cc[nH]n1 62a_100000758301_100000062575 [0,1,0,0,0,0|3,0,0]=4 1788 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,1,0,0,0,0|1,0,0]=2 1789 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,1,0,0,0,0|1,0,0]=2 1790 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,1,0,0,0,0|1,1,0]=3 1791 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,1,0,0,0,0|1,1,0]=3 1792 B10R1.27 CCC(C)Sc1ccoc1 62a_100000758301_100011215275 [0,1,0,0,0,0|3,0,0]=4 1793 B10R1.27 CCC(C)Sc1ccoc1 62a_100011215275_100000758301 [0,1,0,0,0,0|3,0,0]=4 1794 B10R1.27 CCC(C)Sc1ccon1 62a_100000758301_100009818083 [0,1,0,0,0,0|3,0,0]=4 1795 B10R1.27 CCC(C)Sc1ccon1 62a_100009818083_100000758301 [0,1,0,0,0,0|3,0,0]=4 1796 B10R1.27 CCC(C)Sc1ccsc1 62a_100000738268_100000758301 [0,1,0,0,0,0|3,0,0]=4 1797 B10R1.27 CCC(C)Sc1ccsc1 62a_100000758301_100000738268 [0,1,0,0,0,0|3,0,0]=4 1798 B10R1.27 CCC(C)Sc1ccsn1 62a_100000758301_100009818082 [0,1,0,0,0,0|3,0,0]=4 1799 B10R1.27 CCC(C)Sc1ccsn1 62a_100009818082_100000758301 [0,1,0,0,0,0|3,0,0]=4 1800 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [0,1,0,0,0,0|2,0,0]=3 1801 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [0,1,0,0,0,0|2,0,0]=3 1802 B10R1.27 CCC(C)Sc1cncs1 62a_100000758301_100011934649 [0,1,0,0,0,0|2,1,0]=4 1803 B10R1.27 CCC(C)Sc1cncs1 62a_100011934649_100000758301 [0,1,0,0,0,0|2,1,0]=4 1804 B10R1.27 CCC(C)Sc1cscn1 62a_100000751502_100000758301 [0,1,0,0,0,0|3,0,0]=4 1805 B10R1.27 CCC(C)Sc1cscn1 62a_100000758301_100000751502 [0,1,0,0,0,0|3,0,0]=4 1806 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100000758301_100025796157 [0,1,0,0,0,0|3,0,0]=4 1807 B10R1.27 CCC(C)Sc1ncc[nH]1 62a_100025796157_100000758301 [0,1,0,0,0,0|3,0,0]=4 1808 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [0,1,0,0,0,0|2,0,0]=3 1809 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [0,1,0,0,0,0|2,0,0]=3 1810 B10R1.27 CCC(C)Sc1nccs1 62a_100000211983_100000758301 [0,1,0,0,0,0|2,1,0]=4 1811 B10R1.27 CCC(C)Sc1nccs1 62a_100000758301_100000211983 [0,1,0,0,0,0|2,1,0]=4 1812 B10R1.27 CCC(O)CN1CC=CC1 269982a_100015195280_100011218378 [0,1,0,0,0,0|2,0,1]=4 1813 B10R1.27 CCN(C)Cc1c[nH]cn1 2230a_100000225621_100000707719 [0,1,0,0,0,0|3,0,0]=4 1814 B10R1.27 CCN(C)Cc1c[nH]cn1 269982a_100000225621_100000707719 [0,1,0,0,0,0|3,0,0]=4 1815 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,1,0,0,0,0|1,0,0]=2 1816 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,1,0,0,0,0|1,0,0]=2 1817 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,1,0,0,0,0|1,0,0]=2 1818 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,1,0,0,0,0|1,0,0]=2 1819 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,1,0,0,0,0|1,1,0]=3 1820 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,1,0,0,0,0|1,1,0]=3 1821 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,1,0,0,0,0|1,1,0]=3 1822 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,1,0,0,0,0|1,1,0]=3 1823 B10R1.27 CCN(C)Cc1ccn[nH]1 2230a_100000225621_100000728653 [0,1,0,0,0,0|3,0,0]=4 1824 B10R1.27 CCN(C)Cc1ccn[nH]1 269982a_100000225621_100000728653 [0,1,0,0,0,0|3,0,0]=4 1825 B10R1.27 CCN(C)Cc1ccon1 2230a_100000225621_100000234950 [0,1,0,0,0,0|3,0,0]=4 1826 B10R1.27 CCN(C)Cc1ccon1 2230a_100000757864_100000210202 [0,1,0,0,0,0|3,0,0]=4 1827 B10R1.27 CCN(C)Cc1ccon1 269982a_100000225621_100000234950 [0,1,0,0,0,0|3,0,0]=4 1828 B10R1.27 CCN(C)Cc1ccon1 269982a_100000757864_100000204670 [0,1,0,0,0,0|3,0,0]=4 1829 B10R1.27 CCN(C)Cc1ccsc1 2230a_100000225621_100011261437 [0,1,0,0,0,0|3,0,0]=4 1830 B10R1.27 CCN(C)Cc1ccsc1 2230a_100020654213_100000210202 [0,1,0,0,0,0|3,0,0]=4 1831 B10R1.27 CCN(C)Cc1ccsc1 269982a_100000225621_100011233845 [0,1,0,0,0,0|3,0,0]=4 1832 B10R1.27 CCN(C)Cc1ccsc1 269982a_100020654213_100000204670 [0,1,0,0,0,0|3,0,0]=4 1833 B10R1.27 CCN(C)Cc1cncs1 2230a_100000225621_100015185245 [0,1,0,0,0,0|2,1,0]=4 1834 B10R1.27 CCN(C)Cc1cncs1 269982a_100000225621_100015185245 [0,1,0,0,0,0|2,1,0]=4 1835 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225621_100000205941 [0,1,0,0,0,0|3,0,0]=4 1836 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225794_100000210202 [0,1,0,0,0,0|3,0,0]=4 1837 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225621_100000205941 [0,1,0,0,0,0|3,0,0]=4 1838 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225794_100000204670 [0,1,0,0,0,0|3,0,0]=4 1839 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100000225621_100016991755 [0,1,0,0,0,0|3,0,0]=4 1840 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210202 [0,1,0,0,0,0|3,0,0]=4 1841 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100000225621_100016991755 [0,1,0,0,0,0|3,0,0]=4 1842 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204670 [0,1,0,0,0,0|3,0,0]=4 1843 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,1,0,0,0,0|2,0,0]=3 1844 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,1,0,0,0,0|2,0,0]=3 1845 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,1,0,0,0,0|2,1,0]=4 1846 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,1,0,0,0,0|2,1,0]=4 1847 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,1,0,0,0,0|2,1,0]=4 1848 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,1,0,0,0,0|2,1,0]=4 1849 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,1,0,0,0,0|1,0,0]=2 1850 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,1,0,0,0,0|1,0,0]=2 1851 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,1,0,0,0,0|1,1,0]=3 1852 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,1,0,0,0,0|1,1,0]=3 1853 B10R1.27 CC[C@H](C)CN1CC=CC1 269982a_100015195280_100009816398 [0,1,0,0,0,0|2,0,1]=4 1854 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,1,0,0,0,0|2,0,0]=3 1855 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,1,0,0,0,0|2,1,0]=4 1856 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,0,0|2,0,1]=4 1857 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,0,0|2,0,1]=4 1858 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,0,0|2,0,1]=4 1859 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,0|1,0,1]=3 1860 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,0|1,0,1]=3 1861 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,0,0|1,1,1]=4 1862 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,0,0|1,1,1]=4 1863 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,0,0|1,1,1]=4 1864 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,0,0|1,0,0]=2 1865 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,1,0,0,0,0|1,1,0]=3 1866 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1867 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1868 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [0,1,0,0,0,0|3,0,0]=4 1869 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,1,0,0,0,0|1,0,0]=2 1870 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,1,0,0,0,0|1,0,0]=2 1871 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,1,0,0,0,0|2,0,0]=3 1872 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,1,0,0,0,0|2,0,0]=3 1873 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [0,1,0,0,0,0|2,1,0]=4 1874 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [0,1,0,0,0,0|2,1,0]=4 1875 B10R1.27 COC(C)Sc1cnco1 62a_100009879195_100020591547 [0,1,0,0,0,0|3,0,0]=4 1876 B10R1.27 COC(C)Sc1cnco1 62a_100020591547_100009879195 [0,1,0,0,0,0|3,0,0]=4 1877 B10R1.27 COC(C)Sc1ncco1 62a_100009879195_100011787736 [0,1,0,0,0,0|3,0,0]=4 1878 B10R1.27 COC(C)Sc1ncco1 62a_100011787736_100009879195 [0,1,0,0,0,0|3,0,0]=4 1879 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,1,0,0,0,0|2,0,0]=3 1880 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,1,0,0,0,0|2,0,0]=3 1881 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,1,0,0,0,0|2,1,0]=4 1882 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,1,0,0,0,0|2,1,0]=4 1883 B10R1.27 C[C@H](CO)Sc1cnco1 62a_100016084084_100020591547 [0,1,0,0,0,0|3,0,0]=4 1884 B10R1.27 C[C@H](CO)Sc1cnco1 62a_100020591547_100016084084 [0,1,0,0,0,0|3,0,0]=4 1885 B10R1.27 C[C@H](CO)Sc1ncco1 62a_100011787736_100016084084 [0,1,0,0,0,0|3,0,0]=4 1886 B10R1.27 C[C@H](CO)Sc1ncco1 62a_100016084084_100011787736 [0,1,0,0,0,0|3,0,0]=4 1887 B10R1.27 N#CC(F)Sc1ccco1 62a_100009814098_200000117898 [0,1,0,0,0,0|2,0,1]=4 1888 B10R1.27 N#CC(F)Sc1ccco1 62a_200000117898_100009814098 [0,1,0,0,0,0|2,0,1]=4 1889 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,0,0|2,0,1]=4 1890 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,0|1,0,1]=3 1891 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,0,0|1,1,1]=4 1892 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,0|2,0,1]=4 1893 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,1,0,0,0,0|1,0,2]=4 1894 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,1,0,0,0,0|1,0,2]=4 1895 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,1,0,0,0,0|1,0,2]=4 1896 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,1,0,0,0,0|1,0,2]=4 1897 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,1,0,0,0,0|1,0,2]=4 1898 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,1,0,0,0,0|1,0,2]=4 1899 B10R1.29 CCCCc1[nH]cnc1Cl 271570a_100020621405_100010200774 [0,1,0,0,0,0|2,0,0]=3 1900 B10R1.29 CCCCc1c[nH]nc1Br 271570a_100020621405_100011012988 [0,1,0,0,0,0|3,0,0]=4 1901 B10R1.29 CCCCc1c[nH]nc1C 271570a_100020621405_100011912673 [0,1,0,0,0,0|3,0,0]=4 1902 B10R1.29 CCCCc1c[nH]nc1F 271570a_100020621405_100015597042 [0,1,0,0,0,0|3,0,0]=4 1903 B10R1.29 CCCCc1c[nH]nc1N 271570a_100020621405_100000717100 [0,1,0,0,0,0|3,0,0]=4 1904 B10R1.29 CCCCc1ccnn1C 271570a_100020621405_100000688441 [0,1,0,0,0,0|2,0,0]=3 1905 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,0,0,0|2,0,0]=3 1906 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,0,0,0|2,0,0]=3 1907 B10R1.29 CCCCc1cncn1C 271570a_100020621405_100009814087 [0,1,0,0,0,0|2,0,0]=3 1908 B10R1.29 CCCCc1cnoc1C 271570a_100020621405_100009872056 [0,1,0,0,0,0|3,0,0]=4 1909 B10R1.29 CCCCc1conc1N 271570a_100020621405_100012597345 [0,1,0,0,0,0|3,0,0]=4 1910 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,1,0,0,0,0|2,0,0]=3 1911 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,0,0,0|2,0,0]=3 1912 B10R1.29 CCCCc1n[nH]cc1Br 271570a_100020621405_100015839836 [0,1,0,0,0,0|2,0,0]=3 1913 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [0,1,0,0,0,0|2,0,0]=3 1914 B10R1.29 CCCCc1n[nH]cc1N 271570a_100020621405_100010894806 [0,1,0,0,0,0|2,0,0]=3 1915 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [0,1,0,0,0,0|2,0,0]=3 1916 B10R1.29 CCCCc1nccn1C 271570a_100020621405_100000707724 [0,1,0,0,0,0|2,0,0]=3 1917 B10R1.29 CCCCc1ncnn1C 271570a_100020621405_100000732653 [0,1,0,0,0,0|3,0,0]=4 1918 B10R1.29 CCCCc1ncsc1C 271570a_100020621405_100000732656 [0,1,0,0,0,0|2,0,0]=3 1919 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,0,0,0|0,1,0]=2 1920 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,0,0,0|0,1,0]=2 1921 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [0,1,0,0,0,0|1,1,0]=3 1922 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,0,0,0|2,0,0]=3 1923 B10R1.29 CCCOc1ccnn1C 34a_100020632926_100000210303 [0,1,0,0,0,0|3,0,0]=4 1924 B10R1.29 CCCSc1[nH]cnc1Cl 62a_100000210303_100010200774 [0,1,0,0,0,0|3,0,0]=4 1925 B10R1.29 CCCSc1[nH]cnc1Cl 62a_100010200774_100000210303 [0,1,0,0,0,0|3,0,0]=4 1926 B10R1.29 CCCSc1ccnn1C 62a_100000210303_100000688441 [0,1,0,0,0,0|3,0,0]=4 1927 B10R1.29 CCCSc1ccnn1C 62a_100000688441_100000210303 [0,1,0,0,0,0|3,0,0]=4 1928 B10R1.29 CCCSc1ccsc1C 62a_100000210303_100000684487 [0,1,0,0,0,0|3,0,0]=4 1929 B10R1.29 CCCSc1ccsc1C 62a_100000684487_100000210303 [0,1,0,0,0,0|3,0,0]=4 1930 B10R1.29 CCCSc1cncn1C 62a_100000210303_100009814087 [0,1,0,0,0,0|3,0,0]=4 1931 B10R1.29 CCCSc1cncn1C 62a_100009814087_100000210303 [0,1,0,0,0,0|3,0,0]=4 1932 B10R1.29 CCCSc1cscc1Br 62a_100000210303_100010143727 [0,1,0,0,0,0|3,0,0]=4 1933 B10R1.29 CCCSc1cscc1Br 62a_100010143727_100000210303 [0,1,0,0,0,0|3,0,0]=4 1934 B10R1.29 CCCSc1cscc1C 62a_100000210303_100000759966 [0,1,0,0,0,0|3,0,0]=4 1935 B10R1.29 CCCSc1cscc1C 62a_100000759966_100000210303 [0,1,0,0,0,0|3,0,0]=4 1936 B10R1.29 CCCSc1n[nH]cc1Br 62a_100000210303_100015839836 [0,1,0,0,0,0|3,0,0]=4 1937 B10R1.29 CCCSc1n[nH]cc1Br 62a_100015839836_100000210303 [0,1,0,0,0,0|3,0,0]=4 1938 B10R1.29 CCCSc1n[nH]cc1C 62a_100000210303_100009871783 [0,1,0,0,0,0|3,0,0]=4 1939 B10R1.29 CCCSc1n[nH]cc1C 62a_100009871783_100000210303 [0,1,0,0,0,0|3,0,0]=4 1940 B10R1.29 CCCSc1n[nH]cc1N 62a_100000210303_100010894806 [0,1,0,0,0,0|3,0,0]=4 1941 B10R1.29 CCCSc1n[nH]cc1N 62a_100010894806_100000210303 [0,1,0,0,0,0|3,0,0]=4 1942 B10R1.29 CCCSc1nc[nH]c1C 62a_100000210303_100010186451 [0,1,0,0,0,0|3,0,0]=4 1943 B10R1.29 CCCSc1nc[nH]c1C 62a_100010186451_100000210303 [0,1,0,0,0,0|3,0,0]=4 1944 B10R1.29 CCCSc1nccn1C 62a_100000210303_100000707724 [0,1,0,0,0,0|3,0,0]=4 1945 B10R1.29 CCCSc1nccn1C 62a_100000707724_100000210303 [0,1,0,0,0,0|3,0,0]=4 1946 B10R1.29 CCCSc1ncsc1C 62a_100000210303_100000732656 [0,1,0,0,0,0|3,0,0]=4 1947 B10R1.29 CCCSc1ncsc1C 62a_100000732656_100000210303 [0,1,0,0,0,0|3,0,0]=4 1948 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [0,1,0,0,0,0|1,1,0]=3 1949 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [0,1,0,0,0,0|1,1,0]=3 1950 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [0,1,0,0,0,0|1,1,0]=3 1951 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [0,1,0,0,0,0|1,1,0]=3 1952 B10R1.29 CCCSc1scnc1C 62a_100000210303_100009817116 [0,1,0,0,0,0|2,1,0]=4 1953 B10R1.29 CCCSc1scnc1C 62a_100009817116_100000210303 [0,1,0,0,0,0|2,1,0]=4 1954 B10R1.29 CCNCc1[nH]ncc1Br 207a_100015525214_100000732679 [0,1,0,0,0,0|3,0,0]=4 1955 B10R1.29 CCNCc1[nH]ncc1Br 270004a_100015525214_100000732679 [0,1,0,0,0,0|3,0,0]=4 1956 B10R1.29 CCNCc1[nH]ncc1C 207a_100015525214_100000708485 [0,1,0,0,0,0|3,0,0]=4 1957 B10R1.29 CCNCc1[nH]ncc1C 270004a_100015525214_100000708485 [0,1,0,0,0,0|3,0,0]=4 1958 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,1,0,0,0,0|2,0,0]=3 1959 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1960 B10R1.29 CCNCc1ccnn1C 207a_100015525214_100000737161 [0,1,0,0,0,0|3,0,0]=4 1961 B10R1.29 CCNCc1ccnn1C 2230a_100015525214_100000691648 [0,1,0,0,0,0|3,0,0]=4 1962 B10R1.29 CCNCc1ccnn1C 270004a_100015525214_100000737161 [0,1,0,0,0,0|3,0,0]=4 1963 B10R1.29 CCNCc1ccnn1C 34a_100025706696_100000210202 [0,1,0,0,0,0|3,0,0]=4 1964 B10R1.29 CCNCc1ccsc1Br 207a_100015525214_100009816921 [0,1,0,0,0,0|3,0,0]=4 1965 B10R1.29 CCNCc1ccsc1Br 2230a_100000727803_100000210202 [0,1,0,0,0,0|3,0,0]=4 1966 B10R1.29 CCNCc1ccsc1Br 2230a_100015525214_100009814289 [0,1,0,0,0,0|3,0,0]=4 1967 B10R1.29 CCNCc1ccsc1Br 270004a_100015525214_100009816921 [0,1,0,0,0,0|3,0,0]=4 1968 B10R1.29 CCNCc1ccsc1Br 34a_100000727803_100000210202 [0,1,0,0,0,0|3,0,0]=4 1969 B10R1.29 CCNCc1ccsc1Cl 207a_100015525214_100000089901 [0,1,0,0,0,0|3,0,0]=4 1970 B10R1.29 CCNCc1ccsc1Cl 2230a_100015525214_100010167017 [0,1,0,0,0,0|3,0,0]=4 1971 B10R1.29 CCNCc1ccsc1Cl 270004a_100015525214_100000089901 [0,1,0,0,0,0|3,0,0]=4 1972 B10R1.29 CCNCc1cncn1C 207a_100015525214_100000750899 [0,1,0,0,0,0|3,0,0]=4 1973 B10R1.29 CCNCc1cncn1C 270004a_100015525214_100000750899 [0,1,0,0,0,0|3,0,0]=4 1974 B10R1.29 CCNCc1cscc1Br 207a_100015525214_100000685484 [0,1,0,0,0,0|3,0,0]=4 1975 B10R1.29 CCNCc1cscc1Br 270004a_100015525214_100000685484 [0,1,0,0,0,0|3,0,0]=4 1976 B10R1.29 CCNCc1n[nH]cc1Cl 207a_100015525214_100000040271 [0,1,0,0,0,0|3,0,0]=4 1977 B10R1.29 CCNCc1n[nH]cc1Cl 270004a_100015525214_100000040271 [0,1,0,0,0,0|3,0,0]=4 1978 B10R1.29 CCNCc1nc[nH]c1C 207a_100015525214_100000032982 [0,1,0,0,0,0|3,0,0]=4 1979 B10R1.29 CCNCc1nc[nH]c1C 2230a_100015525214_100000751220 [0,1,0,0,0,0|3,0,0]=4 1980 B10R1.29 CCNCc1nccn1C 207a_100015525214_100000748660 [0,1,0,0,0,0|3,0,0]=4 1981 B10R1.29 CCNCc1nccn1C 2230a_100015186572_100000210202 [0,1,0,0,0,0|3,0,0]=4 1982 B10R1.29 CCNCc1nccn1C 2230a_100015525214_100000700302 [0,1,0,0,0,0|3,0,0]=4 1983 B10R1.29 CCNCc1nccn1C 270004a_100015525214_100000748660 [0,1,0,0,0,0|3,0,0]=4 1984 B10R1.29 CCNCc1ncoc1C 2230a_100015525214_200000693990 [0,1,0,0,0,0|3,0,0]=4 1985 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [0,1,0,0,0,0|1,0,0]=2 1986 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [0,1,0,0,0,0|1,0,0]=2 1987 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [0,1,0,0,0,0|1,0,0]=2 1988 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [0,1,0,0,0,0|1,1,0]=3 1989 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [0,1,0,0,0,0|1,1,0]=3 1990 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [0,1,0,0,0,0|1,1,0]=3 1991 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [0,1,0,0,0,0|1,1,0]=3 1992 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [0,1,0,0,0,0|1,1,0]=3 1993 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [0,1,0,0,0,0|1,1,0]=3 1994 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [0,1,0,0,0,0|1,1,0]=3 1995 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [0,1,0,0,0,0|1,1,0]=3 1996 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [0,1,0,0,0,0|1,1,0]=3 1997 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [0,1,0,0,0,0|1,1,0]=3 1998 B10R1.29 CCNCc1scnc1C 207a_100015525214_100000764165 [0,1,0,0,0,0|2,1,0]=4 1999 B10R1.29 CCNCc1scnc1C 2230a_100000752186_100000210202 [0,1,0,0,0,0|2,1,0]=4 2000 B10R1.29 CCOCc1ccnn1C 34a_100000684702_100000210202 [0,1,0,0,0,0|3,0,0]=4 2001 B10R1.29 CCOCc1ccnn1C 34a_100121572206_100000691648 [0,1,0,0,0,0|3,0,0]=4 2002 B10R1.29 CCOCc1ccoc1C 34a_100011219433_100000210202 [0,1,0,0,0,0|3,0,0]=4 2003 B10R1.29 CCOCc1ccoc1C 7a_100011219433_100000210202 [0,1,0,0,0,0|3,0,0]=4 2004 B10R1.29 CCOCc1ccsc1Br 34a_100009816922_100000210202 [0,1,0,0,0,0|3,0,0]=4 2005 B10R1.29 CCOCc1ccsc1Br 34a_100121572206_100009814289 [0,1,0,0,0,0|3,0,0]=4 2006 B10R1.29 CCOCc1ccsc1Br 7a_100009816922_100000210202 [0,1,0,0,0,0|3,0,0]=4 2007 B10R1.29 CCOCc1ccsc1Cl 34a_100121572206_100010167017 [0,1,0,0,0,0|3,0,0]=4 2008 B10R1.29 CCOCc1cscc1Br 34a_100000724555_100000210202 [0,1,0,0,0,0|3,0,0]=4 2009 B10R1.29 CCOCc1nccn1C 34a_100121572206_100000700302 [0,1,0,0,0,0|3,0,0]=4 2010 B10R1.29 CCOCc1nccn1C 7a_100000691215_100000210202 [0,1,0,0,0,0|3,0,0]=4 2011 B10R1.29 CCOCc1ncoc1C 34a_100012017639_100000210202 [0,1,0,0,0,0|3,0,0]=4 2012 B10R1.29 CCOCc1ncoc1C 34a_100121572206_200000693990 [0,1,0,0,0,0|3,0,0]=4 2013 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [0,1,0,0,0,0|1,0,0]=2 2014 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [0,1,0,0,0,0|1,0,0]=2 2015 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [0,1,0,0,0,0|2,0,0]=3 2016 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [0,1,0,0,0,0|2,0,0]=3 2017 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [0,1,0,0,0,0|2,0,0]=3 2018 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [0,1,0,0,0,0|1,1,0]=3 2019 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [0,1,0,0,0,0|1,1,0]=3 2020 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [0,1,0,0,0,0|1,1,0]=3 2021 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [0,1,0,0,0,0|1,1,0]=3 2022 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [0,1,0,0,0,0|1,1,0]=3 2023 B10R1.29 CCOCc1scnc1Br 7a_100012000948_100000210202 [0,1,0,0,0,0|2,1,0]=4 2024 B10R1.29 CCOCc1scnc1C 34a_100000750112_100000210202 [0,1,0,0,0,0|2,1,0]=4 2025 B10R1.29 CCOCc1scnc1C 7a_100000750112_100000210202 [0,1,0,0,0,0|2,1,0]=4 2026 B10R1.29 CCSCc1ccnn1C 62a_100000210202_100000691648 [0,1,0,0,0,0|3,0,0]=4 2027 B10R1.29 CCSCc1ccnn1C 62a_100000691648_100000210202 [0,1,0,0,0,0|3,0,0]=4 2028 B10R1.29 CCSCc1ccsc1Br 62a_100000210202_100009814289 [0,1,0,0,0,0|3,0,0]=4 2029 B10R1.29 CCSCc1ccsc1Br 62a_100009814289_100000210202 [0,1,0,0,0,0|3,0,0]=4 2030 B10R1.29 CCSCc1ccsc1Cl 62a_100000210202_100010167017 [0,1,0,0,0,0|3,0,0]=4 2031 B10R1.29 CCSCc1ccsc1Cl 62a_100010167017_100000210202 [0,1,0,0,0,0|3,0,0]=4 2032 B10R1.29 CCSCc1nc[nH]c1C 62a_100000210202_100000751220 [0,1,0,0,0,0|3,0,0]=4 2033 B10R1.29 CCSCc1nc[nH]c1C 62a_100000751220_100000210202 [0,1,0,0,0,0|3,0,0]=4 2034 B10R1.29 CCSCc1nccn1C 62a_100000210202_100000700302 [0,1,0,0,0,0|3,0,0]=4 2035 B10R1.29 CCSCc1nccn1C 62a_100000700302_100000210202 [0,1,0,0,0,0|3,0,0]=4 2036 B10R1.29 CCSCc1ncoc1C 62a_100000210202_200000693990 [0,1,0,0,0,0|3,0,0]=4 2037 B10R1.29 CCSCc1ncoc1C 62a_200000693990_100000210202 [0,1,0,0,0,0|3,0,0]=4 2038 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,1,0,0,0,0|2,0,0]=3 2039 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,1,0,0,0,0|2,0,0]=3 2040 B10R1.29 CNCCc1scnc1C 2230a_100000238517_200000210301 [0,1,0,0,0,0|2,1,0]=4 2041 B10R1.29 CNCCc1scnc1C 2230a_106832991635_100000057103 [0,1,0,0,0,0|2,1,0]=4 2042 B10R1.29 CNCCc1scnc1C 34a_100000238517_200000210301 [0,1,0,0,0,0|2,1,0]=4 2043 B10R1.29 CNCCc1scnc1C 34a_100102657272_100000057103 [0,1,0,0,0,0|2,1,0]=4 2044 B10R1.29 CNCCc1scnc1C 7a_106832991635_100000057103 [0,1,0,0,0,0|2,1,0]=4 2045 B10R1.29 CNCCn1nccc1C 2230a_106832991635_100011934269 [0,1,0,0,0,0|3,0,0]=4 2046 B10R1.29 CNCCn1nccc1C 7a_106832991635_100011934269 [0,1,0,0,0,0|3,0,0]=4 2047 B10R1.29 COCCc1scnc1C 34a_100000211055_200000210301 [0,1,0,0,0,0|2,1,0]=4 2048 B10R1.29 COCCc1scnc1C 34a_100138415774_100000057103 [0,1,0,0,0,0|2,1,0]=4 2049 B10R1.29 COCCc1scnc1C 7a_100000211055_200000210301 [0,1,0,0,0,0|2,1,0]=4 2050 B10R1.29 COCCn1nccc1N 34a_100000701086_200000210301 [0,1,0,0,0,0|3,0,0]=4 2051 B10R1.29 COCSc1sccc1Br 62a_100000766300_100012361411 [0,1,0,0,0,0|2,1,0]=4 2052 B10R1.29 COCSc1sccc1Br 62a_100012361411_100000766300 [0,1,0,0,0,0|2,1,0]=4 2053 B10R1.29 COCSc1sccc1C 62a_100000766300_100010247149 [0,1,0,0,0,0|2,1,0]=4 2054 B10R1.29 COCSc1sccc1C 62a_100010247149_100000766300 [0,1,0,0,0,0|2,1,0]=4 2055 B10R1.29 CSCCc1scnc1C 62a_100000057103_200000210301 [0,1,0,0,0,0|2,1,0]=4 2056 B10R1.29 CSCCc1scnc1C 62a_200000210301_100000057103 [0,1,0,0,0,0|2,1,0]=4 2057 B10R1.29 CSCCn1nccc1C 62a_100011934269_200000210301 [0,1,0,0,0,0|3,0,0]=4 2058 B10R1.29 CSCCn1nccc1C 62a_200000210301_100011934269 [0,1,0,0,0,0|3,0,0]=4 2059 B10R1.29 CSCSc1sccc1Br 62a_100011218213_100012361411 [0,1,0,0,0,0|2,1,0]=4 2060 B10R1.29 CSCSc1sccc1Br 62a_100012361411_100011218213 [0,1,0,0,0,0|2,1,0]=4 2061 B10R1.29 CSCSc1sccc1C 62a_100010247149_100011218213 [0,1,0,0,0,0|2,1,0]=4 2062 B10R1.29 CSCSc1sccc1C 62a_100011218213_100010247149 [0,1,0,0,0,0|2,1,0]=4 2063 B10R1.29 Cc1ccnn1CCS[13CH3] 62a_100011934269_200025704644 [0,1,0,0,0,0|3,0,0]=4 2064 B10R1.29 Cc1ccnn1CCS[13CH3] 62a_200025704644_100011934269 [0,1,0,0,0,0|3,0,0]=4 2065 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [0,1,0,0,0,0|2,0,0]=3 2066 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [0,1,0,0,0,0|2,0,0]=3 2067 B10R1.29 Cc1ccsc1CNCF 34a_100000238519_100015361967 [0,1,0,0,0,0|2,1,0]=4 2068 B10R1.29 Cc1ccsc1COCF 34a_100000238368_100015361967 [0,1,0,0,0,0|2,1,0]=4 2069 B10R1.29 Cc1ccsc1COCF 7a_100000238368_100015361967 [0,1,0,0,0,0|2,1,0]=4 2070 B10R1.29 Cc1ccsc1SCCF 62a_100010247149_100011217306 [0,1,0,0,0,0|2,1,0]=4 2071 B10R1.29 Cc1ccsc1SCCF 62a_100011217306_100010247149 [0,1,0,0,0,0|2,1,0]=4 2072 B10R1.29 Cc1ccsc1SCCO 62a_100000211926_100010247149 [0,1,0,0,0,0|2,1,0]=4 2073 B10R1.29 Cc1ccsc1SCCO 62a_100010247149_100000211926 [0,1,0,0,0,0|2,1,0]=4 2074 B10R1.29 Cc1cnoc1COCF 34a_200011065769_100015361967 [0,1,0,0,0,0|3,0,0]=4 2075 B10R1.29 Cc1ncoc1COCF 34a_100000717716_100015361967 [0,1,0,0,0,0|3,0,0]=4 2076 B10R1.29 Cc1ncoc1COCF 7a_100000717716_100015361967 [0,1,0,0,0,0|3,0,0]=4 2077 B10R1.29 Cc1ncsc1CCN[13CH3] 2230a_100000238517_200025704644 [0,1,0,0,0,0|2,1,0]=4 2078 B10R1.29 Cc1ncsc1CCN[13CH3] 34a_100000238517_200025704644 [0,1,0,0,0,0|2,1,0]=4 2079 B10R1.29 Cc1ncsc1CCO[13CH3] 34a_100000211055_200025704644 [0,1,0,0,0,0|2,1,0]=4 2080 B10R1.29 Cc1ncsc1CCO[13CH3] 7a_100000211055_200025704644 [0,1,0,0,0,0|2,1,0]=4 2081 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_100000057103_200025704644 [0,1,0,0,0,0|2,1,0]=4 2082 B10R1.29 Cc1ncsc1CCS[13CH3] 62a_200025704644_100000057103 [0,1,0,0,0,0|2,1,0]=4 2083 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,1,0,0,0,0|2,0,0]=3 2084 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,1,0,0,0,0|2,0,0]=3 2085 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,1,0,0,0,0|3,0,0]=4 2086 B10R1.29 FCCSc1sccc1Br 62a_100011217306_100012361411 [0,1,0,0,0,0|2,1,0]=4 2087 B10R1.29 FCCSc1sccc1Br 62a_100012361411_100011217306 [0,1,0,0,0,0|2,1,0]=4 2088 B10R1.29 FCNCc1sccc1Cl 34a_100011934584_100015361967 [0,1,0,0,0,0|2,1,0]=4 2089 B10R1.29 FCOCc1sccc1Br 34a_100000702026_100015361967 [0,1,0,0,0,0|2,1,0]=4 2090 B10R1.29 FCOCc1sccc1Cl 34a_100000722387_100015361967 [0,1,0,0,0,0|2,1,0]=4 2091 B10R1.29 FCOCc1sccc1Cl 7a_100000722387_100015361967 [0,1,0,0,0,0|2,1,0]=4 2092 B10R1.29 OCCSc1sccc1Br 62a_100000211926_100012361411 [0,1,0,0,0,0|2,1,0]=4 2093 B10R1.29 OCCSc1sccc1Br 62a_100012361411_100000211926 [0,1,0,0,0,0|2,1,0]=4 2094 B10R1.29 [13CH3]OCCn1nccc1N 34a_100000701086_200025704644 [0,1,0,0,0,0|3,0,0]=4 2095 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,1,0,0,0,0|1,0,1]=3 2096 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,1,0,0,0,0|1,0,1]=3 2097 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,1,0,0,0,0|1,1,1]=4 2098 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,1,0,0,0,0|1,1,1]=4 2099 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,1,0,0,0,0|2,0,1]=4 2100 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,1,0,0,0,0|2,0,1]=4 2101 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,1,0,0,0,0|2,0,1]=4 2102 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,1,0,0,0,0|2,0,1]=4 2103 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,1,0,0,0,0|1,0,2]=4 2104 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,1,0,0,0,0|1,0,2]=4 2105 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,1,0,0,0,0|2,0,1]=4 2106 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,1,0,0,0,0|2,0,1]=4 2107 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,0,0,0|1,0,1]=3 2108 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,0,0,0|0,0,1]=2 2109 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,1,0,0,0,0|0,1,1]=3 2110 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,1,0,0,0,0|0,1,1]=3 2111 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,1,0,0,0,0|2,0,1]=4 2112 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,1,0,0,0,0|2,0,1]=4 2113 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,1,0,0,0,0|1,1,1]=4 2114 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,1,0,0,0,0|2,0,1]=4 2115 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,1,0,0,0,0|1,1,1]=4 2116 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,1,0,0,0,0|2,0,1]=4 2117 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,1,0,0,0,0|2,0,1]=4 2118 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,1,0,0,0,0|2,0,1]=4 2119 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,1,0,0,0,0|2,0,1]=4 2120 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,1,0,0,0,0|2,0,1]=4 2121 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,1,0,0,0,0|2,0,1]=4 2122 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,1,0,0,0,0|2,0,1]=4 2123 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 2124 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 2125 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 2126 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,1,0,0,0,0|1,0,1]=3 2127 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 2128 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 2129 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 2130 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,1,0,0,0,0|1,1,1]=4 2131 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,1,0,0,0,0|2,0,1]=4 2132 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,1,0,0,0,0|2,0,1]=4 2133 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,1,0,0,0,0|2,0,1]=4 2134 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 2135 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 2136 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 2137 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,1,0,0,0,0|2,0,1]=4 2138 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,1,0,0,0,0|0,0,2]=3 2139 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,1,0,0,0,0|0,1,2]=4 2140 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [0,1,0,0,0,0|1,0,2]=4 2141 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,1,0,0,0,0|1,0,2]=4 2142 B10R1.66 CC(C)CCN1CC=CC1 269982a_100015195280_100000210312 [0,1,0,0,0,0|2,0,1]=4 2143 B10R1.66 CC(C)COc1ccsc1 34a_100000106738_100000210624 [0,1,0,0,0,0|3,0,0]=4 2144 B10R1.66 CC(C)COc1ccsc1 7a_100000106738_100000210760 [0,1,0,0,0,0|3,0,0]=4 2145 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000210624_100000756875 [0,1,0,0,0,0|3,0,0]=4 2146 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000756875_100000210760 [0,1,0,0,0,0|3,0,0]=4 2147 B10R1.66 CC(C)CSc1cc[nH]n1 62a_100000062575_100000210760 [0,1,0,0,0,0|3,0,0]=4 2148 B10R1.66 CC(C)CSc1cc[nH]n1 62a_100000210624_100000062575 [0,1,0,0,0,0|3,0,0]=4 2149 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,1,0,0,0,0|1,0,0]=2 2150 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,1,0,0,0,0|1,0,0]=2 2151 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,1,0,0,0,0|1,1,0]=3 2152 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,1,0,0,0,0|1,1,0]=3 2153 B10R1.66 CC(C)CSc1ccoc1 62a_100000210624_100011215275 [0,1,0,0,0,0|3,0,0]=4 2154 B10R1.66 CC(C)CSc1ccoc1 62a_100011215275_100000210760 [0,1,0,0,0,0|3,0,0]=4 2155 B10R1.66 CC(C)CSc1ccon1 62a_100000210624_100009818083 [0,1,0,0,0,0|3,0,0]=4 2156 B10R1.66 CC(C)CSc1ccon1 62a_100009818083_100000210760 [0,1,0,0,0,0|3,0,0]=4 2157 B10R1.66 CC(C)CSc1ccsc1 62a_100000210624_100000738268 [0,1,0,0,0,0|3,0,0]=4 2158 B10R1.66 CC(C)CSc1ccsc1 62a_100000738268_100000210760 [0,1,0,0,0,0|3,0,0]=4 2159 B10R1.66 CC(C)CSc1ccsn1 62a_100000210624_100009818082 [0,1,0,0,0,0|3,0,0]=4 2160 B10R1.66 CC(C)CSc1ccsn1 62a_100009818082_100000210760 [0,1,0,0,0,0|3,0,0]=4 2161 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,1,0,0,0,0|2,0,0]=3 2162 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,1,0,0,0,0|2,0,0]=3 2163 B10R1.66 CC(C)CSc1cncs1 62a_100000210624_100011934649 [0,1,0,0,0,0|2,1,0]=4 2164 B10R1.66 CC(C)CSc1cncs1 62a_100011934649_100000210760 [0,1,0,0,0,0|2,1,0]=4 2165 B10R1.66 CC(C)CSc1cscn1 62a_100000210624_100000751502 [0,1,0,0,0,0|3,0,0]=4 2166 B10R1.66 CC(C)CSc1cscn1 62a_100000751502_100000210760 [0,1,0,0,0,0|3,0,0]=4 2167 B10R1.66 CC(C)CSc1ncc[nH]1 62a_100000210624_100025796157 [0,1,0,0,0,0|3,0,0]=4 2168 B10R1.66 CC(C)CSc1ncc[nH]1 62a_100025796157_100000210760 [0,1,0,0,0,0|3,0,0]=4 2169 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,1,0,0,0,0|2,0,0]=3 2170 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,1,0,0,0,0|2,0,0]=3 2171 B10R1.66 CC(C)CSc1nccs1 62a_100000210624_100000211983 [0,1,0,0,0,0|2,1,0]=4 2172 B10R1.66 CC(C)CSc1nccs1 62a_100000211983_100000210760 [0,1,0,0,0,0|2,1,0]=4 2173 B10R1.66 CC(C)NCc1c[nH]cn1 2230a_100138425928_100000707719 [0,1,0,0,0,0|3,0,0]=4 2174 B10R1.66 CC(C)NCc1c[nH]cn1 34a_100138425928_100000707719 [0,1,0,0,0,0|3,0,0]=4 2175 B10R1.66 CC(C)NCc1cc[nH]n1 207a_100138425928_100000738523 [0,1,0,0,0,0|3,0,0]=4 2176 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,1,0,0,0,0|1,0,0]=2 2177 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,1,0,0,0,0|1,0,0]=2 2178 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,1,0,0,0,0|1,0,0]=2 2179 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,1,0,0,0,0|1,1,0]=3 2180 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,1,0,0,0,0|1,1,0]=3 2181 B10R1.66 CC(C)NCc1ccn[nH]1 2230a_100138425928_100000728653 [0,1,0,0,0,0|3,0,0]=4 2182 B10R1.66 CC(C)NCc1ccn[nH]1 34a_100138425928_100000728653 [0,1,0,0,0,0|3,0,0]=4 2183 B10R1.66 CC(C)NCc1ccoc1 207a_100138425928_100011215517 [0,1,0,0,0,0|3,0,0]=4 2184 B10R1.66 CC(C)NCc1ccoc1 2230a_100015206860_100000210206 [0,1,0,0,0,0|3,0,0]=4 2185 B10R1.66 CC(C)NCc1ccoc1 34a_100015206860_100000210206 [0,1,0,0,0,0|3,0,0]=4 2186 B10R1.66 CC(C)NCc1ccon1 2230a_100138425928_100000234950 [0,1,0,0,0,0|3,0,0]=4 2187 B10R1.66 CC(C)NCc1ccon1 34a_100138425928_100000234950 [0,1,0,0,0,0|3,0,0]=4 2188 B10R1.66 CC(C)NCc1ccsc1 207a_100138425928_100000188534 [0,1,0,0,0,0|3,0,0]=4 2189 B10R1.66 CC(C)NCc1ccsc1 2230a_100000186416_100000210206 [0,1,0,0,0,0|3,0,0]=4 2190 B10R1.66 CC(C)NCc1ccsc1 2230a_100138425928_100011261437 [0,1,0,0,0,0|3,0,0]=4 2191 B10R1.66 CC(C)NCc1ccsc1 34a_100000186416_100000210206 [0,1,0,0,0,0|3,0,0]=4 2192 B10R1.66 CC(C)NCc1ccsc1 34a_100138425928_100011261437 [0,1,0,0,0,0|3,0,0]=4 2193 B10R1.66 CC(C)NCc1cnc[nH]1 207a_100138425928_100000742939 [0,1,0,0,0,0|3,0,0]=4 2194 B10R1.66 CC(C)NCc1cncs1 207a_100138425928_100000749870 [0,1,0,0,0,0|2,1,0]=4 2195 B10R1.66 CC(C)NCc1cncs1 2230a_100016987365_100000210206 [0,1,0,0,0,0|2,1,0]=4 2196 B10R1.66 CC(C)NCc1cncs1 2230a_100138425928_100015185245 [0,1,0,0,0,0|2,1,0]=4 2197 B10R1.66 CC(C)NCc1cncs1 34a_100138425928_100015185245 [0,1,0,0,0,0|2,1,0]=4 2198 B10R1.66 CC(C)NCc1cscn1 207a_100138425928_100000743575 [0,1,0,0,0,0|3,0,0]=4 2199 B10R1.66 CC(C)NCc1cscn1 2230a_100015185402_100000210206 [0,1,0,0,0,0|3,0,0]=4 2200 B10R1.66 CC(C)NCc1cscn1 2230a_100138425928_100000205941 [0,1,0,0,0,0|3,0,0]=4 2201 B10R1.66 CC(C)NCc1cscn1 34a_100138425928_100000205941 [0,1,0,0,0,0|3,0,0]=4 2202 B10R1.66 CC(C)NCc1ncc[nH]1 207a_100138425928_100000743867 [0,1,0,0,0,0|3,0,0]=4 2203 B10R1.66 CC(C)NCc1ncc[nH]1 2230a_100138425928_100016991755 [0,1,0,0,0,0|3,0,0]=4 2204 B10R1.66 CC(C)NCc1ncc[nH]1 34a_100138425928_100016991755 [0,1,0,0,0,0|3,0,0]=4 2205 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,1,0,0,0,0|2,0,0]=3 2206 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,1,0,0,0,0|2,0,0]=3 2207 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,1,0,0,0,0|2,0,0]=3 2208 B10R1.66 CC(C)NCc1nccs1 207a_100138425928_100000750902 [0,1,0,0,0,0|2,1,0]=4 2209 B10R1.66 CC(C)NCc1nccs1 2230a_100000740555_100000210206 [0,1,0,0,0,0|2,1,0]=4 2210 B10R1.66 CC(C)NCc1nccs1 2230a_100138425928_100015184050 [0,1,0,0,0,0|2,1,0]=4 2211 B10R1.66 CC(C)NCc1nccs1 34a_100138425928_100015184050 [0,1,0,0,0,0|2,1,0]=4 2212 B10R1.66 CC(C)OCc1c[nH]cn1 34a_100000212225_100000707719 [0,1,0,0,0,0|3,0,0]=4 2213 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,1,0,0,0,0|1,0,0]=2 2214 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,1,0,0,0,0|1,1,0]=3 2215 B10R1.66 CC(C)OCc1ccn[nH]1 34a_100000212225_100000728653 [0,1,0,0,0,0|3,0,0]=4 2216 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,1,0,0,0,0|2,0,0]=3 2217 B10R1.66 CC(C)OCc1ccoc1 34a_100011215357_100000210206 [0,1,0,0,0,0|3,0,0]=4 2218 B10R1.66 CC(C)OCc1ccon1 34a_100000212225_100000234950 [0,1,0,0,0,0|3,0,0]=4 2219 B10R1.66 CC(C)OCc1ccsc1 34a_100000212225_100011261437 [0,1,0,0,0,0|3,0,0]=4 2220 B10R1.66 CC(C)OCc1ccsc1 34a_100011215551_100000210206 [0,1,0,0,0,0|3,0,0]=4 2221 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [0,1,0,0,0,0|2,1,0]=4 2222 B10R1.66 CC(C)OCc1cscn1 34a_100000212225_100000205941 [0,1,0,0,0,0|3,0,0]=4 2223 B10R1.66 CC(C)OCc1ncc[nH]1 34a_100000212225_100016991755 [0,1,0,0,0,0|3,0,0]=4 2224 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,1,0,0,0,0|2,0,0]=3 2225 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,1,0,0,0,0|2,0,0]=3 2226 B10R1.66 CC(C)OCc1nccs1 34a_100000212225_100015184050 [0,1,0,0,0,0|2,1,0]=4 2227 B10R1.66 CC(C)OCn1cccn1 34a_100000731028_100000210206 [0,1,0,0,0,0|3,0,0]=4 2228 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000210206_100000707719 [0,1,0,0,0,0|3,0,0]=4 2229 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000707719_100000210206 [0,1,0,0,0,0|3,0,0]=4 2230 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000210206_100000728653 [0,1,0,0,0,0|3,0,0]=4 2231 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000728653_100000210206 [0,1,0,0,0,0|3,0,0]=4 2232 B10R1.66 CC(C)SCc1ccon1 62a_100000210206_100000234950 [0,1,0,0,0,0|3,0,0]=4 2233 B10R1.66 CC(C)SCc1ccon1 62a_100000234950_100000210206 [0,1,0,0,0,0|3,0,0]=4 2234 B10R1.66 CC(C)SCc1ccsc1 62a_100000210206_100011233845 [0,1,0,0,0,0|3,0,0]=4 2235 B10R1.66 CC(C)SCc1ccsc1 62a_100011261437_100000210206 [0,1,0,0,0,0|3,0,0]=4 2236 B10R1.66 CC(C)SCc1cncs1 62a_100000210206_100015185245 [0,1,0,0,0,0|2,1,0]=4 2237 B10R1.66 CC(C)SCc1cncs1 62a_100015185245_100000210206 [0,1,0,0,0,0|2,1,0]=4 2238 B10R1.66 CC(C)SCc1cscn1 62a_100000205941_100000210206 [0,1,0,0,0,0|3,0,0]=4 2239 B10R1.66 CC(C)SCc1cscn1 62a_100000210206_100000205941 [0,1,0,0,0,0|3,0,0]=4 2240 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100000210206_100016991755 [0,1,0,0,0,0|3,0,0]=4 2241 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100016991755_100000210206 [0,1,0,0,0,0|3,0,0]=4 2242 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,1,0,0,0,0|2,0,0]=3 2243 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,1,0,0,0,0|2,0,0]=3 2244 B10R1.66 CC(C)SCc1nccs1 62a_100000210206_100015184050 [0,1,0,0,0,0|2,1,0]=4 2245 B10R1.66 CC(C)SCc1nccs1 62a_100015184050_100000210206 [0,1,0,0,0,0|2,1,0]=4 2246 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,1,0,0,0,0|0,0,2]=3 2247 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,1,0,0,0,0|0,1,2]=4 2248 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,1,0,0,0,0|1,0,2]=4 2249 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,1,0,0,0,0|1,0,2]=4 2250 B10R1.66 CC(O)CCN1CC=CC1 269982a_100015195280_100012276601 [0,1,0,0,0,0|2,0,1]=4 2251 B10R1.66 CC(O)COc1ccsc1 34a_100000106738_100011218427 [0,1,0,0,0,0|3,0,0]=4 2252 B10R1.66 CC(O)COc1ccsc1 7a_100000106738_100011218427 [0,1,0,0,0,0|3,0,0]=4 2253 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100000756875_100011218427 [0,1,0,0,0,0|3,0,0]=4 2254 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100011218427_100000756875 [0,1,0,0,0,0|3,0,0]=4 2255 B10R1.66 CC(O)CSc1cc[nH]n1 62a_100000062575_100011218427 [0,1,0,0,0,0|3,0,0]=4 2256 B10R1.66 CC(O)CSc1cc[nH]n1 62a_100011218427_100000062575 [0,1,0,0,0,0|3,0,0]=4 2257 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,1,0,0,0,0|1,0,0]=2 2258 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,1,0,0,0,0|1,0,0]=2 2259 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,1,0,0,0,0|1,1,0]=3 2260 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,1,0,0,0,0|1,1,0]=3 2261 B10R1.66 CC(O)CSc1ccoc1 62a_100011215275_100011218427 [0,1,0,0,0,0|3,0,0]=4 2262 B10R1.66 CC(O)CSc1ccoc1 62a_100011218427_100011215275 [0,1,0,0,0,0|3,0,0]=4 2263 B10R1.66 CC(O)CSc1ccon1 62a_100009818083_100011218427 [0,1,0,0,0,0|3,0,0]=4 2264 B10R1.66 CC(O)CSc1ccon1 62a_100011218427_100009818083 [0,1,0,0,0,0|3,0,0]=4 2265 B10R1.66 CC(O)CSc1ccsc1 62a_100000738268_100011218427 [0,1,0,0,0,0|3,0,0]=4 2266 B10R1.66 CC(O)CSc1ccsc1 62a_100011218427_100000738268 [0,1,0,0,0,0|3,0,0]=4 2267 B10R1.66 CC(O)CSc1ccsn1 62a_100009818082_100011218427 [0,1,0,0,0,0|3,0,0]=4 2268 B10R1.66 CC(O)CSc1ccsn1 62a_100011218427_100009818082 [0,1,0,0,0,0|3,0,0]=4 2269 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,1,0,0,0,0|2,0,0]=3 2270 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,1,0,0,0,0|2,0,0]=3 2271 B10R1.66 CC(O)CSc1cncs1 62a_100011218427_100011934649 [0,1,0,0,0,0|2,1,0]=4 2272 B10R1.66 CC(O)CSc1cncs1 62a_100011934649_100011218427 [0,1,0,0,0,0|2,1,0]=4 2273 B10R1.66 CC(O)CSc1cscn1 62a_100000751502_100011218427 [0,1,0,0,0,0|3,0,0]=4 2274 B10R1.66 CC(O)CSc1cscn1 62a_100011218427_100000751502 [0,1,0,0,0,0|3,0,0]=4 2275 B10R1.66 CC(O)CSc1ncc[nH]1 62a_100011218427_100025796157 [0,1,0,0,0,0|3,0,0]=4 2276 B10R1.66 CC(O)CSc1ncc[nH]1 62a_100025796157_100011218427 [0,1,0,0,0,0|3,0,0]=4 2277 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,1,0,0,0,0|2,0,0]=3 2278 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,1,0,0,0,0|2,0,0]=3 2279 B10R1.66 CC(O)CSc1nccs1 62a_100000211983_100011218427 [0,1,0,0,0,0|2,1,0]=4 2280 B10R1.66 CC(O)CSc1nccs1 62a_100011218427_100000211983 [0,1,0,0,0,0|2,1,0]=4 2281 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,1,0,0,0,0|3,0,0]=4 2282 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,1,0,0,0,0|3,0,0]=4 2283 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,1,0,0,0,0|1,1,0]=3 2284 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,1,0,0,0,0|1,1,0]=3 2285 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,1,0,0,0,0|3,0,0]=4 2286 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,1,0,0,0,0|3,0,0]=4 2287 B10R1.66 CN(C)CCn1cccn1 2230a_100102631434_100000685285 [0,1,0,0,0,0|3,0,0]=4 2288 B10R1.66 CN(C)CCn1cccn1 269982a_100102631434_100000685285 [0,1,0,0,0,0|3,0,0]=4 2289 B10R1.66 C[C@@H](O)COc1ccsc1 34a_100000106738_100009817552 [0,1,0,0,0,0|3,0,0]=4 2290 B10R1.66 C[C@@H](O)COc1ccsc1 7a_100000106738_100009817552 [0,1,0,0,0,0|3,0,0]=4 2291 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100000756875_100009817552 [0,1,0,0,0,0|3,0,0]=4 2292 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100009817552_100000756875 [0,1,0,0,0,0|3,0,0]=4 2293 B10R1.66 C[C@@H](O)CSc1cc[nH]n1 62a_100000062575_100009817552 [0,1,0,0,0,0|3,0,0]=4 2294 B10R1.66 C[C@@H](O)CSc1cc[nH]n1 62a_100009817552_100000062575 [0,1,0,0,0,0|3,0,0]=4 2295 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,1,0,0,0,0|1,0,0]=2 2296 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,1,0,0,0,0|1,0,0]=2 2297 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,1,0,0,0,0|1,1,0]=3 2298 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,1,0,0,0,0|1,1,0]=3 2299 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100009817552_100011215275 [0,1,0,0,0,0|3,0,0]=4 2300 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100011215275_100009817552 [0,1,0,0,0,0|3,0,0]=4 2301 B10R1.66 C[C@@H](O)CSc1ccon1 62a_100009817552_100009818083 [0,1,0,0,0,0|3,0,0]=4 2302 B10R1.66 C[C@@H](O)CSc1ccon1 62a_100009818083_100009817552 [0,1,0,0,0,0|3,0,0]=4 2303 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100000738268_100009817552 [0,1,0,0,0,0|3,0,0]=4 2304 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100009817552_100000738268 [0,1,0,0,0,0|3,0,0]=4 2305 B10R1.66 C[C@@H](O)CSc1ccsn1 62a_100009817552_100009818082 [0,1,0,0,0,0|3,0,0]=4 2306 B10R1.66 C[C@@H](O)CSc1ccsn1 62a_100009818082_100009817552 [0,1,0,0,0,0|3,0,0]=4 2307 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,1,0,0,0,0|2,0,0]=3 2308 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,1,0,0,0,0|2,0,0]=3 2309 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100009817552_100011934649 [0,1,0,0,0,0|2,1,0]=4 2310 B10R1.66 C[C@@H](O)CSc1cncs1 62a_100011934649_100009817552 [0,1,0,0,0,0|2,1,0]=4 2311 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100000751502_100009817552 [0,1,0,0,0,0|3,0,0]=4 2312 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100009817552_100000751502 [0,1,0,0,0,0|3,0,0]=4 2313 B10R1.66 C[C@@H](O)CSc1ncc[nH]1 62a_100009817552_100025796157 [0,1,0,0,0,0|3,0,0]=4 2314 B10R1.66 C[C@@H](O)CSc1ncc[nH]1 62a_100025796157_100009817552 [0,1,0,0,0,0|3,0,0]=4 2315 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,1,0,0,0,0|2,0,0]=3 2316 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,1,0,0,0,0|2,0,0]=3 2317 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100000211983_100009817552 [0,1,0,0,0,0|2,1,0]=4 2318 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100009817552_100000211983 [0,1,0,0,0,0|2,1,0]=4 2319 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,1,0,0,0,0|2,0,0]=3 2320 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,1,0,0,0,0|2,0,0]=3 2321 B10R1.66 FC(F)CSc1cccs1 62a_100011215356_100011934356 [0,1,0,0,0,0|2,1,0]=4 2322 B10R1.66 FC(F)CSc1cccs1 62a_100011934356_100011215356 [0,1,0,0,0,0|2,1,0]=4 2323 B10R1.66 FC(F)CSc1cnco1 62a_100011934356_100020591547 [0,1,0,0,0,0|3,0,0]=4 2324 B10R1.66 FC(F)CSc1cnco1 62a_100020591547_100011934356 [0,1,0,0,0,0|3,0,0]=4 2325 B10R1.66 FC(F)CSc1ncco1 62a_100011787736_100011934356 [0,1,0,0,0,0|3,0,0]=4 2326 B10R1.66 FC(F)CSc1ncco1 62a_100011934356_100011787736 [0,1,0,0,0,0|3,0,0]=4 2327 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,1,0,0,0,0|2,0,1]=4 2328 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,1,0,0,0,0|2,0,1]=4 2329 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,1,0,0,0,0|2,0,1]=4 2330 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,1,0,0,0,0|2,0,1]=4 2331 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,1,0,0,0,0|3,0,0]=4 2332 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,1,0,0,0,0|2,0,1]=4 2333 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,0,0,0|1,0,1]=3 2334 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,0,0,0|0,0,1]=2 2335 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,1,0,0,0,0|0,1,1]=3 2336 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,1,0,0,0,0|2,0,1]=4 2337 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,1,0,0,0,0|2,0,1]=4 2338 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,1,0,0,0,0|1,1,1]=4 2339 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,1,0,0,0,0|2,0,1]=4 2340 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,1,0,0,0,0|1,1,1]=4 2341 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,1,0,0,0,0|2,0,1]=4 2342 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,1,0,0,0,0|2,0,1]=4 2343 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,0,1,0,0,0|0,0,2]=3 2344 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,0,1,0,0,0|0,0,2]=3 2345 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,0,1,0,0,0|1,0,2]=4 2346 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,0,1,0,0,0|1,0,2]=4 2347 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,0,1,0,0,0|1,0,2]=4 2348 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,0,1,0,0,0|1,0,2]=4 2349 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,0,1,0,0,0|1,0,2]=4 2350 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,0,1,0,0,0|1,0,2]=4 2351 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,0,1,0,0,0|1,0,2]=4 2352 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,0,1,0,0,0|1,0,2]=4 2353 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,0,1,0,0,0|1,0,2]=4 2354 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,0,1,0,0,0|1,0,2]=4 2355 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,0,1,0,0,0|1,0,2]=4 2356 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,0,1,0,0,0|1,0,2]=4 2357 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,0,1,0,0,0|2,0,1]=4 2358 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,0,1,0,0,0|2,0,1]=4 2359 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,0,1,0,0,0|2,0,1]=4 2360 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,0,1,0,0,0|2,0,1]=4 2361 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,0,1,0,0,0|2,0,0]=3 2362 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,0,1,0,0,0|2,0,0]=3 2363 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,0,1,0,0,0|2,0,0]=3 2364 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,0,1,0,0,0|2,0,0]=3 2365 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,0,1,0,0,0|3,0,0]=4 2366 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,0,1,0,0,0|3,0,0]=4 2367 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,1,0,0,0|0,0,2]=3 2368 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,0,1,0,0,0|1,0,2]=4 2369 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,0,1,0,0,0|1,0,2]=4 2370 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,0,1,0,0,0|1,0,2]=4 2371 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,0,1,0,0,0|1,0,2]=4 2372 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,0,1,0,0,0|1,0,2]=4 2373 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,0,1,0,0,0|1,0,2]=4 2374 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,0,1,0,0,0|1,0,2]=4 2375 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,0,1,0,0,0|1,0,1]=3 2376 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,0,1,0,0,0|1,0,1]=3 2377 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,0,1,0,0,0|1,0,1]=3 2378 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,0,1,0,0,0|2,0,1]=4 2379 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,0,1,0,0,0|2,0,1]=4 2380 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,0,1,0,0,0|2,0,1]=4 2381 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,0,1,0,0,0|2,0,1]=4 2382 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,0,1,0,0,0|2,0,1]=4 2383 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,0,1,0,0,0|2,0,1]=4 2384 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [0,0,1,0,0,0|2,0,1]=4 2385 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [0,0,1,0,0,0|2,0,1]=4 2386 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [0,0,1,0,0,0|2,0,1]=4 2387 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [0,0,1,0,0,0|2,0,1]=4 2388 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [0,0,1,0,0,0|2,0,1]=4 2389 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [0,0,1,0,0,0|2,0,1]=4 2390 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,0,1,0,0,0|2,0,1]=4 2391 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,0,1,0,0,0|2,0,1]=4 2392 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,0,1,0,0,0|2,0,1]=4 2393 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,0,1,0,0,0|2,0,1]=4 2394 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,0,1,0,0,0|2,0,1]=4 2395 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,0,1,0,0,0|2,0,1]=4 2396 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,0,1,0,0,0|2,0,0]=3 2397 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,0,1,0,0,0|3,0,0]=4 2398 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,1,0,0,0|2,0,1]=4 2399 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,1,0,0,0|2,0,1]=4 2400 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,1,0,0,0|2,0,1]=4 2401 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,1,0,0,0|2,0,1]=4 2402 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,1,0,0,0|2,0,1]=4 2403 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,1,0,0,0|2,0,1]=4 2404 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,0,1,0,0,0|2,0,1]=4 2405 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,0,1,0,0,0|2,0,1]=4 2406 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,0,1,0,0,0|2,0,1]=4 2407 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,0,1,0,0,0|2,0,1]=4 2408 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,0,1,0,0,0|2,0,1]=4 2409 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,0,1,0,0,0|2,0,1]=4 2410 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,0,1,0,0,0|2,0,1]=4 2411 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,0,1,0,0,0|2,0,1]=4 2412 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,1,0,0,0|1,0,2]=4 2413 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,1,0,0,0|1,0,2]=4 2414 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,0,1,0,0,0|1,0,2]=4 2415 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,1,0,0,0|0,0,2]=3 2416 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,1,0,0,0|0,0,2]=3 2417 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,1,0,0,0|0,0,2]=3 2418 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,0,1,0,0,0|1,0,2]=4 2419 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,0,1,0,0,0|1,0,2]=4 2420 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,0,1,0,0,0|1,0,2]=4 2421 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,0,1,0,0,0|1,0,2]=4 2422 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,0,1,0,0,0|1,0,2]=4 2423 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,0,1,0,0,0|1,0,2]=4 2424 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,0,1,0,0,0|1,0,2]=4 2425 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,0,1,0,0,0|1,0,2]=4 2426 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,0,1,0,0,0|1,0,2]=4 2427 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [0,0,1,0,0,0|1,0,2]=4 2428 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [0,0,1,0,0,0|1,0,2]=4 2429 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [0,0,1,0,0,0|1,0,2]=4 2430 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [0,0,1,0,0,0|1,0,2]=4 2431 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,0,1,0,0,0|1,0,2]=4 2432 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,0,1,0,0,0|1,0,2]=4 2433 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,0,1,0,0,0|1,0,2]=4 2434 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,0,1,0,0,0|1,0,2]=4 2435 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,0,1,0,0,0|1,0,2]=4 2436 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,0,1,0,0,0|1,0,2]=4 2437 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,0,1,0,0,0|1,0,2]=4 2438 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,0,1,0,0,0|1,0,2]=4 2439 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,1,0,0,0|0,1,2]=4 2440 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,1,0,0,0|0,1,2]=4 2441 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,1,0,0,0|2,0,1]=4 2442 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,1,0,0,0|2,0,1]=4 2443 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,1,0,0,0|2,0,1]=4 2444 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,1,0,0,0|2,0,1]=4 2445 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,1,0,0,0|2,0,1]=4 2446 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,1,0,0,0|2,0,1]=4 2447 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,0,1,0,0,0|2,0,1]=4 2448 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,0,1,0,0,0|2,0,1]=4 2449 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,0,1,0,0,0|2,0,1]=4 2450 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,0,1,0,0,0|2,0,1]=4 2451 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,1,0,0,0|1,0,2]=4 2452 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,1,0,0,0|1,0,2]=4 2453 B8R0.11 C=CC(C=C)OCCC 34a_100000033096_100000210303 [0,0,1,0,0,0|2,0,1]=4 2454 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,0,1,0,0,0|0,0,2]=3 2455 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,0,1,0,0,0|0,0,2]=3 2456 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,0,1,0,0,0|0,0,2]=3 2457 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,0,1,0,0,0|0,0,2]=3 2458 B10R2.136 C1=CCN(C1)C2CCC2 269982a_100015195280_100000749161 [0,0,0,1,0,0|2,0,1]=4 2459 B10R2.193 C1=CCN(C1)CC2CC2 269982a_100015195280_100000756562 [0,0,0,1,0,0|2,0,1]=4 2460 B10R2.193 c1c[nH]c(n1)SC2CC2 62a_100025796157_100000211595 [0,0,0,1,0,0|3,0,0]=4 2461 B10R2.193 c1cc(co1)SC2CC2 62a_100011215275_100000211595 [0,0,0,1,0,0|3,0,0]=4 2462 B10R2.193 c1cc(cs1)OC2CC2 34a_100000106738_100000211595 [0,0,0,1,0,0|3,0,0]=4 2463 B10R2.193 c1cc(cs1)SC2CC2 62a_100000738268_100000211595 [0,0,0,1,0,0|3,0,0]=4 2464 B10R2.193 c1cc(n[nH]1)SC2CC2 62a_100000062575_100000211595 [0,0,0,1,0,0|3,0,0]=4 2465 B10R2.193 c1cc(no1)SC2CC2 62a_100009818083_100000211595 [0,0,0,1,0,0|3,0,0]=4 2466 B10R2.193 c1cc(ns1)SC2CC2 62a_100009818082_100000211595 [0,0,0,1,0,0|3,0,0]=4 2467 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [0,0,0,1,0,0|1,0,0]=2 2468 B10R2.193 c1coc(n1)SC2CC2 62a_100011787736_100000211595 [0,0,0,1,0,0|2,0,0]=3 2469 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [0,0,0,1,0,0|1,1,0]=3 2470 B10R2.193 c1csc(n1)SC2CC2 62a_100000211983_100000211595 [0,0,0,1,0,0|2,1,0]=4 2471 B10R2.193 c1nc(c[nH]1)SC2CC2 62a_100000756875_100000211595 [0,0,0,1,0,0|3,0,0]=4 2472 B10R2.193 c1nc(cs1)SC2CC2 62a_100000751502_100000211595 [0,0,0,1,0,0|3,0,0]=4 2473 B10R2.193 c1ncc(o1)SC2CC2 62a_100020591547_100000211595 [0,0,0,1,0,0|2,0,0]=3 2474 B10R2.193 c1ncc(s1)SC2CC2 62a_100011934649_100000211595 [0,0,0,1,0,0|2,1,0]=4 2475 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,0,0,0,0,1|2,0,1]=4 2476 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,0,0,0,0,1|2,0,1]=4 2477 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,0,0,0,0,1|2,0,1]=4 2478 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,1|1,0,0]=2 2479 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,1|1,0,0]=2 2480 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,1|1,0,0]=2 2481 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,0,0,0,1|1,0,0]=2 2482 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,1|1,0,0]=2 2483 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,0,0,0,1|1,0,0]=2 2484 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,0,0,0,1|2,0,0]=3 2485 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,0,0,0,1|1,0,0]=2 2486 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,0,0,0,1|2,0,0]=3 2487 B10R1.17 CCCCc1cnnnc1 271570a_100020621405_100009846058 [0,0,0,0,0,1|3,0,0]=4 2488 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,0,0,0,1|1,0,0]=2 2489 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,1|2,0,0]=3 2490 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,1|2,0,0]=3 2491 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,1|2,0,0]=3 2492 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,1|2,0,0]=3 2493 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,1|2,0,0]=3 2494 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,1|2,0,0]=3 2495 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,0,0,0,0,1|3,0,0]=4 2496 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,0,0,0,0,1|3,0,0]=4 2497 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,1|2,0,0]=3 2498 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,1|2,0,0]=3 2499 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,1|2,0,0]=3 2500 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,1|2,0,0]=3 2501 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,1|2,0,0]=3 2502 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,1|2,0,0]=3 2503 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,0,0,0,0,1|2,0,0]=3 2504 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,0,0,0,0,1|2,0,0]=3 2505 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,1|2,0,0]=3 2506 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,1|2,0,0]=3 2507 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,0,0,0,0,1|2,0,0]=3 2508 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,0,0,0,0,1|2,0,0]=3 2509 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [0,0,0,0,0,1|3,0,0]=4 2510 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [0,0,0,0,0,1|3,0,0]=4 2511 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,0,0,0,0,1|2,0,0]=3 2512 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,0,0,0,0,1|2,0,0]=3 2513 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [0,0,0,0,0,1|3,0,0]=4 2514 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [0,0,0,0,0,1|3,0,0]=4 2515 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,0,0,0,0,1|2,0,0]=3 2516 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,0,0,0,0,1|2,0,0]=3 2517 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,1|2,0,0]=3 2518 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,1|2,0,0]=3 2519 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,1|2,0,0]=3 2520 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,1|2,0,0]=3 2521 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,1|2,0,0]=3 2522 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,1|2,0,0]=3 2523 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,1|2,0,0]=3 2524 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,1|2,0,0]=3 2525 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,1|2,0,0]=3 2526 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,1|2,0,0]=3 2527 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,1|2,0,0]=3 2528 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,0,0,0,0,1|2,0,0]=3 2529 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,0,0,0,0,1|2,0,0]=3 2530 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,1|2,0,0]=3 2531 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,1|2,0,0]=3 2532 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,0,0,0,0,1|3,0,0]=4 2533 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,0,0,0,0,1|2,0,0]=3 2534 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,0,0,0,0,1|2,0,0]=3 2535 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,0,0,0,0,1|3,0,0]=4 2536 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,0,0,0,0,1|3,0,0]=4 2537 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,0,0,0,0,1|3,0,0]=4 2538 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,0,0,0,0,1|2,0,0]=3 2539 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,0,0,0,0,1|2,0,0]=3 2540 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,0,0,1|1,0,2]=4 2541 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,1|2,0,0]=3 2542 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,1|2,0,0]=3 2543 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,1|2,0,0]=3 2544 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,1|2,0,0]=3 2545 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,1|2,0,0]=3 2546 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,0,0,0,0,1|2,0,0]=3 2547 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,0,0,0,0,1|2,0,0]=3 2548 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [0,0,0,0,0,1|3,0,0]=4 2549 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,0,0,0,0,1|2,0,0]=3 2550 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,1|2,0,0]=3 2551 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,1|2,0,0]=3 2552 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,1|2,0,0]=3 2553 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,1|2,0,0]=3 2554 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,1|2,0,0]=3 2555 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,1|2,0,0]=3 2556 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,0,0,0,0,1|2,0,0]=3 2557 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,0,0,0,0,1|2,0,0]=3 2558 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,1|2,0,0]=3 2559 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,1|2,0,0]=3 2560 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,0,0,0,0,1|2,0,0]=3 2561 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,0,0,0,0,1|2,0,0]=3 2562 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,0,0,0,0,1|3,0,0]=4 2563 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,0,0,0,0,1|3,0,0]=4 2564 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,0,0,0,0,1|2,0,0]=3 2565 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,0,0,0,0,1|2,0,0]=3 2566 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,1|2,0,0]=3 2567 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,1|2,0,0]=3 2568 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,1|2,0,0]=3 2569 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,1|2,0,0]=3 2570 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,1|2,0,0]=3 2571 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,1|2,0,0]=3 2572 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,1|2,0,0]=3 2573 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,1|2,0,0]=3 2574 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,1|2,0,0]=3 2575 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,1|2,0,0]=3 2576 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,1|2,0,0]=3 2577 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,1|2,0,0]=3 2578 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,1|3,0,0]=4 2579 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,1|2,0,0]=3 2580 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,1|2,0,0]=3 2581 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,1|2,0,0]=3 2582 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,1|2,0,0]=3 2583 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,1|2,0,0]=3 2584 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,1|2,0,0]=3 2585 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,0,0,0,0,1|2,0,0]=3 2586 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,0,0,0,0,1|3,0,0]=4 2587 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,1|3,0,0]=4 2588 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,1|3,0,0]=4 2589 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,1|3,0,0]=4 2590 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,1|3,0,0]=4 2591 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,1|3,0,0]=4 2592 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,1|3,0,0]=4 2593 B10R1.17 COCSc1cccnn1 62a_100000766300_100016991348 [0,0,0,0,0,1|3,0,0]=4 2594 B10R1.17 COCSc1cccnn1 62a_100016991348_100000766300 [0,0,0,0,0,1|3,0,0]=4 2595 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,1|3,0,0]=4 2596 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,1|3,0,0]=4 2597 B10R1.17 COCSc1ccncn1 62a_100000703185_100000766300 [0,0,0,0,0,1|3,0,0]=4 2598 B10R1.17 COCSc1ccncn1 62a_100000766300_100000703185 [0,0,0,0,0,1|3,0,0]=4 2599 B10R1.17 COCSc1cnccn1 62a_100000211759_100000766300 [0,0,0,0,0,1|3,0,0]=4 2600 B10R1.17 COCSc1cnccn1 62a_100000766300_100000211759 [0,0,0,0,0,1|3,0,0]=4 2601 B10R1.17 COCSc1ncccn1 62a_100000211032_100000766300 [0,0,0,0,0,1|3,0,0]=4 2602 B10R1.17 COCSc1ncccn1 62a_100000766300_100000211032 [0,0,0,0,0,1|3,0,0]=4 2603 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,1|2,0,0]=3 2604 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,1|2,0,0]=3 2605 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,1|2,0,0]=3 2606 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,1|2,0,0]=3 2607 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,1|2,0,0]=3 2608 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,1|2,0,0]=3 2609 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,1|2,0,0]=3 2610 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,1|2,0,0]=3 2611 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,1|3,0,0]=4 2612 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,1|3,0,0]=4 2613 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,1|3,0,0]=4 2614 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,1|3,0,0]=4 2615 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,1|3,0,0]=4 2616 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,1|3,0,0]=4 2617 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,1|3,0,0]=4 2618 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,1|3,0,0]=4 2619 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,1|3,0,0]=4 2620 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,1|3,0,0]=4 2621 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,1|3,0,0]=4 2622 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,1|3,0,0]=4 2623 B10R1.17 CSCSc1cccnn1 62a_100011218213_100016991348 [0,0,0,0,0,1|3,0,0]=4 2624 B10R1.17 CSCSc1cccnn1 62a_100016991348_100011218213 [0,0,0,0,0,1|3,0,0]=4 2625 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,1|3,0,0]=4 2626 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,1|3,0,0]=4 2627 B10R1.17 CSCSc1ccncn1 62a_100000703185_100011218213 [0,0,0,0,0,1|3,0,0]=4 2628 B10R1.17 CSCSc1ccncn1 62a_100011218213_100000703185 [0,0,0,0,0,1|3,0,0]=4 2629 B10R1.17 CSCSc1cnccn1 62a_100000211759_100011218213 [0,0,0,0,0,1|3,0,0]=4 2630 B10R1.17 CSCSc1cnccn1 62a_100011218213_100000211759 [0,0,0,0,0,1|3,0,0]=4 2631 B10R1.17 CSCSc1ncccn1 62a_100000211032_100011218213 [0,0,0,0,0,1|3,0,0]=4 2632 B10R1.17 CSCSc1ncccn1 62a_100011218213_100000211032 [0,0,0,0,0,1|3,0,0]=4 2633 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,1|3,0,0]=4 2634 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,1|3,0,0]=4 2635 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,1|3,0,0]=4 2636 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,0,0,0,1|3,0,0]=4 2637 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,0,0,0,1|3,0,0]=4 2638 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,0,0,0,0,1|3,0,0]=4 2639 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,1|3,0,0]=4 2640 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,1|3,0,0]=4 2641 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,1|3,0,0]=4 2642 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,1|3,0,0]=4 2643 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,0,0,0,1|3,0,0]=4 2644 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,0,0,0,1|3,0,0]=4 2645 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [0,0,0,0,0,1|3,0,0]=4 2646 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [0,0,0,0,0,1|3,0,0]=4 2647 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,0,0,0,0,1|3,0,0]=4 2648 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,0,0,0,0,1|3,0,0]=4 2649 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,0,0,0,0,1|3,0,0]=4 2650 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,0,0,0,0,1|3,0,0]=4 2651 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,0,0,0,0,1|3,0,0]=4 2652 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,0,0,0,0,1|3,0,0]=4 2653 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [0,0,0,0,0,1|3,0,0]=4 2654 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [0,0,0,0,0,1|3,0,0]=4 2655 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,1|3,0,0]=4 2656 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,1|3,0,0]=4 2657 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,1|3,0,0]=4 2658 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,1|3,0,0]=4 2659 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,1|3,0,0]=4 2660 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,1|3,0,0]=4 2661 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,1|3,0,0]=4 2662 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,1|3,0,0]=4 2663 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,1|3,0,0]=4 2664 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,0,0,0,0,1|3,0,0]=4 2665 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,0,0,0,0,1|3,0,0]=4 2666 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,1|3,0,0]=4 2667 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,1|3,0,0]=4 2668 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,0,0,0,0,1|3,0,0]=4 2669 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,0,0,0,0,1|3,0,0]=4 2670 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,0,0,0,0,1|3,0,0]=4 2671 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,0,0,0,0,1|3,0,0]=4 2672 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,1|3,0,0]=4 2673 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [0,0,0,0,0,1|3,0,0]=4 2674 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,0,0,0,0,1|3,0,0]=4 2675 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,0,0,0,0,1|3,0,0]=4 2676 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [0,0,0,0,0,1|3,0,0]=4 2677 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,1|3,0,0]=4 2678 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,1|3,0,0]=4 2679 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,1|3,0,0]=4 2680 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,1|3,0,0]=4 2681 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,1|3,0,0]=4 2682 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,1|3,0,0]=4 2683 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,1|3,0,0]=4 2684 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,1|3,0,0]=4 2685 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,1|3,0,0]=4 2686 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,1|3,0,0]=4 2687 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,1|3,0,0]=4 2688 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [0,0,0,0,0,1|3,0,0]=4 2689 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [0,0,0,0,0,1|3,0,0]=4 2690 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,1|3,0,0]=4 2691 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,1|3,0,0]=4 2692 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,0,0,0,0,1|3,0,0]=4 2693 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,0,0,0,0,1|3,0,0]=4 2694 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,0,0,0,0,1|3,0,0]=4 2695 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,0,0,0,0,1|3,0,0]=4 2696 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [0,0,0,0,0,1|3,0,0]=4 2697 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [0,0,0,0,0,1|3,0,0]=4 2698 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,1|2,0,0]=3 2699 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,1|2,0,0]=3 2700 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,1|2,0,0]=3 2701 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,1|2,0,0]=3 2702 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,1|2,0,0]=3 2703 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,1|2,0,0]=3 2704 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,1|2,0,0]=3 2705 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,1|2,0,0]=3 2706 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,0,0,0,0,1|2,0,0]=3 2707 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,0,0,0,0,1|3,0,0]=4 2708 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,1|2,0,0]=3 2709 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,1|2,0,0]=3 2710 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,1|2,0,0]=3 2711 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,1|2,0,0]=3 2712 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,1|2,0,0]=3 2713 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,1|2,0,0]=3 2714 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,1|2,0,0]=3 2715 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,1|2,0,0]=3 2716 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,1|3,0,0]=4 2717 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,1|3,0,0]=4 2718 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,1,0,0,0|2,0,0]=4 2719 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,1,0,0,0|2,0,0]=4 2720 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,1,0,0,0|1,0,1]=4 2721 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,1,0,0,0|1,0,1]=4 2722 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,1,0,0,0|1,0,1]=4 2723 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,1,0,0,0|1,0,1]=4 2724 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,1,0,0,0|0,0,1]=3 2725 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,1,0,0,0|0,0,1]=3 2726 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,1,0,0,0|0,0,1]=3 2727 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,1,0,0,0|1,0,1]=4 2728 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,1,0,0,0|1,0,1]=4 2729 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,1,0,0,0|1,0,1]=4 2730 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,1,0,0,0|1,0,1]=4 2731 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,1,0,0,0|1,0,1]=4 2732 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,1,0,0,0|1,0,1]=4 2733 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,1,0,0,0|1,0,1]=4 2734 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,1,0,0,0|1,0,1]=4 2735 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,1,0,0,0|1,0,1]=4 2736 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,1,0,0,0|1,0,1]=4 2737 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,1,0,0,0|1,0,1]=4 2738 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,1,0,0,0|1,0,1]=4 2739 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,1,0,0,0|1,0,1]=4 2740 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,1,0,0,0|1,0,1]=4 2741 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,1,0,0,0|0,1,1]=4 2742 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,1,0,0,0|0,1,1]=4 2743 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,1,0,0,0|1,0,1]=4 2744 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,1,0,0,0|1,0,1]=4 2745 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,1,0,0,0|1,0,1]=4 2746 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,1,0,0,0|1,0,1]=4 2747 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,1,0,0,0|1,0,1]=4 2748 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,1,0,0,0|1,0,1]=4 2749 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,1,0,0,0|1,0,1]=4 2750 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,1,0,0,0|1,0,1]=4 2751 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,1,0,0,0|1,0,1]=4 2752 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|1,0,1]=4 2753 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|1,0,1]=4 2754 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,1,0,0,0|0,0,1]=3 2755 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,1,0,0,0|1,0,1]=4 2756 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,1,0,0,0|1,0,1]=4 2757 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,1,0,0,0|1,0,1]=4 2758 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,1,0,0,0|1,0,1]=4 2759 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,1,0,0,0|1,0,1]=4 2760 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,1,0,0,0|1,0,1]=4 2761 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,1,0,0,0|1,0,1]=4 2762 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,1,0,0,0|1,0,1]=4 2763 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,1,0,0,0|1,0,1]=4 2764 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,1,0,0,0|1,0,1]=4 2765 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,1,0,0,0|0,0,2]=4 2766 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,1,0,0,0|0,0,2]=4 2767 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,1,0,0,0|2,0,0]=4 2768 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,1,0,0,0|2,0,0]=4 2769 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,1,0,0,0|2,0,0]=4 2770 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,1,0,0,0|2,0,0]=4 2771 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,1,0,0,0|2,0,0]=4 2772 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,1,0,0,0|2,0,0]=4 2773 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,1,0,0,0|2,0,0]=4 2774 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|0,0,2]=4 2775 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,1,0,0,0|1,0,1]=4 2776 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,1,0,0,0|1,0,1]=4 2777 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,1,0,0,0|1,0,1]=4 2778 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,1,0,0,0|0,0,2]=4 2779 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,1,0,0,0|0,0,2]=4 2780 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,1,0,0,0|0,0,2]=4 2781 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,1,0,0,0|0,0,2]=4 2782 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|0,0,2]=4 2783 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|1,0,0]=3 2784 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|1,0,0]=3 2785 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|1,1,0]=4 2786 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|1,1,0]=4 2787 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [2,0,0,0,0,0|2,0,0]=4 2788 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [2,0,0,0,0,0|2,0,0]=4 2789 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|2,0,0]=4 2790 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|2,0,0]=4 2791 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|1,0,0]=3 2792 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|1,0,0]=3 2793 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|1,1,0]=4 2794 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|1,1,0]=4 2795 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [2,0,0,0,0,0|2,0,0]=4 2796 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [2,0,0,0,0,0|2,0,0]=4 2797 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|2,0,0]=4 2798 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|2,0,0]=4 2799 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,1,0,0,0|0,0,2]=4 2800 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,1,0,0,0|0,0,2]=4 2801 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,1,0,0,0|0,0,2]=4 2802 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,1,0,0,0|0,0,2]=4 2803 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,1,0,0,0|0,0,2]=4 2804 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,1,1,0,0,0|1,0,1]=4 2805 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,1,0,0,0|0,0,2]=4 2806 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,1,0,0,0|0,0,2]=4 2807 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,1,1,0,0,0|0,0,2]=4 2808 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,1,1,0,0,0|0,0,2]=4 2809 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,1,1,0,0,0|0,0,2]=4 2810 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,1,1,0,0,0|0,0,2]=4 2811 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,1,1,0,0,0|0,0,2]=4 2812 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,1,1,0,0,0|0,0,2]=4 2813 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,1,0,0,0|0,0,2]=4 2814 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,1,0,0,0|0,0,2]=4 2815 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,1,1,0,0,0|0,0,2]=4 2816 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,1,1,0,0,0|0,0,2]=4 2817 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,1,0,0,0|0,0,2]=4 2818 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,1,1,0,0,0|0,0,2]=4 2819 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,1,1,0,0,0|0,0,2]=4 2820 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,1,1,0,0,0|0,0,2]=4 2821 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,1,1,0,0,0|0,0,2]=4 2822 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,1,1,0,0,0|0,0,2]=4 2823 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,1,1,0,0,0|2,0,0]=4 2824 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,1,1,0,0,0|2,0,0]=4 2825 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,1,1,0,0,0|2,0,0]=4 2826 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,1,1,0,0,0|2,0,0]=4 2827 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,1,0,0,0|1,0,0]=3 2828 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,1,1,0,0,0|2,0,0]=4 2829 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,1,0,0,0|1,0,0]=3 2830 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,1,0,0,0|1,0,0]=3 2831 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,1,1,0,0,0|2,0,0]=4 2832 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,1,1,0,0,0|2,0,0]=4 2833 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,1,1,0,0,0|2,0,0]=4 2834 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,1,1,0,0,0|2,0,0]=4 2835 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,1,0,0,0|2,0,0]=4 2836 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,1,0,0,0|2,0,0]=4 2837 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,1,0,0,0|2,0,0]=4 2838 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,1,0,0,0|2,0,0]=4 2839 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,1,0,0,0|0,0,2]=4 2840 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,1,0,0,0|0,0,2]=4 2841 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,1,0,0,0|0,0,2]=4 2842 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,1,0,0,0|0,0,2]=4 2843 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,1,0,0,0|0,0,2]=4 2844 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,1,0,0,0|0,0,2]=4 2845 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,1,0,0,0|0,0,2]=4 2846 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,1,0,0,0|0,0,2]=4 2847 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,1,0,0,0|0,0,2]=4 2848 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,1,0,0,0|1,0,1]=4 2849 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,1,0,0,0|1,0,1]=4 2850 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,1,0,0,0|1,0,1]=4 2851 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,1,0,0,0|1,0,1]=4 2852 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,1,0,0,0|1,0,1]=4 2853 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,1,0,0,0|1,0,1]=4 2854 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,1,0,0,0|1,0,1]=4 2855 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,1,0,0,0|1,0,1]=4 2856 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,1,0,0,0|1,0,1]=4 2857 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,1,0,0,0|1,0,1]=4 2858 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,1,0,0,0|1,0,1]=4 2859 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,1,0,0,0|1,0,1]=4 2860 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,1,0,0,0|1,0,1]=4 2861 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,1,0,0,0|1,0,1]=4 2862 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,1,0,0,0|1,0,1]=4 2863 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,1,0,0,0|1,0,1]=4 2864 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,1,0,0,0|1,0,1]=4 2865 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,1,0,0,0|1,0,1]=4 2866 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,1,0,0,0|1,0,1]=4 2867 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,1,0,0,0|1,0,1]=4 2868 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,1,0,0,0|1,0,1]=4 2869 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,1,0,0,0|1,0,1]=4 2870 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,1,0,0,0|1,0,1]=4 2871 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,1,0,0,0|1,0,1]=4 2872 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,1,0,0,0|0,0,2]=4 2873 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|1,0,1]=4 2874 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,1,0,0,0|2,0,0]=4 2875 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,1,0,0,0|2,0,0]=4 2876 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,1,0,0,0|0,0,2]=4 2877 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [0,1,1,0,0,0|0,0,2]=4 2878 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,1,0,0,0|0,0,1]=3 2879 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,1,1,0,0,0|1,0,1]=4 2880 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,1,1,0,0,0|1,0,1]=4 2881 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,1,1,0,0,0|1,0,1]=4 2882 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,1,1,0,0,0|1,0,1]=4 2883 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,1,1,0,0,0|1,0,1]=4 2884 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,1,1,0,0,0|0,0,2]=4 2885 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,1,1,0,0,0|0,0,2]=4 2886 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [0,1,1,0,0,0|0,0,2]=4 2887 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [0,1,1,0,0,0|0,0,2]=4 2888 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [0,1,1,0,0,0|0,0,2]=4 2889 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,1,0,0,0|2,0,0]=4 2890 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,1,0,0,0|2,0,0]=4 2891 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,1,0,0,0|2,0,0]=4 2892 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,1,0,0,0|2,0,0]=4 2893 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,1,1,0,0,0|0,0,2]=4 2894 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,1,1,0,0,0|0,0,2]=4 2895 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,1,1,0,0,0|0,0,2]=4 2896 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [0,1,1,0,0,0|0,0,2]=4 2897 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [0,1,1,0,0,0|0,0,2]=4 2898 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,1,0,0,0|0,0,2]=4 2899 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,1,0,0,0|0,0,2]=4 2900 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000210193_100000748023 [0,1,1,0,0,0|0,0,2]=4 2901 B9R0.34 C=CCC(=O)CC(C)CC 1458a_100000708755_100000210623 [0,1,1,0,0,0|0,0,2]=4 2902 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100000210193_100011218378 [0,1,1,0,0,0|0,0,2]=4 2903 B9R0.34 C=CCC(=O)CC(O)CC 1458a_100011667805_100000210623 [0,1,1,0,0,0|0,0,2]=4 2904 B9R0.34 C=CCC(=O)C[C@@H](C)CC 1458a_100000210193_100009816398 [0,1,1,0,0,0|0,0,2]=4 2905 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,1,0,0,0|1,0,1]=4 2906 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 2907 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 2908 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [0,1,1,0,0,0|0,0,2]=4 2909 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [0,1,1,0,0,0|0,0,2]=4 2910 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [0,1,1,0,0,0|0,0,2]=4 2911 B9R0.34 CCC(C)CC(=O)C=CBr 1458a_100016273825_100000748023 [0,1,1,0,0,0|1,0,1]=4 2912 B9R0.34 CCC(C)CC(=O)C=CCl 1458a_200016279998_100000748023 [0,1,1,0,0,0|1,0,1]=4 2913 B9R0.34 CCC(C)CC(=O)C=CI 1458a_100016256311_100000748023 [0,1,1,0,0,0|1,0,1]=4 2914 B9R0.34 CCC(O)CC(=O)C=CBr 1458a_100016273825_100011218378 [0,1,1,0,0,0|1,0,1]=4 2915 B9R0.34 CCC(O)CC(=O)C=CCl 1458a_200016279998_100011218378 [0,1,1,0,0,0|1,0,1]=4 2916 B9R0.34 CCC(O)CC(=O)C=CI 1458a_100016256311_100011218378 [0,1,1,0,0,0|1,0,1]=4 2917 B9R0.34 CC[C@H](C)CC(=O)C=CBr 1458a_100016273825_100009816398 [0,1,1,0,0,0|1,0,1]=4 2918 B9R0.34 CC[C@H](C)CC(=O)C=CCl 1458a_200016279998_100009816398 [0,1,1,0,0,0|1,0,1]=4 2919 B9R0.34 CC[C@H](C)CC(=O)C=CI 1458a_100016256311_100009816398 [0,1,1,0,0,0|1,0,1]=4 2920 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,1,1,0,0,0|0,0,2]=4 2921 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,1,1,0,0,0|0,0,2]=4 2922 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,1,1,0,0,0|0,0,2]=4 2923 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,1,1,0,0,0|0,0,2]=4 2924 B9R0.35 CCCC(C)C(=O)C=CBr 1458a_100016273825_100000766640 [0,1,1,0,0,0|1,0,1]=4 2925 B9R0.35 CCCC(C)C(=O)C=CCl 1458a_200016279998_100000766640 [0,1,1,0,0,0|1,0,1]=4 2926 B9R0.35 CCCC(C)C(=O)C=CI 1458a_100016256311_100000766640 [0,1,1,0,0,0|1,0,1]=4 2927 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,1,1,0,0,0|0,0,2]=4 2928 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,1,1,0,0,0|0,0,2]=4 2929 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,1,1,0,0,0|0,0,2]=4 2930 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,1,1,0,0,0|0,0,2]=4 2931 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,1,1,0,0,0|0,0,2]=4 2932 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,1,1,0,0,0|0,0,2]=4 2933 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,1,1,0,0,0|0,0,2]=4 2934 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,1,1,0,0,0|2,0,0]=4 2935 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,1,1,0,0,0|2,0,0]=4 2936 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,1,1,0,0,0|2,0,0]=4 2937 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,1,1,0,0,0|2,0,0]=4 2938 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,1,1,0,0,0|2,0,0]=4 2939 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,1,1,0,0,0|1,0,1]=4 2940 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,1,1,0,0,0|1,0,1]=4 2941 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,1,1,0,0,0|1,0,1]=4 2942 B9R0.48 CC(O)CCC(=O)C=CBr 1458a_100016273825_100012276601 [0,1,1,0,0,0|1,0,1]=4 2943 B9R0.48 CC(O)CCC(=O)C=CCl 1458a_200016279998_100012276601 [0,1,1,0,0,0|1,0,1]=4 2944 B9R0.48 CC(O)CCC(=O)C=CI 1458a_100016256311_100012276601 [0,1,1,0,0,0|1,0,1]=4 2945 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,1,1,0,0,0|0,0,2]=4 2946 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,1,1,0,0,0|0,0,2]=4 2947 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,1,1,0,0,0|2,0,0]=4 2948 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [0,1,1,0,0,0|2,0,0]=4 2949 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,1,0,0,0|0,0,2]=4 2950 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,1,0,0,0|0,0,2]=4 2951 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,1,0,0,0|0,0,2]=4 2952 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,1,0,0,0|0,0,2]=4 2953 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,1,0,0,0|0,0,2]=4 2954 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,1,0,0,0|0,0,2]=4 2955 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,1,1,0,0,0|0,0,2]=4 2956 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,1,1,0,0,0|0,0,2]=4 2957 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,1,1,0,0,0|0,0,2]=4 2958 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,1,1,0,0,0|0,0,2]=4 2959 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,1,1,0,0,0|0,0,2]=4 2960 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,1,1,0,0,0|0,0,2]=4 2961 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,1,0,0,0|0,0,2]=4 2962 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,1,0,0,0|0,0,2]=4 2963 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,1,0,0,0|0,0,2]=4 2964 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,1,0,0,0|0,0,2]=4 2965 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,1,1,0,0,0|1,0,0]=3 2966 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,1,1,0,0,0|2,0,0]=4 2967 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,1,1,0,0,0|2,0,0]=4 2968 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [0,1,1,0,0,0|2,0,0]=4 2969 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,1,0,0,0|0,0,2]=4 2970 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,1,0,0,0|0,0,2]=4 2971 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,1,0,0,0|0,0,2]=4 2972 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,1,0,0,0|0,0,2]=4 2973 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,1,0,0,0|0,0,2]=4 2974 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,1,0,0,0|0,0,2]=4 2975 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,1,1,0,0,0|0,0,2]=4 2976 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,1,1,0,0,0|0,0,2]=4 2977 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,1,1,0,0,0|0,0,2]=4 2978 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,1,1,0,0,0|0,0,2]=4 2979 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,1,0,0,0|0,0,2]=4 2980 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,1,0,0,0|0,0,2]=4 2981 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,1,0,0,0|0,0,2]=4 2982 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,1,1,0,0,0|0,0,2]=4 2983 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,1,1,0,0,0|0,0,2]=4 2984 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,1,1,0,0,0|0,0,2]=4 2985 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,1,1,0,0,0|0,0,2]=4 2986 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,1,1,0,0,0|0,0,2]=4 2987 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,1,1,0,0,0|0,0,2]=4 2988 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,1,1,0,0,0|0,0,2]=4 2989 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [0,1,1,0,0,0|0,0,2]=4 2990 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [0,1,1,0,0,0|0,0,2]=4 2991 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [0,1,1,0,0,0|0,0,2]=4 2992 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [0,1,1,0,0,0|0,0,2]=4 2993 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,1,1,0,0,0|0,0,2]=4 2994 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,1,1,0,0,0|0,0,2]=4 2995 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,1,1,0,0,0|0,0,2]=4 2996 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,1,1,0,0,0|0,0,2]=4 2997 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,1,1,0,0,0|0,0,2]=4 2998 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,1,1,0,0,0|0,0,2]=4 2999 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,1,1,0,0,0|0,0,2]=4 3000 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,1,1,0,0,0|0,0,2]=4 3001 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,1,1,0,0,0|0,0,2]=4 3002 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,1,1,0,0,0|0,0,2]=4 3003 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,1,1,0,0,0|0,0,2]=4 3004 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,1,1,0,0,0|0,0,2]=4 3005 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,1,1,0,0,0|0,0,2]=4 3006 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,1,0,0,0|0,0,2]=4 3007 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,1,0,0,0|0,0,2]=4 3008 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,1,1,0,0,0|0,0,2]=4 3009 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,1,1,0,0,0|0,0,2]=4 3010 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,1,1,0,0,0|0,0,2]=4 3011 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,1,1,0,0,0|0,0,2]=4 3012 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,1,1,0,0,0|0,0,2]=4 3013 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,1,1,0,0,0|0,0,2]=4 3014 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,1,1,0,0,0|0,0,2]=4 3015 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,1,1,0,0,0|0,0,2]=4 3016 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,1,1,0,0,0|0,0,2]=4 3017 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,1,1,0,0,0|0,0,2]=4 3018 B9R0.46 C=CC(=NNCCCC)C 4a_100025702795_200015361842 [0,1,1,0,0,0|2,0,0]=4 3019 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,1,0,0,0|1,0,1]=4 3020 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,1,0,0,0|2,0,0]=4 3021 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,1,0,0,0|1,0,1]=4 3022 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,1,0,0,0|1,0,1]=4 3023 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,1,0,0,0|2,0,0]=4 3024 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,1,0,0,0|1,0,1]=4 3025 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,1,0,0,0|1,0,1]=4 3026 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,1,0,0,0|1,0,1]=4 3027 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,1,0,0,0|1,0,1]=4 3028 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [0,1,1,0,0,0|0,0,2]=4 3029 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,1,1,0,0,0|0,0,2]=4 3030 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,1,0,0,0|1,0,1]=4 3031 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,1,0,0,0|1,0,1]=4 3032 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,1,0,0,0|2,0,0]=4 3033 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 3034 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,1,0,0,0|2,0,0]=4 3035 B9R0.50 C=CC(C=C)OCCCC 34a_100000033096_100000210210 [0,1,1,0,0,0|1,0,1]=4 3036 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,1,1,0,0,0|0,0,2]=4 3037 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,1,1,0,0,0|0,0,2]=4 3038 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,1,1,0,0,0|0,0,2]=4 3039 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,1,1,0,0,0|0,0,2]=4 3040 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|0,1,0]=3 3041 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [1,1,0,0,0,0|2,0,0]=4 3042 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,1,0,0,0,0|2,0,0]=4 3043 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [1,1,0,0,0,0|2,0,0]=4 3044 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [1,1,0,0,0,0|2,0,0]=4 3045 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,1,0,0,0,0|1,1,0]=4 3046 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,1,0,0,0,0|1,1,0]=4 3047 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [1,1,0,0,0,0|1,1,0]=4 3048 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [1,1,0,0,0,0|1,1,0]=4 3049 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,1,0,0,0,0|1,1,0]=4 3050 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,1,0,0,0,0|1,1,0]=4 3051 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [1,1,0,0,0,0|2,0,0]=4 3052 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [1,1,0,0,0,0|1,0,0]=3 3053 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [1,1,0,0,0,0|1,1,0]=4 3054 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [1,1,0,0,0,0|1,1,0]=4 3055 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [1,1,0,0,0,0|1,1,0]=4 3056 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [1,1,0,0,0,0|1,1,0]=4 3057 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [1,1,0,0,0,0|1,1,0]=4 3058 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [1,1,0,0,0,0|1,1,0]=4 3059 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [1,1,0,0,0,0|1,1,0]=4 3060 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [1,1,0,0,0,0|1,1,0]=4 3061 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [1,1,0,0,0,0|1,1,0]=4 3062 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [1,1,0,0,0,0|1,1,0]=4 3063 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [1,1,0,0,0,0|1,1,0]=4 3064 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [1,1,0,0,0,0|1,1,0]=4 3065 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [1,1,0,0,0,0|1,1,0]=4 3066 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [1,1,0,0,0,0|1,1,0]=4 3067 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [1,1,0,0,0,0|1,1,0]=4 3068 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3069 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [1,1,0,0,0,0|2,0,0]=4 3070 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3071 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [1,1,0,0,0,0|2,0,0]=4 3072 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [1,1,0,0,0,0|2,0,0]=4 3073 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [1,1,0,0,0,0|2,0,0]=4 3074 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [1,1,0,0,0,0|2,0,0]=4 3075 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [1,1,0,0,0,0|2,0,0]=4 3076 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [1,1,0,0,0,0|2,0,0]=4 3077 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [1,1,0,0,0,0|2,0,0]=4 3078 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [1,1,0,0,0,0|2,0,0]=4 3079 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [1,1,0,0,0,0|1,0,0]=3 3080 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [1,1,0,0,0,0|1,0,0]=3 3081 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [1,1,0,0,0,0|1,0,0]=3 3082 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,1,0,0,0,0|1,0,0]=3 3083 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,1,0,0,0,0|1,0,0]=3 3084 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3085 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [1,1,0,0,0,0|1,0,0]=3 3086 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [1,1,0,0,0,0|1,0,0]=3 3087 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [1,1,0,0,0,0|1,0,0]=3 3088 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [1,1,0,0,0,0|1,0,0]=3 3089 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [1,1,0,0,0,0|1,1,0]=4 3090 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [1,1,0,0,0,0|1,1,0]=4 3091 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [1,1,0,0,0,0|1,1,0]=4 3092 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [1,1,0,0,0,0|1,1,0]=4 3093 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [1,1,0,0,0,0|1,1,0]=4 3094 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [1,1,0,0,0,0|1,1,0]=4 3095 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [1,1,0,0,0,0|1,1,0]=4 3096 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [1,1,0,0,0,0|1,1,0]=4 3097 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [1,1,0,0,0,0|1,1,0]=4 3098 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [1,1,0,0,0,0|1,1,0]=4 3099 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [1,1,0,0,0,0|1,1,0]=4 3100 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [1,1,0,0,0,0|1,1,0]=4 3101 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [1,1,0,0,0,0|1,1,0]=4 3102 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [1,1,0,0,0,0|1,1,0]=4 3103 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [1,1,0,0,0,0|2,0,0]=4 3104 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [1,1,0,0,0,0|2,0,0]=4 3105 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 3106 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 3107 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [1,1,0,0,0,0|1,1,0]=4 3108 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [1,1,0,0,0,0|1,1,0]=4 3109 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [1,1,0,0,0,0|1,1,0]=4 3110 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [1,1,0,0,0,0|1,1,0]=4 3111 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [1,1,0,0,0,0|1,1,0]=4 3112 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [1,1,0,0,0,0|1,1,0]=4 3113 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [1,1,0,0,0,0|2,0,0]=4 3114 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [1,1,0,0,0,0|2,0,0]=4 3115 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [1,1,0,0,0,0|2,0,0]=4 3116 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [1,1,0,0,0,0|1,0,0]=3 3117 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [1,1,0,0,0,0|1,0,0]=3 3118 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,1,0,0,0,0|1,0,0]=3 3119 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,1,0,0,0,0|1,0,0]=3 3120 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [1,1,0,0,0,0|1,1,0]=4 3121 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,1,0,0,0,0|1,1,0]=4 3122 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [1,1,0,0,0,0|1,1,0]=4 3123 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|1,1,0]=4 3124 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|1,1,0]=4 3125 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [1,1,0,0,0,0|2,0,0]=4 3127 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3128 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [1,1,0,0,0,0|2,0,0]=4 3129 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [1,1,0,0,0,0|1,1,0]=4 3130 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [1,1,0,0,0,0|1,1,0]=4 3131 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|1,1,0]=4 3132 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|1,1,0]=4 3133 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [1,1,0,0,0,0|2,0,0]=4 3134 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [1,1,0,0,0,0|2,0,0]=4 3136 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3137 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [1,1,0,0,0,0|2,0,0]=4 3138 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,1,0,0,0,0|1,0,0]=3 3139 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,1,0,0,0,0|1,0,0]=3 3140 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,1,0,0,0,0|1,0,0]=3 3141 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [1,1,0,0,0,0|1,1,0]=4 3142 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,1,0,0,0,0|1,1,0]=4 3143 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 3144 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 3145 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [1,1,0,0,0,0|1,1,0]=4 3146 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [1,1,0,0,0,0|1,1,0]=4 3147 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [1,1,0,0,0,0|1,1,0]=4 3148 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [1,1,0,0,0,0|1,1,0]=4 3149 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [1,1,0,0,0,0|1,1,0]=4 3150 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [1,1,0,0,0,0|1,1,0]=4 3151 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3152 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3153 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [1,1,0,0,0,0|1,0,0]=3 3154 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [1,1,0,0,0,0|1,1,0]=4 3155 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [1,1,0,0,0,0|1,1,0]=4 3156 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [1,1,0,0,0,0|1,1,0]=4 3157 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [1,1,0,0,0,0|2,0,0]=4 3158 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [1,1,0,0,0,0|1,0,0]=3 3159 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [1,1,0,0,0,0|1,0,0]=3 3160 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|1,1,0]=4 3161 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|1,1,0]=4 3162 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [1,1,0,0,0,0|2,0,0]=4 3163 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [1,1,0,0,0,0|2,0,0]=4 3164 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [1,1,0,0,0,0|1,1,0]=4 3165 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [1,1,0,0,0,0|1,1,0]=4 3166 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|1,1,0]=4 3167 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|1,1,0]=4 3168 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [1,1,0,0,0,0|1,1,0]=4 3169 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,1,0,0,0,0|2,0,0]=4 3170 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [1,1,0,0,0,0|1,1,0]=4 3171 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [1,1,0,0,0,0|1,1,0]=4 3172 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,1,0,0,0,0|1,0,0]=3 3173 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,1,0,0,0,0|1,0,0]=3 3174 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,1,0,0,0,0|1,0,0]=3 3175 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,1,0,0,0,0|1,1,0]=4 3176 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,1,0,0,0,0|1,0,0]=3 3177 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,1,0,0,0,0|1,1,0]=4 3178 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,1,0,0,0,0|1,0,0]=3 3179 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,1,0,0,0,0|1,0,0]=3 3180 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,1,0,0,0,0|0,0,2]=4 3181 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,1,0,0,0,0|1,0,1]=4 3182 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,1,0,0,0,0|0,0,1]=3 3183 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,1,0,0,0,0|0,1,1]=4 3184 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,1,0,0,0,0|1,0,1]=4 3185 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,1,0,0,0,0|1,0,0]=3 3186 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,1,0,0,0,0|1,0,0]=3 3187 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,1,0,0,0,0|1,1,0]=4 3188 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,1,0,0,0,0|1,1,0]=4 3189 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [1,1,0,0,0,0|2,0,0]=4 3190 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [1,1,0,0,0,0|2,0,0]=4 3191 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [1,1,0,0,0,0|2,0,0]=4 3192 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [1,1,0,0,0,0|2,0,0]=4 3193 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,1,0,0,0,0|1,0,0]=3 3194 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,1,0,0,0,0|1,0,0]=3 3195 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,1,0,0,0,0|1,0,0]=3 3196 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,1,0,0,0,0|1,1,0]=4 3197 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,1,0,0,0,0|1,1,0]=4 3198 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,1,0,0,0,0|1,1,0]=4 3199 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [1,1,0,0,0,0|2,0,0]=4 3200 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [1,1,0,0,0,0|2,0,0]=4 3201 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [1,1,0,0,0,0|2,0,0]=4 3202 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [1,1,0,0,0,0|2,0,0]=4 3203 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,1,0,0,0,0|1,0,0]=3 3204 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,1,0,0,0,0|1,0,0]=3 3205 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,1,0,0,0,0|1,1,0]=4 3206 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,1,0,0,0,0|1,1,0]=4 3207 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,1,0,0,0,0|1,0,1]=4 3208 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,1,0,0,0,0|0,0,1]=3 3209 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,1,0,0,0,0|0,1,1]=4 3210 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [1,1,0,0,0,0|1,1,0]=4 3211 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [1,1,0,0,0,0|1,1,0]=4 3212 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,1,0,0,0,0|1,1,0]=4 3213 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,1,0,0,0,0|1,1,0]=4 3214 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [1,1,0,0,0,0|2,0,0]=4 3215 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [1,1,0,0,0,0|2,0,0]=4 3216 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [1,1,0,0,0,0|1,0,0]=3 3217 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,1,0,0,0,0|1,0,0]=3 3218 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,1,0,0,0,0|1,0,0]=3 3219 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [1,1,0,0,0,0|1,1,0]=4 3220 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [1,1,0,0,0,0|1,1,0]=4 3221 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [1,1,0,0,0,0|1,1,0]=4 3222 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [1,1,0,0,0,0|1,1,0]=4 3223 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [1,1,0,0,0,0|1,1,0]=4 3224 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [1,1,0,0,0,0|1,1,0]=4 3225 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [1,1,0,0,0,0|1,1,0]=4 3226 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [1,1,0,0,0,0|1,1,0]=4 3227 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [1,1,0,0,0,0|1,1,0]=4 3228 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [1,1,0,0,0,0|1,1,0]=4 3229 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [1,1,0,0,0,0|1,1,0]=4 3230 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [1,1,0,0,0,0|1,0,0]=3 3231 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [1,1,0,0,0,0|1,0,0]=3 3232 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [1,1,0,0,0,0|2,0,0]=4 3234 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [1,1,0,0,0,0|2,0,0]=4 3235 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [1,1,0,0,0,0|1,1,0]=4 3236 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [1,1,0,0,0,0|1,1,0]=4 3237 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [1,1,0,0,0,0|1,1,0]=4 3238 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [1,1,0,0,0,0|1,1,0]=4 3239 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [1,1,0,0,0,0|1,1,0]=4 3240 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [1,1,0,0,0,0|1,0,0]=3 3241 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [1,1,0,0,0,0|1,0,0]=3 3242 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [1,1,0,0,0,0|1,1,0]=4 3243 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [1,1,0,0,0,0|1,1,0]=4 3244 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [1,1,0,0,0,0|1,1,0]=4 3245 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [1,1,0,0,0,0|1,1,0]=4 3246 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [1,1,0,0,0,0|2,0,0]=4 3247 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [1,1,0,0,0,0|2,0,0]=4 3248 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [1,1,0,0,0,0|2,0,0]=4 3249 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [1,1,0,0,0,0|2,0,0]=4 3250 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [1,1,0,0,0,0|1,1,0]=4 3251 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [1,1,0,0,0,0|1,1,0]=4 3252 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [1,1,0,0,0,0|1,1,0]=4 3253 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [1,1,0,0,0,0|1,1,0]=4 3254 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [1,1,0,0,0,0|1,1,0]=4 3255 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,1,0,0,0,1|1,0,0]=3 3256 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,0,0,1|1,0,0]=3 3257 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,1,0,0,0,1|1,0,0]=3 3258 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,1|1,0,0]=3 3259 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,1|1,0,0]=3 3260 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,1|1,0,0]=3 3261 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,1|1,0,0]=3 3262 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,1|1,0,0]=3 3263 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,1|1,0,0]=3 3264 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,1|1,0,0]=3 3265 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,0,0,0,1|1,0,0]=3 3266 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,1|1,0,0]=3 3267 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,0,0,0,1|1,0,0]=3 3268 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,0,0,0,1|1,0,0]=3 3269 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,0,0,0,1|1,0,0]=3 3270 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,1|1,0,0]=3 3271 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,0,0,0,1|1,0,0]=3 3272 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,1|1,0,0]=3 3273 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,0,0,0,1|1,0,0]=3 3274 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,0,0,0,1|1,0,0]=3 3275 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,0,0,0,1|1,0,0]=3 3276 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [0,1,0,0,0,1|1,0,0]=3 3277 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [0,1,0,0,0,1|1,0,0]=3 3278 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [0,1,0,0,0,1|2,0,0]=4 3279 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [0,1,0,0,0,1|1,0,0]=3 3280 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [0,1,0,0,0,1|1,0,0]=3 3281 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [0,1,0,0,0,1|1,0,0]=3 3282 B11R1.1 CCCCc1cnc(nc1)Br 271570a_100020621405_200012349914 [0,1,0,0,0,1|2,0,0]=4 3283 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [0,1,0,0,0,1|2,0,0]=4 3284 B11R1.1 CCCCc1cnc(nc1)F 271570a_100020621405_100000685262 [0,1,0,0,0,1|2,0,0]=4 3285 B11R1.1 CCCCc1cnc(nc1)N 271570a_100020621405_100000760574 [0,1,0,0,0,1|2,0,0]=4 3286 B11R1.1 CCCCc1cnc(nn1)N 271570a_100020621405_100000691435 [0,1,0,0,0,1|2,0,0]=4 3287 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [0,1,0,0,0,1|1,0,0]=3 3288 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [0,1,0,0,0,1|1,0,0]=3 3289 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [0,1,0,0,0,1|1,0,0]=3 3290 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [0,1,0,0,0,1|1,0,0]=3 3291 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [0,1,0,0,0,1|1,0,0]=3 3292 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [0,1,0,0,0,1|1,0,0]=3 3293 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,1|2,0,0]=4 3294 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,1|2,0,0]=4 3295 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,1|2,0,0]=4 3296 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,1|2,0,0]=4 3297 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,1|2,0,0]=4 3298 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,1|2,0,0]=4 3299 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,1|2,0,0]=4 3300 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,1|2,0,0]=4 3301 B11R1.1 CCCNc1ccc(nn1)O 271570a_203496583355_100000215239 [0,1,0,0,0,1|2,0,0]=4 3302 B11R1.1 CCCNc1ncc(cn1)O 271570a_203496583355_200011938755 [0,1,0,0,0,1|2,0,0]=4 3303 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,1,0,0,0,1|2,0,0]=4 3304 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,1|2,0,0]=4 3305 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,1|2,0,0]=4 3306 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,1|2,0,0]=4 3307 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,1|2,0,0]=4 3308 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,1|2,0,0]=4 3309 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,1|2,0,0]=4 3310 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,1|2,0,0]=4 3311 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,1|2,0,0]=4 3312 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,1|2,0,0]=4 3313 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,1|2,0,0]=4 3314 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,1|2,0,0]=4 3315 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,1|2,0,0]=4 3316 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,0,0,0,1|2,0,0]=4 3317 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,0,0,0,1|2,0,0]=4 3318 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,0,0,0,1|2,0,0]=4 3319 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,1|2,0,0]=4 3320 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,1,0,0,0,1|2,0,0]=4 3321 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,1,0,0,0,1|2,0,0]=4 3322 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,0,0,0,1|2,0,0]=4 3323 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,0,0,0,1|2,0,0]=4 3324 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,1,0,0,0,1|2,0,0]=4 3325 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,1,0,0,0,1|2,0,0]=4 3326 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,1,0,0,0,1|2,0,0]=4 3327 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,1,0,0,0,1|2,0,0]=4 3328 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,1,0,0,0,1|2,0,0]=4 3329 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,1,0,0,0,1|2,0,0]=4 3330 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,1,0,0,0,1|2,0,0]=4 3331 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,1,0,0,0,1|2,0,0]=4 3332 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,0,0,1|2,0,0]=4 3333 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [0,1,0,0,0,1|2,0,0]=4 3334 B11R1.1 CCCOc1cnc(cn1)Br 34a_100011934580_100000210303 [0,1,0,0,0,1|2,0,0]=4 3335 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [0,1,0,0,0,1|2,0,0]=4 3336 B11R1.1 CCCOc1ncc(cn1)F 34a_100011934040_100000210303 [0,1,0,0,0,1|2,0,0]=4 3337 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [0,1,0,0,0,1|2,0,0]=4 3338 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [0,1,0,0,0,1|2,0,0]=4 3339 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [0,1,0,0,0,1|2,0,0]=4 3340 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100000210303_100009820020 [0,1,0,0,0,1|2,0,0]=4 3341 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210303 [0,1,0,0,0,1|2,0,0]=4 3342 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,1|2,0,0]=4 3343 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,1|2,0,0]=4 3344 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,1|2,0,0]=4 3345 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,1|2,0,0]=4 3346 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,1|2,0,0]=4 3347 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,1|2,0,0]=4 3348 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,1|2,0,0]=4 3349 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,1|2,0,0]=4 3350 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,1|2,0,0]=4 3351 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,1|2,0,0]=4 3352 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,1|2,0,0]=4 3353 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,1|2,0,0]=4 3354 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [0,1,0,0,0,1|2,0,0]=4 3355 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [0,1,0,0,0,1|2,0,0]=4 3356 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,1,0,0,0,1|2,0,0]=4 3357 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,1,0,0,0,1|2,0,0]=4 3358 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [0,1,0,0,0,1|2,0,0]=4 3359 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [0,1,0,0,0,1|2,0,0]=4 3360 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [0,1,0,0,0,1|2,0,0]=4 3361 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [0,1,0,0,0,1|2,0,0]=4 3362 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [0,1,0,0,0,1|2,0,0]=4 3363 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [0,1,0,0,0,1|2,0,0]=4 3364 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,1,0,0,0,1|2,0,0]=4 3365 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,1,0,0,0,1|2,0,0]=4 3366 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [0,1,0,0,0,1|2,0,0]=4 3367 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [0,1,0,0,0,1|2,0,0]=4 3368 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [0,1,0,0,0,1|2,0,0]=4 3369 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [0,1,0,0,0,1|2,0,0]=4 3370 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [0,1,0,0,0,1|2,0,0]=4 3371 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [0,1,0,0,0,1|2,0,0]=4 3372 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [0,1,0,0,0,1|2,0,0]=4 3373 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [0,1,0,0,0,1|2,0,0]=4 3374 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [0,1,0,0,0,1|2,0,0]=4 3375 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [0,1,0,0,0,1|2,0,0]=4 3376 B11R1.1 CCCSc1ccc(nn1)C 62a_100000210303_100000744512 [0,1,0,0,0,1|2,0,0]=4 3377 B11R1.1 CCCSc1ccc(nn1)C 62a_100000744512_100000210303 [0,1,0,0,0,1|2,0,0]=4 3378 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000068654_100000210303 [0,1,0,0,0,1|2,0,0]=4 3379 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000210303_100000068654 [0,1,0,0,0,1|2,0,0]=4 3380 B11R1.1 CCCSc1ccc(nn1)N 62a_100000210303_100010219413 [0,1,0,0,0,1|2,0,0]=4 3381 B11R1.1 CCCSc1ccc(nn1)N 62a_100010219413_100000210303 [0,1,0,0,0,1|2,0,0]=4 3382 B11R1.1 CCCSc1cnc(cn1)Br 62a_100000210303_100010187541 [0,1,0,0,0,1|2,0,0]=4 3383 B11R1.1 CCCSc1cnc(cn1)Br 62a_100010187541_100000210303 [0,1,0,0,0,1|2,0,0]=4 3384 B11R1.1 CCCSc1cnc(cn1)C 62a_100000210303_100011999403 [0,1,0,0,0,1|2,0,0]=4 3385 B11R1.1 CCCSc1cnc(cn1)C 62a_100011999403_100000210303 [0,1,0,0,0,1|2,0,0]=4 3386 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100000210303_100010214907 [0,1,0,0,0,1|2,0,0]=4 3387 B11R1.1 CCCSc1cnc(cn1)Cl 62a_100010214907_100000210303 [0,1,0,0,0,1|2,0,0]=4 3388 B11R1.1 CCCSc1cnc(cn1)F 62a_100000210303_100009856528 [0,1,0,0,0,1|2,0,0]=4 3389 B11R1.1 CCCSc1cnc(cn1)F 62a_100009856528_100000210303 [0,1,0,0,0,1|2,0,0]=4 3390 B11R1.1 CCCSc1cnc(cn1)N 62a_100000210303_100000744751 [0,1,0,0,0,1|2,0,0]=4 3391 B11R1.1 CCCSc1cnc(cn1)N 62a_100000744751_100000210303 [0,1,0,0,0,1|2,0,0]=4 3392 B11R1.1 CCCSc1cnc(cn1)O 62a_100000210303_100015839800 [0,1,0,0,0,1|2,0,0]=4 3393 B11R1.1 CCCSc1cnc(cn1)O 62a_100011934580_100000210303 [0,1,0,0,0,1|2,0,0]=4 3394 B11R1.1 CCCSc1ncc(cn1)Br 62a_100000210303_100000690281 [0,1,0,0,0,1|2,0,0]=4 3395 B11R1.1 CCCSc1ncc(cn1)Br 62a_100000690281_100000210303 [0,1,0,0,0,1|2,0,0]=4 3396 B11R1.1 CCCSc1ncc(cn1)C 62a_100000061069_100000210303 [0,1,0,0,0,1|2,0,0]=4 3397 B11R1.1 CCCSc1ncc(cn1)C 62a_100000210303_100000061069 [0,1,0,0,0,1|2,0,0]=4 3398 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100000210303_100011356929 [0,1,0,0,0,1|2,0,0]=4 3399 B11R1.1 CCCSc1ncc(cn1)Cl 62a_100011356929_100000210303 [0,1,0,0,0,1|2,0,0]=4 3400 B11R1.1 CCCSc1ncc(cn1)F 62a_100000210303_100000685220 [0,1,0,0,0,1|2,0,0]=4 3401 B11R1.1 CCCSc1ncc(cn1)F 62a_100000685220_100000210303 [0,1,0,0,0,1|2,0,0]=4 3402 B11R1.1 CCCSc1ncc(cn1)N 62a_100000068403_100000210303 [0,1,0,0,0,1|2,0,0]=4 3403 B11R1.1 CCCSc1ncc(cn1)N 62a_100000210303_100000068403 [0,1,0,0,0,1|2,0,0]=4 3404 B11R1.1 CCCSc1ncc(cn1)O 271570a_203496583355_200011939516 [0,1,0,0,0,1|2,0,0]=4 3405 B11R1.1 CCCSc1ncc(cn1)O 62a_100000210303_100000092845 [0,1,0,0,0,1|2,0,0]=4 3406 B11R1.1 CCCSc1ncc(cn1)O 62a_100000730009_100000210303 [0,1,0,0,0,1|2,0,0]=4 3407 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [0,1,0,0,0,1|2,0,0]=4 3408 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [0,1,0,0,0,1|2,0,0]=4 3409 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,1|2,0,0]=4 3410 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,1|2,0,0]=4 3411 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,1|2,0,0]=4 3412 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,1|2,0,0]=4 3413 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,1|2,0,0]=4 3414 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,1|2,0,0]=4 3415 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,1|2,0,0]=4 3416 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,1|2,0,0]=4 3417 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,1|2,0,0]=4 3418 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,1|2,0,0]=4 3419 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,1|2,0,0]=4 3420 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,1|2,0,0]=4 3421 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,1|2,0,0]=4 3422 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,1|2,0,0]=4 3423 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,1|2,0,0]=4 3424 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,1|2,0,0]=4 3425 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,1|2,0,0]=4 3426 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,1|2,0,0]=4 3427 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,1|2,0,0]=4 3428 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,1|2,0,0]=4 3429 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,1|2,0,0]=4 3430 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,1|2,0,0]=4 3431 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,1|2,0,0]=4 3432 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,1|2,0,0]=4 3433 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,1|2,0,0]=4 3434 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,1|2,0,0]=4 3435 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [0,1,0,0,0,1|2,0,0]=4 3436 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [0,1,0,0,0,1|2,0,0]=4 3437 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [0,1,0,0,0,1|2,0,0]=4 3438 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [0,1,0,0,0,1|2,0,0]=4 3439 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,0,0,0,1|2,0,0]=4 3440 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,0,0,0,1|2,0,0]=4 3441 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,0,0,0,1|2,0,0]=4 3442 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,0,0,0,1|2,0,0]=4 3443 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,1,0,0,0,1|2,0,0]=4 3444 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,1,0,0,0,1|2,0,0]=4 3445 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,1,0,0,0,1|2,0,0]=4 3446 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,1,0,0,0,1|2,0,0]=4 3447 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [0,1,0,0,0,1|2,0,0]=4 3448 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [0,1,0,0,0,1|2,0,0]=4 3449 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [0,1,0,0,0,1|2,0,0]=4 3450 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [0,1,0,0,0,1|2,0,0]=4 3451 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [0,1,0,0,0,1|2,0,0]=4 3452 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [0,1,0,0,0,1|2,0,0]=4 3453 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [0,1,0,0,0,1|2,0,0]=4 3454 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [0,1,0,0,0,1|2,0,0]=4 3455 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [0,1,0,0,0,1|2,0,0]=4 3456 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [0,1,0,0,0,1|2,0,0]=4 3457 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [0,1,0,0,0,1|2,0,0]=4 3458 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [0,1,0,0,0,1|2,0,0]=4 3459 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [0,1,0,0,0,1|2,0,0]=4 3460 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [0,1,0,0,0,1|2,0,0]=4 3461 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [0,1,0,0,0,1|2,0,0]=4 3462 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [0,1,0,0,0,1|2,0,0]=4 3463 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [0,1,0,0,0,1|2,0,0]=4 3464 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [0,1,0,0,0,1|2,0,0]=4 3465 B11R1.1 CCNCc1ccc(nn1)Cl 2230a_100015525214_100016992710 [0,1,0,0,0,1|2,0,0]=4 3466 B11R1.1 CCNCc1ccc(nn1)Cl 270004a_100015525214_100000044651 [0,1,0,0,0,1|2,0,0]=4 3467 B11R1.1 CCNCc1cnc(cn1)C 2230a_100015525214_100000752025 [0,1,0,0,0,1|2,0,0]=4 3468 B11R1.1 CCNCc1cnc(cn1)C 270004a_100015525214_100000685221 [0,1,0,0,0,1|2,0,0]=4 3469 B11R1.1 CCNCc1cnc(cn1)C 34a_100132314150_100000210202 [0,1,0,0,0,1|2,0,0]=4 3470 B11R1.1 CCNCc1cnc(cn1)Cl 270004a_100015525214_100012001714 [0,1,0,0,0,1|2,0,0]=4 3471 B11R1.1 CCNCc1ncc(cn1)C 2230a_100015525214_100000685645 [0,1,0,0,0,1|2,0,0]=4 3472 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [0,1,0,0,0,1|2,0,0]=4 3473 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [0,1,0,0,0,1|2,0,0]=4 3474 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [0,1,0,0,0,1|2,0,0]=4 3475 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [0,1,0,0,0,1|2,0,0]=4 3476 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,1|2,0,0]=4 3477 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,1|2,0,0]=4 3478 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,1|2,0,0]=4 3479 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,1|2,0,0]=4 3480 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,1|2,0,0]=4 3481 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,1|2,0,0]=4 3482 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,1|2,0,0]=4 3483 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,1|2,0,0]=4 3484 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,1|2,0,0]=4 3485 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,1|2,0,0]=4 3486 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,1|2,0,0]=4 3487 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,1|2,0,0]=4 3488 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,1|2,0,0]=4 3489 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,1|2,0,0]=4 3490 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,1|2,0,0]=4 3491 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,1|2,0,0]=4 3492 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [0,1,0,0,0,1|2,0,0]=4 3493 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [0,1,0,0,0,1|2,0,0]=4 3494 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [0,1,0,0,0,1|2,0,0]=4 3495 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [0,1,0,0,0,1|2,0,0]=4 3496 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [0,1,0,0,0,1|2,0,0]=4 3497 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [0,1,0,0,0,1|2,0,0]=4 3498 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [0,1,0,0,0,1|2,0,0]=4 3499 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [0,1,0,0,0,1|2,0,0]=4 3500 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [0,1,0,0,0,1|2,0,0]=4 3501 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [0,1,0,0,0,1|2,0,0]=4 3502 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [0,1,0,0,0,1|2,0,0]=4 3503 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [0,1,0,0,0,1|2,0,0]=4 3504 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [0,1,0,0,0,1|2,0,0]=4 3505 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [0,1,0,0,0,1|2,0,0]=4 3506 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [0,1,0,0,0,1|2,0,0]=4 3507 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [0,1,0,0,0,1|2,0,0]=4 3508 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [0,1,0,0,0,1|2,0,0]=4 3509 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [0,1,0,0,0,1|2,0,0]=4 3510 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [0,1,0,0,0,1|2,0,0]=4 3511 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [0,1,0,0,0,1|2,0,0]=4 3512 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [0,1,0,0,0,1|2,0,0]=4 3513 B11R1.1 CCOCc1ccc(nn1)Cl 34a_100121572206_100016992710 [0,1,0,0,0,1|2,0,0]=4 3514 B11R1.1 CCOCc1cnc(cn1)C 34a_100011273949_100000210202 [0,1,0,0,0,1|2,0,0]=4 3515 B11R1.1 CCOCc1cnc(cn1)Cl 34a_100012002382_100000210202 [0,1,0,0,0,1|2,0,0]=4 3516 B11R1.1 CCOCc1ncc(cn1)Br 34a_100121572206_100010064664 [0,1,0,0,0,1|2,0,0]=4 3517 B11R1.1 CCOCc1ncc(cn1)C 34a_100121572206_100000685645 [0,1,0,0,0,1|2,0,0]=4 3518 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,1|2,0,0]=4 3519 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,1|2,0,0]=4 3520 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,1|2,0,0]=4 3521 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,1|2,0,0]=4 3522 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,1|2,0,0]=4 3523 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,1|2,0,0]=4 3524 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,1|2,0,0]=4 3525 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,1|2,0,0]=4 3526 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,1|2,0,0]=4 3527 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,1|2,0,0]=4 3528 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [0,1,0,0,0,1|2,0,0]=4 3529 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [0,1,0,0,0,1|2,0,0]=4 3530 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [0,1,0,0,0,1|2,0,0]=4 3531 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [0,1,0,0,0,1|2,0,0]=4 3532 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [0,1,0,0,0,1|2,0,0]=4 3533 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [0,1,0,0,0,1|2,0,0]=4 3534 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [0,1,0,0,0,1|2,0,0]=4 3535 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [0,1,0,0,0,1|2,0,0]=4 3536 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [0,1,0,0,0,1|2,0,0]=4 3537 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [0,1,0,0,0,1|2,0,0]=4 3538 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [0,1,0,0,0,1|2,0,0]=4 3539 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [0,1,0,0,0,1|2,0,0]=4 3540 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [0,1,0,0,0,1|2,0,0]=4 3541 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [0,1,0,0,0,1|2,0,0]=4 3542 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [0,1,0,0,0,1|2,0,0]=4 3543 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [0,1,0,0,0,1|2,0,0]=4 3544 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100000210202_100016992710 [0,1,0,0,0,1|2,0,0]=4 3545 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100016992710_100000210202 [0,1,0,0,0,1|2,0,0]=4 3546 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [0,1,0,0,0,1|2,0,0]=4 3547 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [0,1,0,0,0,1|2,0,0]=4 3548 B11R1.1 CCSCc1ncc(cn1)Br 62a_100000210202_100010064664 [0,1,0,0,0,1|2,0,0]=4 3549 B11R1.1 CCSCc1ncc(cn1)Br 62a_100010064664_100000210202 [0,1,0,0,0,1|2,0,0]=4 3550 B11R1.1 CCSCc1ncc(cn1)C 62a_100000210202_100000685645 [0,1,0,0,0,1|2,0,0]=4 3551 B11R1.1 CCSCc1ncc(cn1)C 62a_100000685645_100000210202 [0,1,0,0,0,1|2,0,0]=4 3552 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,1|2,0,0]=4 3553 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,1|2,0,0]=4 3554 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,1|2,0,0]=4 3555 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,1|2,0,0]=4 3556 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,1|2,0,0]=4 3557 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,1|2,0,0]=4 3558 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,1|2,0,0]=4 3559 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,1|2,0,0]=4 3560 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,1|2,0,0]=4 3561 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,1|2,0,0]=4 3562 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,1|2,0,0]=4 3563 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,1|2,0,0]=4 3564 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,1|2,0,0]=4 3565 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,1|2,0,0]=4 3566 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,1|2,0,0]=4 3567 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,1|2,0,0]=4 3568 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,1|2,0,0]=4 3569 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,1|2,0,0]=4 3570 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,1|2,0,0]=4 3571 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,1|2,0,0]=4 3572 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,1|2,0,0]=4 3573 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,1|2,0,0]=4 3574 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,1|2,0,0]=4 3575 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,1|2,0,0]=4 3576 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,1|2,0,0]=4 3577 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,1|2,0,0]=4 3578 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,1|2,0,0]=4 3579 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,1|2,0,0]=4 3580 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,1|2,0,0]=4 3581 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,1|2,0,0]=4 3582 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,1|2,0,0]=4 3583 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,1|2,0,0]=4 3584 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,1|2,0,0]=4 3585 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,1|2,0,0]=4 3586 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,1|2,0,0]=4 3587 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,1|2,0,0]=4 3588 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,1|2,0,0]=4 3589 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,1|2,0,0]=4 3590 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,1|2,0,0]=4 3591 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,1|2,0,0]=4 3592 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [0,1,0,0,0,1|2,0,0]=4 3593 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [0,1,0,0,0,1|2,0,0]=4 3594 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [0,1,0,0,0,1|2,0,0]=4 3595 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [0,1,0,0,0,1|2,0,0]=4 3596 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,1|2,0,0]=4 3597 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,1|2,0,0]=4 3598 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,1|2,0,0]=4 3599 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,1|2,0,0]=4 3600 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,1|2,0,0]=4 3601 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,1|2,0,0]=4 3602 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,1|2,0,0]=4 3603 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,1|2,0,0]=4 3604 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,1|2,0,0]=4 3605 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,1|2,0,0]=4 3606 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,1|2,0,0]=4 3607 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,1|2,0,0]=4 3608 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,1|2,0,0]=4 3609 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,1|2,0,0]=4 3610 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,1|2,0,0]=4 3611 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,1|2,0,0]=4 3612 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [0,1,0,0,0,1|2,0,0]=4 3613 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,1|2,0,0]=4 3614 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,1|2,0,0]=4 3615 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,1|2,0,0]=4 3616 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,1|2,0,0]=4 3617 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,1|2,0,0]=4 3618 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,1|2,0,0]=4 3619 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,1|2,0,0]=4 3620 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,1|2,0,0]=4 3621 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,1|2,0,0]=4 3622 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,1|2,0,0]=4 3623 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,1|2,0,0]=4 3624 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,1|2,0,0]=4 3625 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,1|2,0,0]=4 3626 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,1|2,0,0]=4 3627 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,1|2,0,0]=4 3628 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,1|2,0,0]=4 3629 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,1|2,0,0]=4 3630 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,1|2,0,0]=4 3631 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [0,1,0,0,0,1|2,0,0]=4 3632 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [0,1,0,0,0,1|2,0,0]=4 3633 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [0,1,0,0,0,1|2,0,0]=4 3634 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,1|2,0,0]=4 3635 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,1|2,0,0]=4 3636 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,1|2,0,0]=4 3637 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,1|2,0,0]=4 3638 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,1|2,0,0]=4 3639 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,1|2,0,0]=4 3640 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,1|2,0,0]=4 3641 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,1|2,0,0]=4 3642 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,1|2,0,0]=4 3643 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,1|2,0,0]=4 3644 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,1|2,0,0]=4 3645 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,1|2,0,0]=4 3646 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,1|2,0,0]=4 3647 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,1|2,0,0]=4 3648 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,1|1,0,1]=4 3649 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,1|2,0,0]=4 3650 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,1|2,0,0]=4 3651 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,1|2,0,0]=4 3652 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,1|2,0,0]=4 3653 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,1|2,0,0]=4 3654 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,1|2,0,0]=4 3655 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [0,1,0,0,0,1|2,0,0]=4 3656 B11R1.16 CCCN(C)c1ccncn1 27a_100000747261_100000703185 [0,1,0,0,0,1|2,0,0]=4 3657 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,1,0,0,0,1|2,0,0]=4 3658 B11R1.16 CCCN(C)c1ncccn1 27a_100000747261_100000211032 [0,1,0,0,0,1|2,0,0]=4 3659 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,1|2,0,0]=4 3660 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,1|2,0,0]=4 3661 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,1|2,0,0]=4 3662 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,1|2,0,0]=4 3663 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,1|2,0,0]=4 3664 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,1|2,0,0]=4 3665 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,1|2,0,0]=4 3666 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,1|2,0,0]=4 3667 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,1|2,0,0]=4 3668 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,1,0,0,0,1|2,0,0]=4 3669 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,1|2,0,0]=4 3670 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,1|2,0,0]=4 3671 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,1,0,0,0,1|2,0,0]=4 3672 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,1,0,0,0,1|2,0,0]=4 3673 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,1,0,0,0,1|2,0,0]=4 3674 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,1,0,0,0,1|2,0,0]=4 3675 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,1|2,0,0]=4 3676 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,1,0,0,0,1|2,0,0]=4 3677 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,1|2,0,0]=4 3678 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,1|2,0,0]=4 3679 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,1|2,0,0]=4 3680 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,1|2,0,0]=4 3681 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,1|2,0,0]=4 3682 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,1,0,0,0,1|2,0,0]=4 3683 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,1,0,0,0,1|2,0,0]=4 3684 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,1|2,0,0]=4 3685 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,1|2,0,0]=4 3686 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,1|2,0,0]=4 3687 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,1|2,0,0]=4 3688 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,1|2,0,0]=4 3689 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,1|2,0,0]=4 3690 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,1|2,0,0]=4 3691 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,1|2,0,0]=4 3692 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,1|2,0,0]=4 3693 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,1|2,0,0]=4 3694 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,1|2,0,0]=4 3695 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,1|2,0,0]=4 3696 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,1|2,0,0]=4 3697 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,1|2,0,0]=4 3698 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,1|2,0,0]=4 3699 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,1|2,0,0]=4 3700 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,1|2,0,0]=4 3701 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,1|2,0,0]=4 3702 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,1|2,0,0]=4 3703 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,1|2,0,0]=4 3704 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,1,0,0,0,1|2,0,0]=4 3705 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,1|2,0,0]=4 3706 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,1|2,0,0]=4 3707 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,1|2,0,0]=4 3708 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,1|2,0,0]=4 3709 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,1|2,0,0]=4 3710 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,1|2,0,0]=4 3711 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,1|2,0,0]=4 3712 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,1|2,0,0]=4 3713 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,1|2,0,0]=4 3714 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,1|2,0,0]=4 3715 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,1|2,0,0]=4 3716 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,1,0,0,0,1|2,0,0]=4 3717 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,1|2,0,0]=4 3718 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,1|2,0,0]=4 3719 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,1|2,0,0]=4 3720 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,1|2,0,0]=4 3721 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,0,0,1|1,0,0]=3 3722 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,0,0,0,1|1,0,0]=3 3723 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,0,0,1|1,0,0]=3 3724 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,1|1,0,0]=3 3725 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,0,0,0,1|1,0,0]=3 3726 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,1|1,0,0]=3 3727 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,1|1,0,0]=3 3728 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,1|1,0,0]=3 3729 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,1|1,0,0]=3 3730 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,1|1,0,0]=3 3731 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,1|1,0,0]=3 3732 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,0,0,1|1,0,0]=3 3733 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,1|1,0,0]=3 3734 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,0,0,1|1,0,0]=3 3735 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,0,0,1|1,0,0]=3 3736 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,0,0,1|1,0,0]=3 3737 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [0,1,0,0,0,1|2,0,0]=4 3738 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,1,0,0,0,1|1,0,0]=3 3739 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,1|1,0,0]=3 3740 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,1,0,0,0,1|1,0,0]=3 3741 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,1,0,0,0,1|1,0,0]=3 3742 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,1,0,0,0,1|1,0,0]=3 3743 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,0,0,1|1,0,0]=3 3744 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,0,0,0,1|1,0,0]=3 3745 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,0,0,0,1|1,0,0]=3 3746 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,0,0,0,1|1,0,0]=3 3747 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,0,0,0,1|1,0,0]=3 3748 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,0,0,0,1|1,0,0]=3 3749 B11R1.17 CCCCc1cncnc1Br 271570a_100020621405_200012461658 [0,1,0,0,0,1|2,0,0]=4 3750 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [0,1,0,0,0,1|2,0,0]=4 3751 B11R1.17 CCCCc1cncnc1Cl 271570a_100020621405_100000758962 [0,1,0,0,0,1|2,0,0]=4 3752 B11R1.17 CCCCc1cncnc1N 271570a_100020621405_100011996079 [0,1,0,0,0,1|2,0,0]=4 3753 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [0,1,0,0,0,1|2,0,0]=4 3754 B11R1.17 CCCCc1cnncc1N 271570a_100020621405_100009829405 [0,1,0,0,0,1|2,0,0]=4 3755 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,1,0,0,0,1|1,0,0]=3 3756 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,0,0,0,1|1,0,0]=3 3757 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,0,0,0,1|1,0,0]=3 3758 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,0,0,0,1|1,0,0]=3 3759 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,0,0,0,1|1,0,0]=3 3760 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,0,0,0,1|1,0,0]=3 3761 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,0,0,1|1,0,0]=3 3762 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,1,0,0,0,1|1,0,0]=3 3763 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [0,1,0,0,0,1|1,0,0]=3 3764 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [0,1,0,0,0,1|1,0,0]=3 3765 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,1,0,0,0,1|1,0,0]=3 3766 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [0,1,0,0,0,1|1,0,0]=3 3767 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [0,1,0,0,0,1|1,0,0]=3 3768 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,1,0,0,0,1|1,0,0]=3 3769 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [0,1,0,0,0,1|1,0,0]=3 3770 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,1|2,0,0]=4 3771 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,1|2,0,0]=4 3772 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,1|2,0,0]=4 3773 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,1|2,0,0]=4 3774 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,1|2,0,0]=4 3775 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,1|2,0,0]=4 3776 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,1,0,0,0,1|2,0,0]=4 3777 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,1|2,0,0]=4 3778 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,1|2,0,0]=4 3779 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,1|2,0,0]=4 3780 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,1|2,0,0]=4 3781 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,1|2,0,0]=4 3782 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,1|2,0,0]=4 3783 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,1|2,0,0]=4 3784 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,1|2,0,0]=4 3785 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,1|2,0,0]=4 3786 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,1|2,0,0]=4 3787 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,1|2,0,0]=4 3788 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,1|2,0,0]=4 3789 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,1|2,0,0]=4 3790 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,0,0,0,1|2,0,0]=4 3791 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,0,0,0,1|2,0,0]=4 3792 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,0,0,1|2,0,0]=4 3793 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,0,0,1|2,0,0]=4 3794 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,0,0,0,1|2,0,0]=4 3795 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,0,0,0,1|2,0,0]=4 3796 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,0,0,0,1|2,0,0]=4 3797 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,0,0,0,1|2,0,0]=4 3798 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,0,0,0,1|2,0,0]=4 3799 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,0,0,0,1|2,0,0]=4 3800 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,0,0,0,1|2,0,0]=4 3801 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,0,0,0,1|2,0,0]=4 3802 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,0,0,1|1,0,0]=3 3803 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,0,0,1|1,0,0]=3 3804 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [0,1,0,0,0,1|2,0,0]=4 3805 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,1,0,0,0,1|2,0,0]=4 3806 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [0,1,0,0,0,1|2,0,0]=4 3807 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [0,1,0,0,0,1|2,0,0]=4 3808 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,1,0,0,0,1|2,0,0]=4 3809 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,1,0,0,0,1|2,0,0]=4 3810 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,1,0,0,0,1|2,0,0]=4 3811 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,1,0,0,0,1|2,0,0]=4 3812 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,1,0,0,0,1|2,0,0]=4 3813 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,0,0,1|1,0,0]=3 3814 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,0,0,0,1|2,0,0]=4 3815 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,0,0,0,1|2,0,0]=4 3816 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,0,0,0,1|2,0,0]=4 3817 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,0,0,1|2,0,0]=4 3818 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [0,1,0,0,0,1|2,0,0]=4 3819 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [0,1,0,0,0,1|2,0,0]=4 3820 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [0,1,0,0,0,1|2,0,0]=4 3821 B11R1.17 CCCSc1c[nH]ccc1=S 62a_100000210303_200012280681 [0,1,0,0,0,1|2,0,0]=4 3822 B11R1.17 CCCSc1c[nH]ccc1=S 62a_200012280681_100000210303 [0,1,0,0,0,1|2,0,0]=4 3823 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [0,1,0,0,0,1|2,0,0]=4 3824 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [0,1,0,0,0,1|2,0,0]=4 3825 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,1|2,0,0]=4 3826 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,1|2,0,0]=4 3827 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,1|2,0,0]=4 3828 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,1|2,0,0]=4 3829 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,1|2,0,0]=4 3830 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,1|2,0,0]=4 3831 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,1|2,0,0]=4 3832 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,1|2,0,0]=4 3833 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,1|2,0,0]=4 3834 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,1|2,0,0]=4 3835 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,1|2,0,0]=4 3836 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,1|2,0,0]=4 3837 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [0,1,0,0,0,1|2,0,0]=4 3838 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [0,1,0,0,0,1|2,0,0]=4 3839 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,1,0,0,0,1|2,0,0]=4 3840 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,1,0,0,0,1|2,0,0]=4 3841 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [0,1,0,0,0,1|2,0,0]=4 3842 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [0,1,0,0,0,1|2,0,0]=4 3843 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [0,1,0,0,0,1|2,0,0]=4 3844 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [0,1,0,0,0,1|2,0,0]=4 3845 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [0,1,0,0,0,1|2,0,0]=4 3846 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [0,1,0,0,0,1|2,0,0]=4 3847 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [0,1,0,0,0,1|2,0,0]=4 3848 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [0,1,0,0,0,1|2,0,0]=4 3849 B11R1.17 CCCSc1ccncc1Br 62a_100000210303_100000726257 [0,1,0,0,0,1|2,0,0]=4 3850 B11R1.17 CCCSc1ccncc1Br 62a_100000726257_100000210303 [0,1,0,0,0,1|2,0,0]=4 3851 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [0,1,0,0,0,1|2,0,0]=4 3852 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [0,1,0,0,0,1|2,0,0]=4 3853 B11R1.17 CCCSc1ccncc1Cl 62a_100000210303_100000708259 [0,1,0,0,0,1|2,0,0]=4 3854 B11R1.17 CCCSc1ccncc1Cl 62a_100000708259_100000210303 [0,1,0,0,0,1|2,0,0]=4 3855 B11R1.17 CCCSc1ccncc1F 62a_100000047030_100000210303 [0,1,0,0,0,1|2,0,0]=4 3856 B11R1.17 CCCSc1ccncc1F 62a_100000210303_100000047030 [0,1,0,0,0,1|2,0,0]=4 3857 B11R1.17 CCCSc1ccncc1N 62a_100000210303_100000756074 [0,1,0,0,0,1|2,0,0]=4 3858 B11R1.17 CCCSc1ccncc1N 62a_100000756074_100000210303 [0,1,0,0,0,1|2,0,0]=4 3859 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [0,1,0,0,0,1|2,0,0]=4 3860 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [0,1,0,0,0,1|2,0,0]=4 3861 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [0,1,0,0,0,1|2,0,0]=4 3862 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [0,1,0,0,0,1|2,0,0]=4 3863 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [0,1,0,0,0,1|2,0,0]=4 3864 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [0,1,0,0,0,1|2,0,0]=4 3865 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [0,1,0,0,0,1|2,0,0]=4 3866 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [0,1,0,0,0,1|2,0,0]=4 3867 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [0,1,0,0,0,1|2,0,0]=4 3868 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [0,1,0,0,0,1|2,0,0]=4 3869 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [0,1,0,0,0,1|2,0,0]=4 3870 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [0,1,0,0,0,1|2,0,0]=4 3871 B11R1.17 CCCSc1ncc[nH]c1=O 62a_100000210303_100000763361 [0,1,0,0,0,1|2,0,0]=4 3872 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [0,1,0,0,0,1|2,0,0]=4 3873 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [0,1,0,0,0,1|2,0,0]=4 3874 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [0,1,0,0,0,1|2,0,0]=4 3875 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [0,1,0,0,0,1|2,0,0]=4 3876 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [0,1,0,0,0,1|2,0,0]=4 3877 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [0,1,0,0,0,1|2,0,0]=4 3878 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [0,1,0,0,0,1|2,0,0]=4 3879 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [0,1,0,0,0,1|2,0,0]=4 3880 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [0,1,0,0,0,1|2,0,0]=4 3881 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [0,1,0,0,0,1|2,0,0]=4 3882 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,1,0,0,0,1|2,0,0]=4 3883 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,1,0,0,0,1|2,0,0]=4 3884 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [0,1,0,0,0,1|2,0,0]=4 3885 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [0,1,0,0,0,1|2,0,0]=4 3886 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [0,1,0,0,0,1|2,0,0]=4 3887 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [0,1,0,0,0,1|2,0,0]=4 3888 B11R1.17 CCCSc1nccnc1F 62a_100000210303_200010125657 [0,1,0,0,0,1|2,0,0]=4 3889 B11R1.17 CCCSc1nccnc1F 62a_200010125657_100000210303 [0,1,0,0,0,1|2,0,0]=4 3890 B11R1.17 CCCSc1nccnc1N 62a_100000210303_100000747729 [0,1,0,0,0,1|2,0,0]=4 3891 B11R1.17 CCCSc1nccnc1N 62a_100000747729_100000210303 [0,1,0,0,0,1|2,0,0]=4 3892 B11R1.17 CCCSc1ncncc1C 62a_100000210303_100011998708 [0,1,0,0,0,1|2,0,0]=4 3893 B11R1.17 CCCSc1ncncc1C 62a_100011998708_100000210303 [0,1,0,0,0,1|2,0,0]=4 3894 B11R1.17 CCCSc1ncncc1F 62a_100000069762_100000210303 [0,1,0,0,0,1|2,0,0]=4 3895 B11R1.17 CCCSc1ncncc1F 62a_100000210303_100000069762 [0,1,0,0,0,1|2,0,0]=4 3896 B11R1.17 CCCSc1ncncc1N 62a_100000210303_100000709731 [0,1,0,0,0,1|2,0,0]=4 3897 B11R1.17 CCCSc1ncncc1N 62a_100000709731_100000210303 [0,1,0,0,0,1|2,0,0]=4 3898 B11R1.17 CCCSc1nnccc1C 62a_100000210303_100000089043 [0,1,0,0,0,1|2,0,0]=4 3899 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,1|2,0,0]=4 3900 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,1|2,0,0]=4 3901 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,1|2,0,0]=4 3902 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,1|2,0,0]=4 3903 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,1|2,0,0]=4 3904 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,1|2,0,0]=4 3905 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,1|2,0,0]=4 3906 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,1|2,0,0]=4 3907 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,1|2,0,0]=4 3908 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,1|2,0,0]=4 3909 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,1|2,0,0]=4 3910 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,1|2,0,0]=4 3911 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,1|2,0,0]=4 3912 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,1|2,0,0]=4 3913 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,1|2,0,0]=4 3914 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,1|2,0,0]=4 3915 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,1|2,0,0]=4 3916 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,1|2,0,0]=4 3917 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,1|2,0,0]=4 3918 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,1|2,0,0]=4 3919 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,1|2,0,0]=4 3920 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,1|2,0,0]=4 3921 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,1,0,0,0,1|2,0,0]=4 3922 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,1,0,0,0,1|2,0,0]=4 3923 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,1,0,0,0,1|2,0,0]=4 3924 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,0,0,0,1|2,0,0]=4 3925 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,0,0,0,1|2,0,0]=4 3926 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,0,0,0,1|2,0,0]=4 3927 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,1,0,0,0,1|2,0,0]=4 3928 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,1,0,0,0,1|2,0,0]=4 3929 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,1,0,0,0,1|2,0,0]=4 3930 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,1,0,0,0,1|2,0,0]=4 3931 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,1,0,0,0,1|2,0,0]=4 3932 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,1,0,0,0,1|2,0,0]=4 3933 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,1,0,0,0,1|2,0,0]=4 3934 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [0,1,0,0,0,1|2,0,0]=4 3935 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [0,1,0,0,0,1|2,0,0]=4 3936 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [0,1,0,0,0,1|2,0,0]=4 3937 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [0,1,0,0,0,1|2,0,0]=4 3938 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [0,1,0,0,0,1|2,0,0]=4 3939 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [0,1,0,0,0,1|2,0,0]=4 3940 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [0,1,0,0,0,1|2,0,0]=4 3941 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [0,1,0,0,0,1|2,0,0]=4 3942 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [0,1,0,0,0,1|2,0,0]=4 3943 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [0,1,0,0,0,1|2,0,0]=4 3944 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [0,1,0,0,0,1|2,0,0]=4 3945 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,1,0,0,0,1|2,0,0]=4 3946 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,1,0,0,0,1|2,0,0]=4 3947 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,1,0,0,0,1|2,0,0]=4 3948 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,1,0,0,0,1|2,0,0]=4 3949 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,1,0,0,0,1|2,0,0]=4 3950 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,1,0,0,0,1|2,0,0]=4 3951 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,1,0,0,0,1|2,0,0]=4 3952 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,1,0,0,0,1|2,0,0]=4 3953 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,1,0,0,0,1|2,0,0]=4 3954 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,1,0,0,0,1|2,0,0]=4 3955 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,1,0,0,0,1|2,0,0]=4 3956 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,1,0,0,0,1|2,0,0]=4 3957 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,1,0,0,0,1|2,0,0]=4 3958 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,1,0,0,0,1|2,0,0]=4 3959 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,1,0,0,0,1|2,0,0]=4 3960 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [0,1,0,0,0,1|2,0,0]=4 3961 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [0,1,0,0,0,1|2,0,0]=4 3962 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [0,1,0,0,0,1|2,0,0]=4 3963 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [0,1,0,0,0,1|2,0,0]=4 3964 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,1|2,0,0]=4 3965 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,1|2,0,0]=4 3966 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,1|2,0,0]=4 3967 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,1|2,0,0]=4 3968 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,1|2,0,0]=4 3969 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,1|2,0,0]=4 3970 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,1|2,0,0]=4 3971 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,1|2,0,0]=4 3972 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,1|2,0,0]=4 3973 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,1|2,0,0]=4 3974 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,1|2,0,0]=4 3975 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,1|2,0,0]=4 3976 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,1|2,0,0]=4 3977 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,1|2,0,0]=4 3978 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,1|2,0,0]=4 3979 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,1|2,0,0]=4 3980 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,1|2,0,0]=4 3981 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [0,1,0,0,0,1|2,0,0]=4 3982 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [0,1,0,0,0,1|2,0,0]=4 3983 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [0,1,0,0,0,1|2,0,0]=4 3984 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,1,0,0,0,1|2,0,0]=4 3985 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,1,0,0,0,1|2,0,0]=4 3986 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,1,0,0,0,1|2,0,0]=4 3987 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [0,1,0,0,0,1|2,0,0]=4 3988 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [0,1,0,0,0,1|2,0,0]=4 3989 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [0,1,0,0,0,1|2,0,0]=4 3990 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [0,1,0,0,0,1|2,0,0]=4 3991 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [0,1,0,0,0,1|2,0,0]=4 3992 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [0,1,0,0,0,1|2,0,0]=4 3993 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [0,1,0,0,0,1|2,0,0]=4 3994 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [0,1,0,0,0,1|2,0,0]=4 3995 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [0,1,0,0,0,1|2,0,0]=4 3996 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [0,1,0,0,0,1|2,0,0]=4 3997 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [0,1,0,0,0,1|2,0,0]=4 3998 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [0,1,0,0,0,1|2,0,0]=4 3999 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [0,1,0,0,0,1|2,0,0]=4 4000 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [0,1,0,0,0,1|2,0,0]=4 4001 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [0,1,0,0,0,1|2,0,0]=4 4002 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [0,1,0,0,0,1|2,0,0]=4 4003 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [0,1,0,0,0,1|2,0,0]=4 4004 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [0,1,0,0,0,1|2,0,0]=4 4005 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [0,1,0,0,0,1|2,0,0]=4 4006 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [0,1,0,0,0,1|2,0,0]=4 4007 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,1,0,0,0,1|2,0,0]=4 4008 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [0,1,0,0,0,1|2,0,0]=4 4009 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,1|2,0,0]=4 4010 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,1|2,0,0]=4 4011 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,1|2,0,0]=4 4012 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,1|2,0,0]=4 4013 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,1|2,0,0]=4 4014 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,1|2,0,0]=4 4015 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,1|2,0,0]=4 4016 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,1|2,0,0]=4 4017 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,1|2,0,0]=4 4018 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,1|2,0,0]=4 4019 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,1|2,0,0]=4 4020 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [0,1,0,0,0,1|2,0,0]=4 4021 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [0,1,0,0,0,1|2,0,0]=4 4022 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,1,0,0,0,1|2,0,0]=4 4023 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,1,0,0,0,1|2,0,0]=4 4024 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [0,1,0,0,0,1|2,0,0]=4 4025 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [0,1,0,0,0,1|2,0,0]=4 4026 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [0,1,0,0,0,1|2,0,0]=4 4027 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [0,1,0,0,0,1|2,0,0]=4 4028 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [0,1,0,0,0,1|2,0,0]=4 4029 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [0,1,0,0,0,1|2,0,0]=4 4030 B11R1.17 CCSCc1ccncc1Cl 62a_100000210202_100000763264 [0,1,0,0,0,1|2,0,0]=4 4031 B11R1.17 CCSCc1ccncc1Cl 62a_100000763264_100000210202 [0,1,0,0,0,1|2,0,0]=4 4032 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [0,1,0,0,0,1|2,0,0]=4 4033 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [0,1,0,0,0,1|2,0,0]=4 4034 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [0,1,0,0,0,1|2,0,0]=4 4035 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [0,1,0,0,0,1|2,0,0]=4 4036 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [0,1,0,0,0,1|2,0,0]=4 4037 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [0,1,0,0,0,1|2,0,0]=4 4038 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [0,1,0,0,0,1|2,0,0]=4 4039 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [0,1,0,0,0,1|2,0,0]=4 4040 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [0,1,0,0,0,1|2,0,0]=4 4041 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [0,1,0,0,0,1|2,0,0]=4 4042 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,1,0,0,0,1|2,0,0]=4 4043 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,1,0,0,0,1|2,0,0]=4 4044 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,1|2,0,0]=4 4045 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,1|2,0,0]=4 4046 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,1|2,0,0]=4 4047 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,1|2,0,0]=4 4048 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,1|2,0,0]=4 4049 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,1|2,0,0]=4 4050 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,1|2,0,0]=4 4051 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,1|2,0,0]=4 4052 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,1|2,0,0]=4 4053 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,1|2,0,0]=4 4054 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,1|2,0,0]=4 4055 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,1|2,0,0]=4 4056 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,1|2,0,0]=4 4057 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,1|2,0,0]=4 4058 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,1|2,0,0]=4 4059 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,1|2,0,0]=4 4060 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,1|2,0,0]=4 4061 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,1|2,0,0]=4 4062 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,1|2,0,0]=4 4063 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,1|2,0,0]=4 4064 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,1|2,0,0]=4 4065 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,1|2,0,0]=4 4066 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,1|2,0,0]=4 4067 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,1|2,0,0]=4 4068 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,1|2,0,0]=4 4069 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,1|2,0,0]=4 4070 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,1|2,0,0]=4 4071 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,1|2,0,0]=4 4072 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,1|2,0,0]=4 4073 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,1|2,0,0]=4 4074 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,1|2,0,0]=4 4075 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,1|2,0,0]=4 4076 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,1|2,0,0]=4 4077 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,1|2,0,0]=4 4078 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,1|2,0,0]=4 4079 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,1|2,0,0]=4 4080 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,1|2,0,0]=4 4081 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,1|2,0,0]=4 4082 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,1|2,0,0]=4 4083 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,1|2,0,0]=4 4084 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,1,0,0,0,1|2,0,0]=4 4085 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,1,0,0,0,1|2,0,0]=4 4086 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,1|2,0,0]=4 4087 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,1|2,0,0]=4 4088 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,1|2,0,0]=4 4089 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,1|2,0,0]=4 4090 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,1|2,0,0]=4 4091 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,1|2,0,0]=4 4092 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,1|2,0,0]=4 4093 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,1|2,0,0]=4 4094 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,1|2,0,0]=4 4095 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,1|2,0,0]=4 4096 B11R1.17 CSCOc1cccoc1=O 34a_100000077404_100011218213 [0,1,0,0,0,1|2,0,0]=4 4097 B11R1.17 CSCOc1coccc1=O 34a_100000060831_100011218213 [0,1,0,0,0,1|2,0,0]=4 4098 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,1|2,0,0]=4 4099 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,1|2,0,0]=4 4100 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,1|2,0,0]=4 4101 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,1|2,0,0]=4 4102 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,1|2,0,0]=4 4103 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,1|2,0,0]=4 4104 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,1,0,0,0,1|2,0,0]=4 4105 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,1,0,0,0,1|2,0,0]=4 4106 B11R1.17 O=c1ccocc1OCCF 34a_100000060831_100011217306 [0,1,0,0,0,1|2,0,0]=4 4107 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [0,1,0,0,0,1|2,0,0]=4 4108 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [0,1,0,0,0,1|2,0,0]=4 4109 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [0,1,0,0,0,1|2,0,0]=4 4110 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [0,1,0,0,0,1|2,0,0]=4 4111 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [0,1,0,0,0,1|2,0,0]=4 4112 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,1|2,0,0]=4 4113 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,1|2,0,0]=4 4114 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,1|2,0,0]=4 4115 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,1|2,0,0]=4 4116 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,1|2,0,0]=4 4117 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,1|2,0,0]=4 4118 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,1|2,0,0]=4 4119 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,1|2,0,0]=4 4120 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,1|2,0,0]=4 4121 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,1|2,0,0]=4 4122 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,1|2,0,0]=4 4123 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,1|2,0,0]=4 4124 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,1|2,0,0]=4 4125 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,1|2,0,0]=4 4126 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,1|2,0,0]=4 4127 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,1|2,0,0]=4 4128 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,1|2,0,0]=4 4129 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,1|2,0,0]=4 4130 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,1|2,0,0]=4 4131 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,1|2,0,0]=4 4132 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,1|2,0,0]=4 4133 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,1|2,0,0]=4 4134 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,1|2,0,0]=4 4135 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,1|2,0,0]=4 4136 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,1|2,0,0]=4 4137 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [0,1,0,0,0,1|1,0,0]=3 4138 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,0,0,0,1|1,0,0]=3 4139 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,0,0,0,1|1,0,0]=3 4140 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,0,0,0,1|1,0,0]=3 4141 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,0,0,0,1|1,0,0]=3 4142 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,0,0,1|1,0,0]=3 4143 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [0,1,0,0,0,1|1,0,0]=3 4144 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [0,1,0,0,0,1|1,0,0]=3 4145 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [0,1,0,0,0,1|1,0,0]=3 4146 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [0,1,0,0,0,1|1,0,0]=3 4147 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [0,1,0,0,0,1|1,0,0]=3 4148 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [0,1,0,0,0,1|1,0,0]=3 4149 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,0,0,1|1,0,0]=3 4150 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [0,1,0,0,0,1|1,0,0]=3 4151 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,0,0,0,1|1,0,0]=3 4152 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,0,0,0,1|1,0,0]=3 4153 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,0,0,1|1,0,0]=3 4154 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,1|1,0,0]=3 4155 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,1|1,0,0]=3 4156 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,1|1,0,0]=3 4157 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,1|1,0,0]=3 4158 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,1|1,0,0]=3 4159 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,1|1,0,0]=3 4160 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,1|1,0,0]=3 4161 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,1|1,0,0]=3 4162 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,0,0,0,1|1,0,0]=3 4163 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,0,0,0,1|1,0,0]=3 4164 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,0,0,0,1|1,0,0]=3 4165 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,0,0,0,1|1,0,0]=3 4166 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [0,1,0,0,0,1|1,0,0]=3 4167 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,1|1,0,0]=3 4168 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [0,1,0,0,0,1|1,0,0]=3 4169 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [0,1,0,0,0,1|1,0,0]=3 4170 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [0,1,0,0,0,1|1,0,0]=3 4171 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [0,1,0,0,0,1|1,0,0]=3 4172 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [0,1,0,0,0,1|1,0,0]=3 4173 B11R1.24 CCCCc1cn[nH]c(=O)c1 271570a_100020621405_100010197405 [0,1,0,0,0,1|2,0,0]=4 4174 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,0,0,0,1|1,0,0]=3 4175 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,0,0,0,1|1,0,0]=3 4176 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,0,0,0,1|1,0,0]=3 4177 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,0,0,0,1|1,0,0]=3 4178 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,0,0,0,1|1,0,0]=3 4179 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,0,0,1|1,0,0]=3 4180 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [0,1,0,0,0,1|1,0,0]=3 4181 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [0,1,0,0,0,1|1,0,0]=3 4182 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [0,1,0,0,0,1|1,0,0]=3 4183 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,1,0,0,0,1|1,0,0]=3 4184 B11R1.24 CCCCc1cnnc(c1)N 271570a_100020621405_100000130277 [0,1,0,0,0,1|2,0,0]=4 4185 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [0,1,0,0,0,1|1,0,0]=3 4186 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [0,1,0,0,0,1|1,0,0]=3 4187 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,1,0,0,0,1|1,0,0]=3 4188 B11R1.24 CCCCc1ncnc(n1)N 271570a_100020621405_100000123831 [0,1,0,0,0,1|2,0,0]=4 4189 B11R1.24 CCCNc1cc(ncn1)O 271570a_203496583355_100011443280 [0,1,0,0,0,1|2,0,0]=4 4190 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,1|2,0,0]=4 4191 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,1|2,0,0]=4 4192 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,1|2,0,0]=4 4193 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,1|2,0,0]=4 4194 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,1|2,0,0]=4 4195 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,1|2,0,0]=4 4196 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,1|2,0,0]=4 4197 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [0,1,0,0,0,1|2,0,0]=4 4198 B11R1.24 CCCNc1cncc(n1)O 271570a_203496583355_200011529425 [0,1,0,0,0,1|2,0,0]=4 4199 B11R1.24 CCCOc1cc(cnn1)C 34a_100000766097_100000210303 [0,1,0,0,0,1|2,0,0]=4 4200 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [0,1,0,0,0,1|2,0,0]=4 4201 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [0,1,0,0,0,1|2,0,0]=4 4202 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [0,1,0,0,0,1|2,0,0]=4 4203 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [0,1,0,0,0,1|2,0,0]=4 4204 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,1|2,0,0]=4 4205 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,1|2,0,0]=4 4206 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,1|2,0,0]=4 4207 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,1|2,0,0]=4 4208 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,1|2,0,0]=4 4209 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,1|2,0,0]=4 4210 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,1|2,0,0]=4 4211 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,1|2,0,0]=4 4212 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,1|2,0,0]=4 4213 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,1|2,0,0]=4 4214 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,1|2,0,0]=4 4215 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,1|2,0,0]=4 4216 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,0,0,0,1|2,0,0]=4 4217 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,0,0,0,1|2,0,0]=4 4218 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [0,1,0,0,0,1|2,0,0]=4 4219 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [0,1,0,0,0,1|2,0,0]=4 4220 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [0,1,0,0,0,1|2,0,0]=4 4221 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [0,1,0,0,0,1|2,0,0]=4 4222 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [0,1,0,0,0,1|2,0,0]=4 4223 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [0,1,0,0,0,1|2,0,0]=4 4224 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [0,1,0,0,0,1|2,0,0]=4 4225 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [0,1,0,0,0,1|2,0,0]=4 4226 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [0,1,0,0,0,1|2,0,0]=4 4227 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [0,1,0,0,0,1|2,0,0]=4 4228 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [0,1,0,0,0,1|2,0,0]=4 4229 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [0,1,0,0,0,1|2,0,0]=4 4230 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [0,1,0,0,0,1|2,0,0]=4 4231 B11R1.24 CCCSc1c[n+](ccn1)[O-] 62a_100000210303_100009880115 [0,1,0,0,0,1|2,0,0]=4 4232 B11R1.24 CCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210303 [0,1,0,0,0,1|2,0,0]=4 4233 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [0,1,0,0,0,1|2,0,0]=4 4234 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [0,1,0,0,0,1|2,0,0]=4 4235 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [0,1,0,0,0,1|2,0,0]=4 4236 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [0,1,0,0,0,1|2,0,0]=4 4237 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [0,1,0,0,0,1|2,0,0]=4 4238 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [0,1,0,0,0,1|2,0,0]=4 4239 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [0,1,0,0,0,1|2,0,0]=4 4240 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [0,1,0,0,0,1|2,0,0]=4 4241 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [0,1,0,0,0,1|2,0,0]=4 4242 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [0,1,0,0,0,1|2,0,0]=4 4243 B11R1.24 CCCSc1cc(cnn1)C 62a_100000070100_100000210303 [0,1,0,0,0,1|2,0,0]=4 4244 B11R1.24 CCCSc1cc(cnn1)C 62a_100000210303_100000070100 [0,1,0,0,0,1|2,0,0]=4 4245 B11R1.24 CCCSc1cc(cnn1)N 62a_100000210303_100011996757 [0,1,0,0,0,1|2,0,0]=4 4246 B11R1.24 CCCSc1cc(cnn1)N 62a_100011996757_100000210303 [0,1,0,0,0,1|2,0,0]=4 4247 B11R1.24 CCCSc1cc(cnn1)O 62a_100000210303_200010734679 [0,1,0,0,0,1|2,0,0]=4 4248 B11R1.24 CCCSc1cc(ncn1)C 62a_100000210303_100000744208 [0,1,0,0,0,1|2,0,0]=4 4249 B11R1.24 CCCSc1cc(ncn1)C 62a_100000744208_100000210303 [0,1,0,0,0,1|2,0,0]=4 4250 B11R1.24 CCCSc1cc(ncn1)Cl 62a_100000210303_100010161198 [0,1,0,0,0,1|2,0,0]=4 4251 B11R1.24 CCCSc1cc(ncn1)Cl 62a_100010161198_100000210303 [0,1,0,0,0,1|2,0,0]=4 4252 B11R1.24 CCCSc1cc(ncn1)F 62a_100000210303_200009880791 [0,1,0,0,0,1|2,0,0]=4 4253 B11R1.24 CCCSc1cc(ncn1)F 62a_200009880791_100000210303 [0,1,0,0,0,1|2,0,0]=4 4254 B11R1.24 CCCSc1cc(ncn1)N 62a_100000210303_100000701291 [0,1,0,0,0,1|2,0,0]=4 4255 B11R1.24 CCCSc1cc(ncn1)N 62a_100000701291_100000210303 [0,1,0,0,0,1|2,0,0]=4 4256 B11R1.24 CCCSc1cc(ncn1)O 62a_100000210303_100000765262 [0,1,0,0,0,1|2,0,0]=4 4257 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100000210303_100009816521 [0,1,0,0,0,1|2,0,0]=4 4258 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210303 [0,1,0,0,0,1|2,0,0]=4 4259 B11R1.24 CCCSc1cc[nH]c(=O)n1 62a_100000210303_200000134032 [0,1,0,0,0,1|2,0,0]=4 4260 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100000210303_100009996589 [0,1,0,0,0,1|2,0,0]=4 4261 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100009996589_100000210303 [0,1,0,0,0,1|2,0,0]=4 4262 B11R1.24 CCCSc1ccc[n+](c1)[O-] 62a_100000210303_100009815978 [0,1,0,0,0,1|2,0,0]=4 4263 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [0,1,0,0,0,1|2,0,0]=4 4264 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,1|2,0,0]=4 4265 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,1|2,0,0]=4 4266 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,1|2,0,0]=4 4267 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,1|2,0,0]=4 4268 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,1|2,0,0]=4 4269 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,1|2,0,0]=4 4270 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,1|2,0,0]=4 4271 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,1|2,0,0]=4 4272 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,1|2,0,0]=4 4273 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,1|2,0,0]=4 4274 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,1|2,0,0]=4 4275 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,1|2,0,0]=4 4276 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,1|2,0,0]=4 4277 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,1|2,0,0]=4 4278 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [0,1,0,0,0,1|2,0,0]=4 4279 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [0,1,0,0,0,1|2,0,0]=4 4280 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [0,1,0,0,0,1|2,0,0]=4 4281 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [0,1,0,0,0,1|2,0,0]=4 4282 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [0,1,0,0,0,1|2,0,0]=4 4283 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [0,1,0,0,0,1|2,0,0]=4 4284 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [0,1,0,0,0,1|2,0,0]=4 4285 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [0,1,0,0,0,1|2,0,0]=4 4286 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [0,1,0,0,0,1|2,0,0]=4 4287 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [0,1,0,0,0,1|2,0,0]=4 4288 B11R1.24 CCCSc1ccnc(c1)Br 62a_100000210303_100009814637 [0,1,0,0,0,1|2,0,0]=4 4289 B11R1.24 CCCSc1ccnc(c1)Br 62a_100009814637_100000210303 [0,1,0,0,0,1|2,0,0]=4 4290 B11R1.24 CCCSc1ccnc(c1)C 62a_100000210303_100000758586 [0,1,0,0,0,1|2,0,0]=4 4291 B11R1.24 CCCSc1ccnc(c1)C 62a_100000758586_100000210303 [0,1,0,0,0,1|2,0,0]=4 4292 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000035001_100000210303 [0,1,0,0,0,1|2,0,0]=4 4293 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000210303_100000035001 [0,1,0,0,0,1|2,0,0]=4 4294 B11R1.24 CCCSc1ccnc(c1)F 62a_100000210303_100009816116 [0,1,0,0,0,1|2,0,0]=4 4295 B11R1.24 CCCSc1ccnc(c1)F 62a_100009816116_100000210303 [0,1,0,0,0,1|2,0,0]=4 4296 B11R1.24 CCCSc1ccnc(c1)N 62a_100000049665_100000210303 [0,1,0,0,0,1|2,0,0]=4 4297 B11R1.24 CCCSc1ccnc(c1)N 62a_100000210303_100000049665 [0,1,0,0,0,1|2,0,0]=4 4298 B11R1.24 CCCSc1ccnc(n1)C 62a_100000210303_100000749937 [0,1,0,0,0,1|2,0,0]=4 4299 B11R1.24 CCCSc1ccnc(n1)C 62a_100000749937_100000210303 [0,1,0,0,0,1|2,0,0]=4 4300 B11R1.24 CCCSc1ccnc(n1)Cl 62a_100000210303_100010154678 [0,1,0,0,0,1|2,0,0]=4 4301 B11R1.24 CCCSc1ccnc(n1)Cl 62a_100010154678_100000210303 [0,1,0,0,0,1|2,0,0]=4 4302 B11R1.24 CCCSc1ccnc(n1)N 62a_100000055538_100000210303 [0,1,0,0,0,1|2,0,0]=4 4303 B11R1.24 CCCSc1ccnc(n1)N 62a_100000210303_100000055538 [0,1,0,0,0,1|2,0,0]=4 4304 B11R1.24 CCCSc1cncc(c1)Br 62a_100000210303_100000728054 [0,1,0,0,0,1|2,0,0]=4 4305 B11R1.24 CCCSc1cncc(c1)Br 62a_100000728054_100000210303 [0,1,0,0,0,1|2,0,0]=4 4306 B11R1.24 CCCSc1cncc(c1)C 62a_100000210303_100000760492 [0,1,0,0,0,1|2,0,0]=4 4307 B11R1.24 CCCSc1cncc(c1)C 62a_100000760492_100000210303 [0,1,0,0,0,1|2,0,0]=4 4308 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000049639_100000210303 [0,1,0,0,0,1|2,0,0]=4 4309 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000210303_100000049639 [0,1,0,0,0,1|2,0,0]=4 4310 B11R1.24 CCCSc1cncc(c1)F 62a_100000210303_100000744099 [0,1,0,0,0,1|2,0,0]=4 4311 B11R1.24 CCCSc1cncc(c1)F 62a_100000744099_100000210303 [0,1,0,0,0,1|2,0,0]=4 4312 B11R1.24 CCCSc1cncc(c1)N 62a_100000210303_100000687067 [0,1,0,0,0,1|2,0,0]=4 4313 B11R1.24 CCCSc1cncc(c1)N 62a_100000687067_100000210303 [0,1,0,0,0,1|2,0,0]=4 4314 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [0,1,0,0,0,1|2,0,0]=4 4315 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [0,1,0,0,0,1|2,0,0]=4 4316 B11R1.24 CCCSc1cncc(n1)C 62a_100000210303_100000754123 [0,1,0,0,0,1|2,0,0]=4 4317 B11R1.24 CCCSc1cncc(n1)C 62a_100000754123_100000210303 [0,1,0,0,0,1|2,0,0]=4 4318 B11R1.24 CCCSc1cncc(n1)Cl 62a_100000210303_100010892449 [0,1,0,0,0,1|2,0,0]=4 4319 B11R1.24 CCCSc1cncc(n1)Cl 62a_100010892449_100000210303 [0,1,0,0,0,1|2,0,0]=4 4320 B11R1.24 CCCSc1cncc(n1)F 62a_100000210303_200009863489 [0,1,0,0,0,1|2,0,0]=4 4321 B11R1.24 CCCSc1cncc(n1)F 62a_200009863489_100000210303 [0,1,0,0,0,1|2,0,0]=4 4322 B11R1.24 CCCSc1cncc(n1)N 62a_100000210303_100000747728 [0,1,0,0,0,1|2,0,0]=4 4323 B11R1.24 CCCSc1cncc(n1)N 62a_100000747728_100000210303 [0,1,0,0,0,1|2,0,0]=4 4324 B11R1.24 CCCSc1cncc(n1)O 62a_100000210303_100011269956 [0,1,0,0,0,1|2,0,0]=4 4325 B11R1.24 CCCSc1nccc(n1)C 62a_100000210303_100011243806 [0,1,0,0,0,1|2,0,0]=4 4326 B11R1.24 CCCSc1nccc(n1)C 62a_100011243806_100000210303 [0,1,0,0,0,1|2,0,0]=4 4327 B11R1.24 CCCSc1nccc(n1)N 62a_100000210303_100000757536 [0,1,0,0,0,1|2,0,0]=4 4328 B11R1.24 CCCSc1nccc(n1)N 62a_100000757536_100000210303 [0,1,0,0,0,1|2,0,0]=4 4329 B11R1.24 CCCSc1nccc(n1)O 62a_100000210303_100011649813 [0,1,0,0,0,1|2,0,0]=4 4330 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [0,1,0,0,0,1|2,0,0]=4 4331 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [0,1,0,0,0,1|2,0,0]=4 4332 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [0,1,0,0,0,1|2,0,0]=4 4333 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [0,1,0,0,0,1|2,0,0]=4 4334 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [0,1,0,0,0,1|2,0,0]=4 4335 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [0,1,0,0,0,1|2,0,0]=4 4336 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [0,1,0,0,0,1|2,0,0]=4 4337 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [0,1,0,0,0,1|2,0,0]=4 4338 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [0,1,0,0,0,1|2,0,0]=4 4339 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,1|2,0,0]=4 4340 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,1|2,0,0]=4 4341 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,1|2,0,0]=4 4342 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,1|2,0,0]=4 4343 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,1|2,0,0]=4 4344 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,1|2,0,0]=4 4345 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,1|2,0,0]=4 4346 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,1|2,0,0]=4 4347 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,1|2,0,0]=4 4348 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,1|2,0,0]=4 4349 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,1|2,0,0]=4 4350 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,1|2,0,0]=4 4351 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,1|2,0,0]=4 4352 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,1|2,0,0]=4 4353 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,1|2,0,0]=4 4354 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,1|2,0,0]=4 4355 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,1|2,0,0]=4 4356 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,1|2,0,0]=4 4357 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,1|2,0,0]=4 4358 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,1|2,0,0]=4 4359 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,1|2,0,0]=4 4360 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,1|2,0,0]=4 4361 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,1|2,0,0]=4 4362 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,1|2,0,0]=4 4363 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,1|2,0,0]=4 4364 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,1|2,0,0]=4 4365 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,1|2,0,0]=4 4366 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,1|2,0,0]=4 4367 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,1|2,0,0]=4 4368 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,1|2,0,0]=4 4369 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,1|2,0,0]=4 4370 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [0,1,0,0,0,1|2,0,0]=4 4371 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [0,1,0,0,0,1|2,0,0]=4 4372 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [0,1,0,0,0,1|2,0,0]=4 4373 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [0,1,0,0,0,1|2,0,0]=4 4374 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [0,1,0,0,0,1|2,0,0]=4 4375 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [0,1,0,0,0,1|2,0,0]=4 4376 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [0,1,0,0,0,1|2,0,0]=4 4377 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [0,1,0,0,0,1|2,0,0]=4 4378 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [0,1,0,0,0,1|2,0,0]=4 4379 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [0,1,0,0,0,1|2,0,0]=4 4380 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [0,1,0,0,0,1|2,0,0]=4 4381 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [0,1,0,0,0,1|2,0,0]=4 4382 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [0,1,0,0,0,1|2,0,0]=4 4383 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [0,1,0,0,0,1|2,0,0]=4 4384 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100015525214_100010243470 [0,1,0,0,0,1|2,0,0]=4 4385 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100025757509_100000210202 [0,1,0,0,0,1|2,0,0]=4 4386 B11R1.24 CCNCc1ccnc(c1)Br 270004a_100015525214_100009814634 [0,1,0,0,0,1|2,0,0]=4 4387 B11R1.24 CCNCc1ccnc(c1)Br 34a_100025757509_100000210202 [0,1,0,0,0,1|2,0,0]=4 4388 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [0,1,0,0,0,1|2,0,0]=4 4389 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [0,1,0,0,0,1|2,0,0]=4 4390 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [0,1,0,0,0,1|2,0,0]=4 4391 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [0,1,0,0,0,1|2,0,0]=4 4392 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210202 [0,1,0,0,0,1|2,0,0]=4 4393 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015525214_100000764220 [0,1,0,0,0,1|2,0,0]=4 4394 B11R1.24 CCNCc1ccnc(c1)Cl 270004a_100015525214_100011290808 [0,1,0,0,0,1|2,0,0]=4 4395 B11R1.24 CCNCc1ccnc(c1)Cl 34a_100015205668_100000210202 [0,1,0,0,0,1|2,0,0]=4 4396 B11R1.24 CCNCc1ccnc(c1)F 2230a_100015188774_100000210202 [0,1,0,0,0,1|2,0,0]=4 4397 B11R1.24 CCNCc1ccnc(c1)F 270004a_100015525214_100000068331 [0,1,0,0,0,1|2,0,0]=4 4398 B11R1.24 CCNCc1ccnc(c1)F 34a_100015188774_100000210202 [0,1,0,0,0,1|2,0,0]=4 4399 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [0,1,0,0,0,1|2,0,0]=4 4400 B11R1.24 CCNCc1ccnc(n1)C 270004a_100015525214_100011361539 [0,1,0,0,0,1|2,0,0]=4 4401 B11R1.24 CCNCc1ccnc(n1)Cl 2230a_100015525214_100000099655 [0,1,0,0,0,1|2,0,0]=4 4402 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [0,1,0,0,0,1|2,0,0]=4 4403 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [0,1,0,0,0,1|2,0,0]=4 4404 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [0,1,0,0,0,1|2,0,0]=4 4405 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [0,1,0,0,0,1|2,0,0]=4 4406 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [0,1,0,0,0,1|2,0,0]=4 4407 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [0,1,0,0,0,1|2,0,0]=4 4408 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [0,1,0,0,0,1|2,0,0]=4 4409 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [0,1,0,0,0,1|2,0,0]=4 4410 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [0,1,0,0,0,1|2,0,0]=4 4411 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [0,1,0,0,0,1|2,0,0]=4 4412 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [0,1,0,0,0,1|2,0,0]=4 4413 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [0,1,0,0,0,1|2,0,0]=4 4414 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [0,1,0,0,0,1|2,0,0]=4 4415 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [0,1,0,0,0,1|2,0,0]=4 4416 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [0,1,0,0,0,1|2,0,0]=4 4417 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [0,1,0,0,0,1|2,0,0]=4 4418 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [0,1,0,0,0,1|2,0,0]=4 4419 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [0,1,0,0,0,1|2,0,0]=4 4420 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [0,1,0,0,0,1|2,0,0]=4 4421 B11R1.24 CCNCc1cncc(n1)C 207a_100015525214_100000100294 [0,1,0,0,0,1|2,0,0]=4 4422 B11R1.24 CCNCc1cncc(n1)C 270004a_100015525214_100000100294 [0,1,0,0,0,1|2,0,0]=4 4423 B11R1.24 CCNCc1nccc(n1)C 2230a_100015186494_100000210202 [0,1,0,0,0,1|2,0,0]=4 4424 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [0,1,0,0,0,1|2,0,0]=4 4425 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [0,1,0,0,0,1|2,0,0]=4 4426 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [0,1,0,0,0,1|2,0,0]=4 4427 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [0,1,0,0,0,1|2,0,0]=4 4428 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [0,1,0,0,0,1|2,0,0]=4 4429 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [0,1,0,0,0,1|2,0,0]=4 4430 B11R1.24 CCOCc1cc(cnn1)C 34a_100016212594_100000210202 [0,1,0,0,0,1|2,0,0]=4 4431 B11R1.24 CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210202 [0,1,0,0,0,1|2,0,0]=4 4432 B11R1.24 CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210202 [0,1,0,0,0,1|2,0,0]=4 4433 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,1|2,0,0]=4 4434 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,1|2,0,0]=4 4435 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,1|2,0,0]=4 4436 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,1|2,0,0]=4 4437 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,1|2,0,0]=4 4438 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,1|2,0,0]=4 4439 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,1|2,0,0]=4 4440 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,1|2,0,0]=4 4441 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,1|2,0,0]=4 4442 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,1|2,0,0]=4 4443 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,1|2,0,0]=4 4444 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,1|2,0,0]=4 4445 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,1|2,0,0]=4 4446 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,1|2,0,0]=4 4447 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,1|2,0,0]=4 4448 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,1|2,0,0]=4 4449 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,1|2,0,0]=4 4450 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,1|2,0,0]=4 4451 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [0,1,0,0,0,1|2,0,0]=4 4452 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [0,1,0,0,0,1|2,0,0]=4 4453 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [0,1,0,0,0,1|2,0,0]=4 4454 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [0,1,0,0,0,1|2,0,0]=4 4455 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [0,1,0,0,0,1|2,0,0]=4 4456 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [0,1,0,0,0,1|2,0,0]=4 4457 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [0,1,0,0,0,1|2,0,0]=4 4458 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [0,1,0,0,0,1|2,0,0]=4 4459 B11R1.24 CCOCc1ccnc(c1)Br 34a_100009814636_100000210202 [0,1,0,0,0,1|2,0,0]=4 4460 B11R1.24 CCOCc1ccnc(c1)Br 34a_100121572206_100010243470 [0,1,0,0,0,1|2,0,0]=4 4461 B11R1.24 CCOCc1ccnc(c1)Br 7a_100009814636_100000210202 [0,1,0,0,0,1|2,0,0]=4 4462 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [0,1,0,0,0,1|2,0,0]=4 4463 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [0,1,0,0,0,1|2,0,0]=4 4464 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100000748751_100000210202 [0,1,0,0,0,1|2,0,0]=4 4465 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100121572206_100000764220 [0,1,0,0,0,1|2,0,0]=4 4466 B11R1.24 CCOCc1ccnc(c1)F 34a_100000082451_100000210202 [0,1,0,0,0,1|2,0,0]=4 4467 B11R1.24 CCOCc1ccnc(n1)Cl 34a_100121572206_100000099655 [0,1,0,0,0,1|2,0,0]=4 4468 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [0,1,0,0,0,1|2,0,0]=4 4469 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [0,1,0,0,0,1|2,0,0]=4 4470 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [0,1,0,0,0,1|2,0,0]=4 4471 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [0,1,0,0,0,1|2,0,0]=4 4472 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [0,1,0,0,0,1|2,0,0]=4 4473 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [0,1,0,0,0,1|2,0,0]=4 4474 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [0,1,0,0,0,1|2,0,0]=4 4475 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [0,1,0,0,0,1|2,0,0]=4 4476 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [0,1,0,0,0,1|2,0,0]=4 4477 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [0,1,0,0,0,1|2,0,0]=4 4478 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [0,1,0,0,0,1|2,0,0]=4 4479 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [0,1,0,0,0,1|2,0,0]=4 4480 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [0,1,0,0,0,1|2,0,0]=4 4481 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [0,1,0,0,0,1|2,0,0]=4 4482 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [0,1,0,0,0,1|2,0,0]=4 4483 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [0,1,0,0,0,1|2,0,0]=4 4484 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [0,1,0,0,0,1|2,0,0]=4 4485 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [0,1,0,0,0,1|2,0,0]=4 4486 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [0,1,0,0,0,1|2,0,0]=4 4487 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,1|2,0,0]=4 4488 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,1|2,0,0]=4 4489 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,1|2,0,0]=4 4490 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,1|2,0,0]=4 4491 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,1|2,0,0]=4 4492 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,1|2,0,0]=4 4493 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,1|2,0,0]=4 4494 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,1|2,0,0]=4 4495 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,1|2,0,0]=4 4496 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,1|2,0,0]=4 4497 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,1|2,0,0]=4 4498 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,1|2,0,0]=4 4499 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [0,1,0,0,0,1|2,0,0]=4 4500 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [0,1,0,0,0,1|2,0,0]=4 4501 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [0,1,0,0,0,1|2,0,0]=4 4502 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [0,1,0,0,0,1|2,0,0]=4 4503 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [0,1,0,0,0,1|2,0,0]=4 4504 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [0,1,0,0,0,1|2,0,0]=4 4505 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [0,1,0,0,0,1|2,0,0]=4 4506 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [0,1,0,0,0,1|2,0,0]=4 4507 B11R1.24 CCSCc1ccnc(c1)Br 62a_100000210202_100010243470 [0,1,0,0,0,1|2,0,0]=4 4508 B11R1.24 CCSCc1ccnc(c1)Br 62a_100010254460_100000210202 [0,1,0,0,0,1|2,0,0]=4 4509 B11R1.24 CCSCc1ccnc(c1)C 62a_100000210202_200020672517 [0,1,0,0,0,1|2,0,0]=4 4510 B11R1.24 CCSCc1ccnc(c1)C 62a_200020672517_100000210202 [0,1,0,0,0,1|2,0,0]=4 4511 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000210202_100000764220 [0,1,0,0,0,1|2,0,0]=4 4512 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000764220_100000210202 [0,1,0,0,0,1|2,0,0]=4 4513 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000099655_100000210202 [0,1,0,0,0,1|2,0,0]=4 4514 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000210202_100000099655 [0,1,0,0,0,1|2,0,0]=4 4515 B11R1.24 CCSCc1cncc(c1)Br 62a_100000210202_100000738771 [0,1,0,0,0,1|2,0,0]=4 4516 B11R1.24 CCSCc1cncc(c1)Br 62a_100000738771_100000210202 [0,1,0,0,0,1|2,0,0]=4 4517 B11R1.24 CCSCc1cncc(c1)C 62a_100000210202_100000716715 [0,1,0,0,0,1|2,0,0]=4 4518 B11R1.24 CCSCc1cncc(c1)C 62a_100000716715_100000210202 [0,1,0,0,0,1|2,0,0]=4 4519 B11R1.24 CCSCc1cncc(c1)Cl 62a_100000210202_100016992070 [0,1,0,0,0,1|2,0,0]=4 4520 B11R1.24 CCSCc1cncc(c1)Cl 62a_100016992070_100000210202 [0,1,0,0,0,1|2,0,0]=4 4521 B11R1.24 CCSCc1cncc(c1)F 62a_100000210202_100000725299 [0,1,0,0,0,1|2,0,0]=4 4522 B11R1.24 CCSCc1cncc(c1)F 62a_100000725299_100000210202 [0,1,0,0,0,1|2,0,0]=4 4523 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,1|2,0,0]=4 4524 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,1|2,0,0]=4 4525 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,1|2,0,0]=4 4526 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,1|2,0,0]=4 4527 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,1|2,0,0]=4 4528 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,1|2,0,0]=4 4529 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,1|2,0,0]=4 4530 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,1|2,0,0]=4 4531 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,1|2,0,0]=4 4532 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,1|2,0,0]=4 4533 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,1|2,0,0]=4 4534 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,1|2,0,0]=4 4535 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,1|2,0,0]=4 4536 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,1|2,0,0]=4 4537 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,1|2,0,0]=4 4538 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,1|2,0,0]=4 4539 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,1|2,0,0]=4 4540 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,1|2,0,0]=4 4541 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,1|2,0,0]=4 4542 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,1|2,0,0]=4 4543 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,1|2,0,0]=4 4544 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,1|2,0,0]=4 4545 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [0,1,0,0,0,1|2,0,0]=4 4546 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [0,1,0,0,0,1|2,0,0]=4 4547 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,1|2,0,0]=4 4548 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,1|2,0,0]=4 4549 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,1|2,0,0]=4 4550 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,1|2,0,0]=4 4551 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,1|2,0,0]=4 4552 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,1|2,0,0]=4 4553 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,1|2,0,0]=4 4554 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,1|2,0,0]=4 4555 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,1|2,0,0]=4 4556 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,1|2,0,0]=4 4557 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,1|2,0,0]=4 4558 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,1|2,0,0]=4 4559 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,1|2,0,0]=4 4560 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [0,1,0,0,0,1|2,0,0]=4 4561 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [0,1,0,0,0,1|2,0,0]=4 4562 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,1|2,0,0]=4 4563 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,1|2,0,0]=4 4564 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,1|2,0,0]=4 4565 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,1|2,0,0]=4 4566 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,1|2,0,0]=4 4567 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,1|2,0,0]=4 4568 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,1|2,0,0]=4 4569 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,1|2,0,0]=4 4570 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,1|2,0,0]=4 4571 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,1|2,0,0]=4 4572 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,1|2,0,0]=4 4573 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,1|2,0,0]=4 4574 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,1|2,0,0]=4 4575 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,1|2,0,0]=4 4576 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [0,1,0,0,0,1|2,0,0]=4 4577 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [0,1,0,0,0,1|2,0,0]=4 4578 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,1|2,0,0]=4 4579 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,1|2,0,0]=4 4580 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,1|2,0,0]=4 4581 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,1|2,0,0]=4 4582 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,1|2,0,0]=4 4583 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,1|2,0,0]=4 4584 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,1|2,0,0]=4 4585 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,1|2,0,0]=4 4586 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,1|2,0,0]=4 4587 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,1|2,0,0]=4 4588 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,1|2,0,0]=4 4589 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,1|2,0,0]=4 4590 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,1|2,0,0]=4 4591 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,1|2,0,0]=4 4592 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,1|2,0,0]=4 4593 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,1|2,0,0]=4 4594 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,1|2,0,0]=4 4595 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [0,1,0,0,0,1|2,0,0]=4 4596 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [0,1,0,0,0,1|2,0,0]=4 4597 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,1|2,0,0]=4 4598 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,1|2,0,0]=4 4599 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,1|2,0,0]=4 4600 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,1|2,0,0]=4 4601 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,1|2,0,0]=4 4602 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,1|2,0,0]=4 4603 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,1|2,0,0]=4 4604 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,1|2,0,0]=4 4605 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,1|2,0,0]=4 4606 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,1,0,0,0,1|2,0,0]=4 4607 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,1,0,0,0,1|2,0,0]=4 4608 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,1,0,0,0,1|2,0,0]=4 4609 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,1|1,0,1]=4 4610 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,1,0,0,0,1|1,0,1]=4 4611 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,1,0,0,0,1|1,0,1]=4 4612 B11R1.28 CCCC=Cc1cccnn1 271570a_100016258520_100016991348 [0,1,0,0,0,1|1,0,1]=4 4613 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,1,0,0,0,1|1,0,1]=4 4614 B11R1.28 CCCC=Cc1ccncn1 271570a_100016258520_100000703185 [0,1,0,0,0,1|1,0,1]=4 4615 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [0,1,0,0,0,1|1,0,1]=4 4616 B11R1.28 CCCC=Cc1ncccn1 271570a_100016258520_100000211032 [0,1,0,0,0,1|1,0,1]=4 4617 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,1|1,0,0]=3 4618 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,1,0,0,0,1|1,0,0]=3 4619 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,1,0,0,0,1|1,0,0]=3 4620 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,1,0,0,0,1|1,0,0]=3 4621 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,1,0,0,0,1|1,0,0]=3 4622 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,1|1,0,0]=3 4623 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,1|1,0,0]=3 4624 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,1|1,0,0]=3 4625 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,1|1,0,0]=3 4626 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,1|1,0,0]=3 4627 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,1,0,0,0,1|2,0,0]=4 4628 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,1,0,0,0,1|2,0,0]=4 4629 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,1|1,0,0]=3 4630 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,1|1,0,0]=3 4631 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,0,0,0,1|1,0,0]=3 4632 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,0,0,0,1|1,0,0]=3 4633 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,0,0,0,1|1,0,0]=3 4634 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,0,0,0,1|1,0,0]=3 4635 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,1,0,0,0,1|1,0,0]=3 4636 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,1,0,0,0,1|1,0,0]=3 4637 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,1,0,0,0,1|1,0,0]=3 4638 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,1,0,0,0,1|1,0,0]=3 4639 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,1,0,0,0,1|1,0,0]=3 4640 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,1,0,0,0,1|1,0,0]=3 4641 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,1,0,0,0,1|2,0,0]=4 4642 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,1,0,0,0,1|2,0,0]=4 4643 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,1,0,0,0,1|1,0,0]=3 4644 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,1,0,0,0,1|1,0,0]=3 4645 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,1,0,0,0,1|2,0,0]=4 4646 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,1,0,0,0,1|2,0,0]=4 4647 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,1,0,0,0,1|1,0,0]=3 4648 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,1,0,0,0,1|1,0,0]=3 4649 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,1|1,0,0]=3 4650 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,1|1,0,0]=3 4651 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,1|1,0,0]=3 4652 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,1|1,0,0]=3 4653 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,1|1,0,0]=3 4654 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,1|1,0,0]=3 4655 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,1|1,0,0]=3 4656 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,1|1,0,0]=3 4657 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,1,0,0,0,1|1,0,0]=3 4658 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,1|1,0,0]=3 4659 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,1,0,0,0,1|2,0,0]=4 4660 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,1,0,0,0,1|1,0,0]=3 4661 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,1,0,0,0,1|2,0,0]=4 4662 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,1,0,0,0,1|2,0,0]=4 4663 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,1,0,0,0,1|1,0,0]=3 4664 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,0,0,1|0,0,2]=4 4665 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,1|1,0,0]=3 4666 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,1|1,0,0]=3 4667 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,1|1,0,0]=3 4668 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,1|1,0,0]=3 4669 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,1|1,0,0]=3 4670 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,1,0,0,0,1|1,0,0]=3 4671 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,1,0,0,0,1|1,0,0]=3 4672 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,1,0,0,0,1|2,0,0]=4 4673 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,1,0,0,0,1|1,0,0]=3 4674 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,1|1,0,0]=3 4675 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,1|1,0,0]=3 4676 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,0,0,0,1|1,0,0]=3 4677 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,0,0,0,1|1,0,0]=3 4678 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,0,0,0,1|1,0,0]=3 4679 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,0,0,0,1|1,0,0]=3 4680 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,1,0,0,0,1|1,0,0]=3 4681 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,1,0,0,0,1|1,0,0]=3 4682 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,1,0,0,0,1|1,0,0]=3 4683 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,1,0,0,0,1|1,0,0]=3 4684 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,1,0,0,0,1|1,0,0]=3 4685 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,1,0,0,0,1|1,0,0]=3 4686 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,1,0,0,0,1|2,0,0]=4 4687 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,1,0,0,0,1|2,0,0]=4 4688 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,1,0,0,0,1|1,0,0]=3 4689 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,1,0,0,0,1|1,0,0]=3 4690 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,1|1,0,0]=3 4691 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,1|1,0,0]=3 4692 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,1|1,0,0]=3 4693 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,1|1,0,0]=3 4694 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,1|1,0,0]=3 4695 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,1|1,0,0]=3 4696 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,1|1,0,0]=3 4697 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,1|2,0,0]=4 4698 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,1|1,0,0]=3 4699 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,1|1,0,0]=3 4700 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,1|1,0,0]=3 4701 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,0,0,0,1|1,0,0]=3 4702 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,0,0,0,1|1,0,0]=3 4703 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,1,0,0,0,1|1,0,0]=3 4704 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,1,0,0,0,1|1,0,0]=3 4705 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,1,0,0,0,1|2,0,0]=4 4706 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,1|2,0,0]=4 4707 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,1|2,0,0]=4 4708 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,1,0,0,0,1|2,0,0]=4 4709 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,1,0,0,0,1|2,0,0]=4 4710 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,1,0,0,0,1|2,0,0]=4 4711 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,1,0,0,0,1|2,0,0]=4 4712 B11R1.28 CCOCSc1cccnn1 62a_100000739092_100016991348 [0,1,0,0,0,1|2,0,0]=4 4713 B11R1.28 CCOCSc1cccnn1 62a_100016991348_100000739092 [0,1,0,0,0,1|2,0,0]=4 4714 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,1,0,0,0,1|2,0,0]=4 4715 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,1,0,0,0,1|2,0,0]=4 4716 B11R1.28 CCOCSc1ccncn1 62a_100000703185_100000739092 [0,1,0,0,0,1|2,0,0]=4 4717 B11R1.28 CCOCSc1ccncn1 62a_100000739092_100000703185 [0,1,0,0,0,1|2,0,0]=4 4718 B11R1.28 CCOCSc1cnccn1 62a_100000211759_100000739092 [0,1,0,0,0,1|2,0,0]=4 4719 B11R1.28 CCOCSc1cnccn1 62a_100000739092_100000211759 [0,1,0,0,0,1|2,0,0]=4 4720 B11R1.28 CCOCSc1ncccn1 62a_100000211032_100000739092 [0,1,0,0,0,1|2,0,0]=4 4721 B11R1.28 CCOCSc1ncccn1 62a_100000739092_100000211032 [0,1,0,0,0,1|2,0,0]=4 4722 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,1|1,0,0]=3 4723 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,1|1,0,0]=3 4724 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,0,0,0,1|1,0,0]=3 4725 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,0,0,0,1|1,0,0]=3 4726 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,0,0,0,1|1,0,0]=3 4727 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,0,0,0,1|1,0,0]=3 4728 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,1,0,0,0,1|1,0,0]=3 4729 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,1,0,0,0,1|1,0,0]=3 4730 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,1|2,0,0]=4 4731 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,1|2,0,0]=4 4732 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,1|1,0,0]=3 4733 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,1|1,0,0]=3 4734 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,1|1,0,0]=3 4735 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,1|1,0,0]=3 4736 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,1|1,0,0]=3 4737 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,0,0,0,1|1,0,0]=3 4738 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,0,0,0,1|1,0,0]=3 4739 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,1,0,0,0,1|1,0,0]=3 4740 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,1|2,0,0]=4 4741 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,1|2,0,0]=4 4742 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,1|2,0,0]=4 4743 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,1|2,0,0]=4 4744 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,1|2,0,0]=4 4745 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,1|2,0,0]=4 4746 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,1|2,0,0]=4 4747 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,1|2,0,0]=4 4748 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,1|2,0,0]=4 4749 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,1|2,0,0]=4 4750 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,1|2,0,0]=4 4751 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,1|2,0,0]=4 4752 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,1|2,0,0]=4 4753 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,1|2,0,0]=4 4754 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,1|2,0,0]=4 4755 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,1|2,0,0]=4 4756 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,0,0,0,1|1,0,0]=3 4757 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,1|1,0,0]=3 4758 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,1|1,0,0]=3 4759 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,1|1,0,0]=3 4760 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,1|1,0,0]=3 4761 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,1|1,0,0]=3 4762 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,1|1,0,0]=3 4763 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,1|2,0,0]=4 4764 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,1|2,0,0]=4 4765 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [0,1,0,0,0,1|2,0,0]=4 4766 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,1,0,0,0,1|2,0,0]=4 4767 B11R1.28 COCCNc1ccncn1 27a_100000209980_100000703185 [0,1,0,0,0,1|2,0,0]=4 4768 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,1,0,0,0,1|2,0,0]=4 4769 B11R1.28 COCCNc1ncccn1 27a_100000209980_100000211032 [0,1,0,0,0,1|2,0,0]=4 4770 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,1|2,0,0]=4 4771 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,1|2,0,0]=4 4772 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,1|2,0,0]=4 4773 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,1|2,0,0]=4 4774 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,1|2,0,0]=4 4775 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,1|2,0,0]=4 4776 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,1|2,0,0]=4 4777 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,1|2,0,0]=4 4778 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,1|2,0,0]=4 4779 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,1|2,0,0]=4 4780 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,1|2,0,0]=4 4781 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,1|2,0,0]=4 4782 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,1,0,0,0,1|2,0,0]=4 4783 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,1,0,0,0,1|2,0,0]=4 4784 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,1,0,0,0,1|2,0,0]=4 4785 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,1,0,0,0,1|2,0,0]=4 4786 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,1,0,0,0,1|2,0,0]=4 4787 B11R1.28 COCCSc1cccnn1 62a_100000233755_100016991348 [0,1,0,0,0,1|2,0,0]=4 4788 B11R1.28 COCCSc1cccnn1 62a_100016991348_100000233755 [0,1,0,0,0,1|2,0,0]=4 4789 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,1,0,0,0,1|2,0,0]=4 4790 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,1,0,0,0,1|2,0,0]=4 4791 B11R1.28 COCCSc1ccncn1 62a_100000233755_100000703185 [0,1,0,0,0,1|2,0,0]=4 4792 B11R1.28 COCCSc1ccncn1 62a_100000703185_100000233755 [0,1,0,0,0,1|2,0,0]=4 4793 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,1,0,0,0,1|2,0,0]=4 4794 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,1,0,0,0,1|2,0,0]=4 4795 B11R1.28 COCCSc1ncccn1 62a_100000211032_100000233755 [0,1,0,0,0,1|2,0,0]=4 4796 B11R1.28 COCCSc1ncccn1 62a_100000233755_100000211032 [0,1,0,0,0,1|2,0,0]=4 4797 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,1|2,0,0]=4 4798 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,1,0,0,0,1|2,0,0]=4 4799 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,1|2,0,0]=4 4800 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,1|2,0,0]=4 4801 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,1|2,0,0]=4 4802 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,1|2,0,0]=4 4803 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,1|2,0,0]=4 4804 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,1|2,0,0]=4 4805 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,1|2,0,0]=4 4806 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,1|2,0,0]=4 4807 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,1,0,0,0,1|2,0,0]=4 4808 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,1,0,0,0,1|2,0,0]=4 4809 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,1|2,0,0]=4 4810 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,1|2,0,0]=4 4811 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,1,0,0,0,1|2,0,0]=4 4812 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,1,0,0,0,1|2,0,0]=4 4813 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [0,1,0,0,0,1|2,0,0]=4 4814 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [0,1,0,0,0,1|2,0,0]=4 4815 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,1|1,0,0]=3 4816 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,1|1,0,0]=3 4817 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,1|2,0,0]=4 4818 B11R1.28 CSCCNc1cccnn1 27a_100020590264_100016991348 [0,1,0,0,0,1|2,0,0]=4 4819 B11R1.28 CSCCNc1ccncn1 27a_100020590264_100000703185 [0,1,0,0,0,1|2,0,0]=4 4820 B11R1.28 CSCCNc1cnccn1 27a_100020590264_100000211759 [0,1,0,0,0,1|2,0,0]=4 4821 B11R1.28 CSCCNc1ncccn1 27a_100020590264_100000211032 [0,1,0,0,0,1|2,0,0]=4 4822 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,1|2,0,0]=4 4823 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,1|2,0,0]=4 4824 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,1|2,0,0]=4 4825 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,1|2,0,0]=4 4826 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,1|2,0,0]=4 4827 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,1|2,0,0]=4 4828 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,1|2,0,0]=4 4829 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,1|2,0,0]=4 4830 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,1|2,0,0]=4 4831 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,1|2,0,0]=4 4832 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,1|2,0,0]=4 4833 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,1,0,0,0,1|2,0,0]=4 4834 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,1,0,0,0,1|2,0,0]=4 4835 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,1,0,0,0,1|2,0,0]=4 4836 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,1,0,0,0,1|2,0,0]=4 4837 B11R1.28 CSCCSc1cccnn1 62a_100000212216_100016991348 [0,1,0,0,0,1|2,0,0]=4 4838 B11R1.28 CSCCSc1cccnn1 62a_100016991348_100000751147 [0,1,0,0,0,1|2,0,0]=4 4839 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,1,0,0,0,1|2,0,0]=4 4840 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,1,0,0,0,1|2,0,0]=4 4841 B11R1.28 CSCCSc1ccncn1 62a_100000212216_100000703185 [0,1,0,0,0,1|2,0,0]=4 4842 B11R1.28 CSCCSc1ccncn1 62a_100000703185_100000751147 [0,1,0,0,0,1|2,0,0]=4 4843 B11R1.28 CSCCSc1cnccn1 62a_100000211759_100000751147 [0,1,0,0,0,1|2,0,0]=4 4844 B11R1.28 CSCCSc1cnccn1 62a_100000212216_100000211759 [0,1,0,0,0,1|2,0,0]=4 4845 B11R1.28 CSCCSc1ncccn1 62a_100000211032_100000751147 [0,1,0,0,0,1|2,0,0]=4 4846 B11R1.28 CSCCSc1ncccn1 62a_100000212216_100000211032 [0,1,0,0,0,1|2,0,0]=4 4847 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,1|2,0,0]=4 4848 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,1|2,0,0]=4 4849 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [0,1,0,0,0,1|2,0,0]=4 4850 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,1|2,0,0]=4 4851 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,1|2,0,0]=4 4852 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,1|2,0,0]=4 4853 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,1|2,0,0]=4 4854 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,1|2,0,0]=4 4855 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,1|2,0,0]=4 4856 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,1|2,0,0]=4 4857 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,1,0,0,0,1|2,0,0]=4 4858 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,1,0,0,0,1|2,0,0]=4 4859 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,1,0,0,0,1|2,0,0]=4 4860 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,1,0,0,0,1|2,0,0]=4 4861 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [0,1,0,0,0,1|2,0,0]=4 4862 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [0,1,0,0,0,1|2,0,0]=4 4863 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,1,0,0,0,1|2,0,0]=4 4864 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,1,0,0,0,1|2,0,0]=4 4865 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,1,0,0,0,1|2,0,0]=4 4866 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,1,0,0,0,1|2,0,0]=4 4867 B11R1.28 CSCSCc1ncccn1 62a_100000703007_100011218213 [0,1,0,0,0,1|2,0,0]=4 4868 B11R1.28 CSCSCc1ncccn1 62a_100011218213_100000703007 [0,1,0,0,0,1|2,0,0]=4 4869 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,1|2,0,0]=4 4870 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,1,0,0,0,1|2,0,0]=4 4871 B11R1.28 FCCCNc1ccncn1 27a_100015189416_100000703185 [0,1,0,0,0,1|2,0,0]=4 4872 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,1,0,0,0,1|2,0,0]=4 4873 B11R1.28 FCCCNc1ncccn1 27a_100015189416_100000211032 [0,1,0,0,0,1|2,0,0]=4 4874 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,1|2,0,0]=4 4875 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,1|2,0,0]=4 4876 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,0,0,0,1|2,0,0]=4 4877 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,0,0,0,1|2,0,0]=4 4878 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,1,0,0,0,1|2,0,0]=4 4879 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,1|2,0,0]=4 4880 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,1|2,0,0]=4 4881 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,1,0,0,0,1|2,0,0]=4 4882 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,1,0,0,0,1|2,0,0]=4 4883 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,1,0,0,0,1|2,0,0]=4 4884 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,1,0,0,0,1|2,0,0]=4 4885 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,1,0,0,0,1|2,0,0]=4 4886 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,1,0,0,0,1|2,0,0]=4 4887 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,1,0,0,0,1|2,0,0]=4 4888 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,1,0,0,0,1|2,0,0]=4 4889 B11R1.28 FCCCSc1ccncn1 62a_100000703185_100011934791 [0,1,0,0,0,1|2,0,0]=4 4890 B11R1.28 FCCCSc1ccncn1 62a_100011934791_100000703185 [0,1,0,0,0,1|2,0,0]=4 4891 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,1,0,0,0,1|2,0,0]=4 4892 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,1,0,0,0,1|2,0,0]=4 4893 B11R1.28 FCCCSc1ncccn1 62a_100000211032_100011934791 [0,1,0,0,0,1|2,0,0]=4 4894 B11R1.28 FCCCSc1ncccn1 62a_100011934791_100000211032 [0,1,0,0,0,1|2,0,0]=4 4895 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,1|2,0,0]=4 4896 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,1|2,0,0]=4 4897 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,1|2,0,0]=4 4898 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,1|2,0,0]=4 4899 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,0,0,0,1|2,0,0]=4 4900 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,1,0,0,0,1|2,0,0]=4 4901 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,1,0,0,0,1|2,0,0]=4 4902 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,1,0,0,0,1|2,0,0]=4 4903 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,1,0,0,0,1|2,0,0]=4 4904 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,1|2,0,0]=4 4905 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,1|2,0,0]=4 4906 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,1|2,0,0]=4 4907 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,1|2,0,0]=4 4908 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,0,0,0,1|2,0,0]=4 4909 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,0,0,0,1|2,0,0]=4 4910 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,1,0,0,0,1|2,0,0]=4 4911 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,1,0,0,0,1|2,0,0]=4 4912 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,1,0,0,0,1|2,0,0]=4 4913 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,1,0,0,0,1|2,0,0]=4 4914 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,1,0,0,0,1|2,0,0]=4 4915 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,1,0,0,0,1|2,0,0]=4 4916 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,1,0,0,0,1|2,0,0]=4 4917 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,1,0,0,0,1|2,0,0]=4 4918 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,1,0,0,0,1|2,0,0]=4 4919 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,1,0,0,0,1|2,0,0]=4 4920 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,1|2,0,0]=4 4921 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,1|2,0,0]=4 4922 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,1|2,0,0]=4 4923 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,0,0,0,1|2,0,0]=4 4924 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,0,0,0,1|2,0,0]=4 4925 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,1,0,0,0,1|2,0,0]=4 4926 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,1,0,0,0,1|2,0,0]=4 4927 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,1|2,0,0]=4 4928 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,1|2,0,0]=4 4929 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,1,0,0,0,1|2,0,0]=4 4930 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,1,0,0,0,1|2,0,0]=4 4931 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,1,0,0,0,1|2,0,0]=4 4932 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,1,0,0,0,1|2,0,0]=4 4933 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,1,0,0,0,1|2,0,0]=4 4934 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,1,0,0,0,1|2,0,0]=4 4935 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,1|2,0,0]=4 4936 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,1|2,0,0]=4 4937 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,1|2,0,0]=4 4938 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,1,0,0,0,1|2,0,0]=4 4939 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,0,0,0,1|2,0,0]=4 4940 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,1,0,0,0,1|2,0,0]=4 4941 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,1|2,0,0]=4 4942 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,1,0,0,0,1|2,0,0]=4 4943 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,1,0,0,0,1|2,0,0]=4 4944 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,1,0,0,0,1|2,0,0]=4 4945 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,1,0,0,0,1|2,0,0]=4 4946 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,1|2,0,0]=4 4947 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,1|2,0,0]=4 4948 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,1|2,0,0]=4 4949 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,1|2,0,0]=4 4950 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,1|2,0,0]=4 4951 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,1|2,0,0]=4 4952 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,1|2,0,0]=4 4953 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,0,0,0,1|2,0,0]=4 4954 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,0,0,0,1|2,0,0]=4 4955 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,1,0,0,0,1|2,0,0]=4 4956 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,1,0,0,0,1|2,0,0]=4 4957 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,1,0,0,0,1|2,0,0]=4 4958 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,1,0,0,0,1|2,0,0]=4 4959 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,1,0,0,0,1|2,0,0]=4 4960 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,1,0,0,0,1|2,0,0]=4 4961 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,1,0,0,0,1|2,0,0]=4 4962 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,1,0,0,0,1|2,0,0]=4 4963 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,1,0,0,0,1|2,0,0]=4 4964 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,1,0,0,0,1|2,0,0]=4 4965 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,1,0,0,0,1|2,0,0]=4 4966 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,1,0,0,0,1|2,0,0]=4 4967 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,1|2,0,0]=4 4968 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,1|2,0,0]=4 4969 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,1|2,0,0]=4 4970 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,1|2,0,0]=4 4971 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,1|2,0,0]=4 4972 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,1|2,0,0]=4 4973 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,1|2,0,0]=4 4974 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,1|2,0,0]=4 4975 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,1|2,0,0]=4 4976 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,1|2,0,0]=4 4977 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,1|2,0,0]=4 4978 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,1|2,0,0]=4 4979 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,1|2,0,0]=4 4980 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,1|2,0,0]=4 4981 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,1,0,0,0,1|2,0,0]=4 4982 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,1,0,0,0,1|2,0,0]=4 4983 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,1,0,0,0,1|2,0,0]=4 4984 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,1|2,0,0]=4 4985 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,1|2,0,0]=4 4986 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,1,0,0,0,1|2,0,0]=4 4987 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,1,0,0,0,1|2,0,0]=4 4988 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,1,0,0,0,1|2,0,0]=4 4989 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,1,0,0,0,1|2,0,0]=4 4990 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,1,0,0,0,1|2,0,0]=4 4991 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,1,0,0,0,1|2,0,0]=4 4992 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,1|2,0,0]=4 4993 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,1|2,0,0]=4 4994 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,1|2,0,0]=4 4995 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,1|2,0,0]=4 4996 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,1|2,0,0]=4 4997 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,1|2,0,0]=4 4998 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,0,0,0,1|2,0,0]=4 4999 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,0,0,0,1|2,0,0]=4 5000 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,1,0,0,0,1|2,0,0]=4 5001 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,1,0,0,0,1|2,0,0]=4 5002 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,1,0,0,0,1|2,0,0]=4 5003 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,1,0,0,0,1|2,0,0]=4 5004 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,1,0,0,0,1|2,0,0]=4 5005 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,1,0,0,0,1|2,0,0]=4 5006 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,1,0,0,0,1|2,0,0]=4 5007 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,1,0,0,0,1|2,0,0]=4 5008 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,1|1,0,0]=3 5009 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,1|1,0,0]=3 5010 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,0,0,0,1|1,0,0]=3 5011 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,0,0,0,1|1,0,0]=3 5012 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,1,0,0,0,1|1,0,0]=3 5013 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,1|2,0,0]=4 5014 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,1|2,0,0]=4 5015 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,1|2,0,0]=4 5016 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,1|2,0,0]=4 5017 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,1|2,0,0]=4 5018 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,0,0,0,1|1,0,0]=3 5019 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,1|1,0,0]=3 5020 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,1|1,0,0]=3 5021 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,1|1,0,0]=3 5022 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,1|1,0,0]=3 5023 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,1|1,0,0]=3 5024 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,1|2,0,0]=4 5025 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,1,0,0,0,1|2,0,0]=4 5026 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,1|2,0,0]=4 5027 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,1|2,0,0]=4 5028 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,1|2,0,0]=4 5029 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,1,0,0,0,1|2,0,0]=4 5030 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,1|1,0,0]=3 5031 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,1|1,0,0]=3 5032 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,1|2,0,0]=4 5033 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,1|2,0,0]=4 5034 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,1|2,0,0]=4 5035 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,1|2,0,0]=4 5036 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,1|2,0,0]=4 5037 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,1|2,0,0]=4 5038 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,1|2,0,0]=4 5039 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,1|2,0,0]=4 5040 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,1|2,0,0]=4 5041 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,1|2,0,0]=4 5042 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,1|2,0,0]=4 5043 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,1|2,0,0]=4 5044 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,1|2,0,0]=4 5045 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,1,0,0,0,1|2,0,0]=4 5046 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,1,0,0,0,1|2,0,0]=4 5047 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|1,0,1]=4 5048 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|1,0,1]=4 5049 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|1,0,1]=4 5050 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|1,0,1]=4 5051 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|1,0,1]=4 5052 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,1|1,0,1]=4 5053 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,1|1,0,1]=4 5054 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|1,0,1]=4 5055 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,1|1,0,1]=4 5056 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,1|2,0,0]=4 5057 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,1|2,0,0]=4 5058 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,1|2,0,0]=4 5059 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,1|2,0,0]=4 5060 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,1|2,0,0]=4 5061 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,1|2,0,0]=4 5062 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,1|2,0,0]=4 5063 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,1|2,0,0]=4 5064 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,0,0,0,1|2,0,0]=4 5065 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,0,0,0,1|2,0,0]=4 5066 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,1,0,0,0,1|2,0,0]=4 5067 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,1,0,0,0,1|2,0,0]=4 5068 B11R1.40 CCC(C)Sc1cccnn1 62a_100000758301_100016991348 [0,1,0,0,0,1|2,0,0]=4 5069 B11R1.40 CCC(C)Sc1cccnn1 62a_100016991348_100000758301 [0,1,0,0,0,1|2,0,0]=4 5070 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,1,0,0,0,1|2,0,0]=4 5071 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,1,0,0,0,1|2,0,0]=4 5072 B11R1.40 CCC(C)Sc1ccncn1 62a_100000703185_100000758301 [0,1,0,0,0,1|2,0,0]=4 5073 B11R1.40 CCC(C)Sc1ccncn1 62a_100000758301_100000703185 [0,1,0,0,0,1|2,0,0]=4 5074 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,1,0,0,0,1|2,0,0]=4 5075 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,1,0,0,0,1|2,0,0]=4 5076 B11R1.40 CCC(C)Sc1ncccn1 62a_100000211032_100000758301 [0,1,0,0,0,1|2,0,0]=4 5077 B11R1.40 CCC(C)Sc1ncccn1 62a_100000758301_100000211032 [0,1,0,0,0,1|2,0,0]=4 5078 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,1|2,0,0]=4 5079 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,1|2,0,0]=4 5080 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,1|2,0,0]=4 5081 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,1|2,0,0]=4 5082 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,1|2,0,0]=4 5083 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,1|2,0,0]=4 5084 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,1|2,0,0]=4 5085 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,1|2,0,0]=4 5086 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,1|2,0,0]=4 5087 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,1|2,0,0]=4 5088 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,1|2,0,0]=4 5089 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,1|2,0,0]=4 5090 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,1,0,0,0,1|2,0,0]=4 5091 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,1,0,0,0,1|2,0,0]=4 5092 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,1,0,0,0,1|2,0,0]=4 5093 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,1,0,0,0,1|2,0,0]=4 5094 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,1,0,0,0,1|2,0,0]=4 5095 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,1,0,0,0,1|2,0,0]=4 5096 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [0,1,0,0,0,1|2,0,0]=4 5097 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,1,0,0,0,1|2,0,0]=4 5098 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,1,0,0,0,1|2,0,0]=4 5099 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,1,0,0,0,1|2,0,0]=4 5100 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,1,0,0,0,1|2,0,0]=4 5101 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,1,0,0,0,1|2,0,0]=4 5102 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,1,0,0,0,1|2,0,0]=4 5103 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,1,0,0,0,1|2,0,0]=4 5104 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,1,0,0,0,1|2,0,0]=4 5105 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,1,0,0,0,1|2,0,0]=4 5106 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,1,0,0,0,1|2,0,0]=4 5107 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [0,1,0,0,0,1|2,0,0]=4 5108 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [0,1,0,0,0,1|2,0,0]=4 5109 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [0,1,0,0,0,1|2,0,0]=4 5110 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [0,1,0,0,0,1|2,0,0]=4 5111 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,1|2,0,0]=4 5112 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,1|2,0,0]=4 5113 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,1|2,0,0]=4 5114 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,1|2,0,0]=4 5115 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,1,0,0,0,1|2,0,0]=4 5116 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,1,0,0,0,1|2,0,0]=4 5117 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,1,0,0,0,1|2,0,0]=4 5118 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,1,0,0,0,1|2,0,0]=4 5119 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,1|2,0,0]=4 5120 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,1|2,0,0]=4 5121 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,1|2,0,0]=4 5122 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,1,0,0,0,1|2,0,0]=4 5123 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,1,0,0,0,1|2,0,0]=4 5124 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,1,0,0,0,1|2,0,0]=4 5125 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,1,0,0,0,1|2,0,0]=4 5126 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,1,0,0,0,1|2,0,0]=4 5127 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,1|2,0,0]=4 5128 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,1|2,0,0]=4 5129 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,1|2,0,0]=4 5130 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,1|2,0,0]=4 5131 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,1|2,0,0]=4 5132 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,1|1,0,1]=4 5133 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,1|1,0,1]=4 5134 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,1|1,0,1]=4 5135 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,1|1,0,1]=4 5136 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,1|1,0,1]=4 5137 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,1|1,0,1]=4 5138 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,1|1,0,1]=4 5139 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,1|1,0,1]=4 5140 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,1|2,0,0]=4 5141 B11R1.91 CC(C)CNc1cccnn1 27a_100000210953_100016991348 [0,1,0,0,0,1|2,0,0]=4 5142 B11R1.91 CC(C)CNc1ccncn1 27a_100000210953_100000703185 [0,1,0,0,0,1|2,0,0]=4 5143 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,1,0,0,0,1|2,0,0]=4 5144 B11R1.91 CC(C)CNc1ncccn1 27a_100000210953_100000211032 [0,1,0,0,0,1|2,0,0]=4 5145 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,1|2,0,0]=4 5146 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,1|2,0,0]=4 5147 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,1,0,0,0,1|2,0,0]=4 5148 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,1,0,0,0,1|2,0,0]=4 5149 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,1,0,0,0,1|2,0,0]=4 5150 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,1|2,0,0]=4 5151 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,1|2,0,0]=4 5152 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,1,0,0,0,1|2,0,0]=4 5153 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,1,0,0,0,1|2,0,0]=4 5154 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,1,0,0,0,1|2,0,0]=4 5155 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,1,0,0,0,1|2,0,0]=4 5156 B11R1.91 CC(C)CSc1cccnn1 62a_100000210624_100016991348 [0,1,0,0,0,1|2,0,0]=4 5157 B11R1.91 CC(C)CSc1cccnn1 62a_100016991348_100000210760 [0,1,0,0,0,1|2,0,0]=4 5158 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [0,1,0,0,0,1|2,0,0]=4 5159 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [0,1,0,0,0,1|2,0,0]=4 5160 B11R1.91 CC(C)CSc1ccncn1 62a_100000210624_100000703185 [0,1,0,0,0,1|2,0,0]=4 5161 B11R1.91 CC(C)CSc1ccncn1 62a_100000703185_100000210760 [0,1,0,0,0,1|2,0,0]=4 5162 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,1,0,0,0,1|2,0,0]=4 5163 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,1,0,0,0,1|2,0,0]=4 5164 B11R1.91 CC(C)CSc1ncccn1 62a_100000210624_100000211032 [0,1,0,0,0,1|2,0,0]=4 5165 B11R1.91 CC(C)CSc1ncccn1 62a_100000211032_100000210760 [0,1,0,0,0,1|2,0,0]=4 5166 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,1|2,0,0]=4 5167 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,1|2,0,0]=4 5168 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,1|2,0,0]=4 5169 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,1|2,0,0]=4 5170 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,1|2,0,0]=4 5171 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,1,0,0,0,1|2,0,0]=4 5172 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,1,0,0,0,1|2,0,0]=4 5173 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,1,0,0,0,1|2,0,0]=4 5174 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,1,0,0,0,1|2,0,0]=4 5175 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,1,0,0,0,1|2,0,0]=4 5176 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,1,0,0,0,1|2,0,0]=4 5177 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [0,1,0,0,0,1|2,0,0]=4 5178 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [0,1,0,0,0,1|2,0,0]=4 5179 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [0,1,0,0,0,1|2,0,0]=4 5180 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,1,0,0,0,1|2,0,0]=4 5181 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,1,0,0,0,1|2,0,0]=4 5182 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,1,0,0,0,1|2,0,0]=4 5183 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,1,0,0,0,1|2,0,0]=4 5184 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [0,1,0,0,0,1|2,0,0]=4 5185 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [0,1,0,0,0,1|2,0,0]=4 5186 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,1|2,0,0]=4 5187 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,1|2,0,0]=4 5188 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,1|2,0,0]=4 5189 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,1,0,0,0,1|2,0,0]=4 5190 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,1,0,0,0,1|2,0,0]=4 5191 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,1,0,0,0,1|2,0,0]=4 5192 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,1,0,0,0,1|2,0,0]=4 5193 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,1,0,0,0,1|2,0,0]=4 5194 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,1|2,0,0]=4 5195 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,1|2,0,0]=4 5196 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,1,0,0,0,1|2,0,0]=4 5197 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,1,0,0,0,1|2,0,0]=4 5198 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,1,0,0,0,1|2,0,0]=4 5199 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,1,0,0,0,1|2,0,0]=4 5200 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [0,1,0,0,0,1|2,0,0]=4 5201 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [0,1,0,0,0,1|2,0,0]=4 5202 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [0,1,0,0,0,1|2,0,0]=4 5203 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [0,1,0,0,0,1|2,0,0]=4 5204 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,1,0,0,0,1|2,0,0]=4 5205 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,1,0,0,0,1|2,0,0]=4 5206 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [0,1,0,0,0,1|2,0,0]=4 5207 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [0,1,0,0,0,1|2,0,0]=4 5208 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,1|2,0,0]=4 5209 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,1,0,0,0,1|2,0,0]=4 5210 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,1,0,0,0,1|2,0,0]=4 5211 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,1,0,0,0,1|2,0,0]=4 5212 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,1,0,0,0,1|2,0,0]=4 5213 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,1|2,0,0]=4 5214 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,1|2,0,0]=4 5215 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,1,0,0,0,1|2,0,0]=4 5216 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,1,0,0,0,1|2,0,0]=4 5217 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,1,0,0,0,1|2,0,0]=4 5218 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,1|2,0,0]=4 5219 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,1|2,0,0]=4 5220 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,1,0,0,0,1|2,0,0]=4 5221 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,1,0,0,0,1|2,0,0]=4 5222 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,1,0,0,0,1|2,0,0]=4 5223 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,1,0,0,0,1|2,0,0]=4 5224 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,1,0,0,0,1|2,0,0]=4 5225 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,1,0,0,0,1|2,0,0]=4 5226 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,1,0,0,0,1|2,0,0]=4 5227 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,1,0,0,0,1|2,0,0]=4 5228 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,1,0,0,0,1|2,0,0]=4 5229 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,1,0,0,0,1|2,0,0]=4 5230 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,1,0,0,0,1|2,0,0]=4 5231 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,1,0,0,0,1|2,0,0]=4 5232 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,1,0,0,0,1|2,0,0]=4 5233 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,1,0,0,0,1|2,0,0]=4 5234 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,1|2,0,0]=4 5235 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,1|2,0,0]=4 5236 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,1|2,0,0]=4 5237 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,1|2,0,0]=4 5238 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,1,0,0,0,1|2,0,0]=4 5239 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,1,0,0,0,1|2,0,0]=4 5240 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,1,0,0,0,1|2,0,0]=4 5241 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,1,0,0,0,1|2,0,0]=4 5242 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,1,0,0,0,1|2,0,0]=4 5243 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,1,0,0,0,1|2,0,0]=4 5244 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,1,0,0,0,1|2,0,0]=4 5245 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,1,0,0,0,1|2,0,0]=4 5246 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,1,0,0,0,1|2,0,0]=4 5247 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,1,0,0,0,1|2,0,0]=4 5248 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,1,0,0,0,1|2,0,0]=4 5249 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,1,0,0,0,1|2,0,0]=4 5250 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,1|2,0,0]=4 5251 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,1|2,0,0]=4 5252 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,1,0,0,0,1|2,0,0]=4 5253 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,1,0,0,0,1|2,0,0]=4 5254 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,1,0,0,0,1|2,0,0]=4 5255 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,1,0,0,0,1|2,0,0]=4 5256 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,1,0,0,0,1|2,0,0]=4 5257 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,1,0,0,0,1|2,0,0]=4 5258 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,1|2,0,0]=4 5259 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,1|2,0,0]=4 5260 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,1|2,0,0]=4 5261 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,1,0,0,0,1|2,0,0]=4 5262 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,1,0,0,0,1|2,0,0]=4 5263 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,1,0,0,0,1|2,0,0]=4 5264 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,1|2,0,0]=4 5265 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,1|2,0,0]=4 5266 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,1,0,0,0,1|2,0,0]=4 5267 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,1,0,0,0,1|2,0,0]=4 5268 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,1,0,0,0,1|2,0,0]=4 5269 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,1,0,0,0,1|2,0,0]=4 5270 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,1,0,0,0,1|2,0,0]=4 5271 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,1,0,0,0,1|2,0,0]=4 5272 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,1,0,0,0,1|2,0,0]=4 5273 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,1,0,0,0,1|2,0,0]=4 5274 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,1,0,0,0,1|2,0,0]=4 5275 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,1,0,0,0,1|2,0,0]=4 5276 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,1,0,0,0,1|2,0,0]=4 5277 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,1,0,0,0,1|2,0,0]=4 5278 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,1,0,0,0,1|2,0,0]=4 5279 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,1,0,0,0,1|2,0,0]=4 5280 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,1|1,0,1]=4 5281 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,1|1,0,1]=4 5282 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,1|1,0,1]=4 5283 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,1|1,0,1]=4 5284 B11R1.2 C=CCC(OC)c1ccco1 34a_100011729935_200000210301 [0,2,0,0,0,0|0,0,2]=4 5285 B11R1.2 C=CCC(OC)c1ccco1 7a_100011729935_200000210301 [0,2,0,0,0,0|0,0,2]=4 5286 B11R1.2 C=CCC(O[13CH3])c1ccco1 34a_100011729935_200025704644 [0,2,0,0,0,0|0,0,2]=4 5287 B11R1.2 C=CCC(O[13CH3])c1ccco1 7a_100011729935_200025704644 [0,2,0,0,0,0|0,0,2]=4 5288 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [0,2,0,0,0,0|0,0,0]=2 5289 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,2,0,0,0,0|0,1,0]=3 5290 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,2,0,0,0,0|0,1,0]=3 5291 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,2,0,0,0,0|0,1,0]=3 5292 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,2,0,0,0,0|0,1,0]=3 5293 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,2,0,0,0,0|0,1,0]=3 5294 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [0,2,0,0,0,0|2,0,0]=4 5295 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [0,2,0,0,0,0|1,0,0]=3 5296 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [0,2,0,0,0,0|1,0,0]=3 5297 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [0,2,0,0,0,0|1,1,0]=4 5298 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [0,2,0,0,0,0|1,1,0]=4 5299 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [0,2,0,0,0,0|1,1,0]=4 5300 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [0,2,0,0,0,0|1,0,0]=3 5301 B11R1.2 NCC(OCF)c1ccco1 34a_100000738650_100015361967 [0,2,0,0,0,0|2,0,0]=4 5302 B11R1.15 CCCC(C)c1nc(no1)C 270196a_100000212224_100000210906 [0,2,0,0,0,0|2,0,0]=4 5303 B11R1.15 CCC[C@H](O)c1nc(no1)C 270196a_100000212224_100009822183 [0,2,0,0,0,0|2,0,0]=4 5304 B11R1.15 CCNC(C)c1cc(cs1)Br 2230a_100159270200_100000210202 [0,2,0,0,0,0|1,1,0]=4 5305 B11R1.15 CCNC(C)c1cc(cs1)Br 269862a_100015525214_100000718618 [0,2,0,0,0,0|1,1,0]=4 5306 B11R1.15 CCNC(C)c1cc(cs1)Br 34a_100159270200_100000210202 [0,2,0,0,0,0|1,1,0]=4 5307 B11R1.15 CCNC(C)c1cc(cs1)C 269862a_100015525214_100000034720 [0,2,0,0,0,0|1,1,0]=4 5308 B11R1.15 CCNC(C)c1cc(cs1)Cl 269862a_100015525214_100000061699 [0,2,0,0,0,0|1,1,0]=4 5309 B11R1.15 CCNC(C)c1ccc([nH]1)Br 269862a_100015525214_200010494458 [0,2,0,0,0,0|2,0,0]=4 5310 B11R1.15 CCNC(C)c1ccc(o1)C 269862a_100015525214_100000204583 [0,2,0,0,0,0|1,0,0]=3 5311 B11R1.15 CCNC(C)c1ccc(s1)Br 2230a_100102723530_100000210202 [0,2,0,0,0,0|1,1,0]=4 5312 B11R1.15 CCNC(C)c1ccc(s1)Br 269862a_100015525214_100000183331 [0,2,0,0,0,0|1,1,0]=4 5313 B11R1.15 CCNC(C)c1ccc(s1)C 269862a_100015525214_100000195387 [0,2,0,0,0,0|1,1,0]=4 5314 B11R1.15 CCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000210202 [0,2,0,0,0,0|1,1,0]=4 5315 B11R1.15 CCNC(C)c1ccc(s1)Cl 269862a_100015525214_100000182421 [0,2,0,0,0,0|1,1,0]=4 5316 B11R1.15 CCNC(C)c1ccc(s1)I 269862a_100015525214_200000034408 [0,2,0,0,0,0|1,1,0]=4 5317 B11R1.15 CCNC(C)c1nc(co1)C 270004a_100015525214_100009826828 [0,2,0,0,0,0|2,0,0]=4 5318 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,2,0,0,0,0|1,0,1]=4 5319 B11R1.29 C#CCN[C@H](C)c1ccco1 2230a_100160469435_100000038162 [0,2,0,0,0,0|0,0,2]=4 5320 B11R1.29 C#CCO[C@@H](C)c1ccco1 34a_100000755270_100000184674 [0,2,0,0,0,0|0,0,2]=4 5321 B11R1.29 C#CCO[C@@H](C)c1ccco1 7a_100000755270_100000038162 [0,2,0,0,0,0|0,0,2]=4 5322 B11R1.29 C=CCN[C@H](C)c1ccco1 2230a_100160469435_100000210623 [0,2,0,0,0,0|0,0,2]=4 5323 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [0,2,0,0,0,0|0,0,2]=4 5324 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [0,2,0,0,0,0|0,0,2]=4 5325 B11R1.29 CC(CCO[13CH3])n1cccn1 34a_100000090012_200025704644 [0,2,0,0,0,0|2,0,0]=4 5326 B11R1.29 CC(CCO[13CH3])n1cccn1 7a_100000090012_200025704644 [0,2,0,0,0,0|2,0,0]=4 5327 B11R1.29 CC(NCCF)c1ccc[nH]1 269862a_100000724931_100000183661 [0,2,0,0,0,0|2,0,0]=4 5328 B11R1.29 CC(NCCF)c1cccs1 2230a_100000703493_100011217306 [0,2,0,0,0,0|1,1,0]=4 5329 B11R1.29 CC(NCCF)c1cccs1 269862a_100000724931_100000185736 [0,2,0,0,0,0|1,1,0]=4 5330 B11R1.29 CC(NCCO)c1ccc[nH]1 269862a_100000210304_100000183661 [0,2,0,0,0,0|2,0,0]=4 5331 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [0,2,0,0,0,0|1,1,0]=4 5332 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [0,2,0,0,0,0|1,1,0]=4 5333 B11R1.29 CCCNC(C)c1cc[nH]c1 269862a_100020643023_100000753940 [0,2,0,0,0,0|2,0,0]=4 5334 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,2,0,0,0,0|1,0,0]=3 5335 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,2,0,0,0,0|0,1,0]=3 5336 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,2,0,0,0,0|0,1,0]=3 5337 B11R1.29 CCCNC(C)c1ccn[nH]1 269862a_100020643023_100000747476 [0,2,0,0,0,0|2,0,0]=4 5338 B11R1.29 CCCNC(C)c1ccoc1 2230a_100000690049_100000210303 [0,2,0,0,0,0|2,0,0]=4 5339 B11R1.29 CCCNC(C)c1ccsc1 2230a_100000748604_100000210303 [0,2,0,0,0,0|2,0,0]=4 5340 B11R1.29 CCCNC(C)c1ccsc1 269862a_100020643023_100000747891 [0,2,0,0,0,0|2,0,0]=4 5341 B11R1.29 CCCNC(C)c1cscn1 269862a_100020643023_100000693406 [0,2,0,0,0,0|2,0,0]=4 5342 B11R1.29 CCCNC(C)c1ncc[nH]1 269862a_100020643023_100000718901 [0,2,0,0,0,0|2,0,0]=4 5343 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [0,2,0,0,0,0|1,1,0]=4 5344 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,2,0,0,0,0|0,0,0]=2 5345 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,2,0,0,0,0|2,0,0]=4 5346 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,2,0,0,0,0|2,0,0]=4 5347 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,2,0,0,0,0|1,1,0]=4 5348 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,2,0,0,0,0|0,0,0]=2 5349 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,2,0,0,0,0|0,0,0]=2 5350 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,2,0,0,0,0|0,1,0]=3 5351 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,2,0,0,0,0|0,1,1]=4 5352 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,2,0,0,0,0|0,0,0]=2 5353 B11R1.29 CCNCC(O)c1ccsc1 2230a_100000758718_100000210202 [0,2,0,0,0,0|2,0,0]=4 5354 B11R1.29 CCNCC(O)c1ccsc1 34a_100000758718_100000210202 [0,2,0,0,0,0|2,0,0]=4 5355 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,2,0,0,0,0|1,0,1]=4 5356 B11R1.29 CCOCC(C)n1cccn1 34a_100011935049_100000210202 [0,2,0,0,0,0|2,0,0]=4 5357 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,2,0,0,0,0|0,1,0]=3 5358 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,2,0,0,0,0|1,0,1]=4 5359 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,2,0,0,0,0|1,0,1]=4 5360 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,2,0,0,0,0|0,0,1]=3 5361 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,2,0,0,0,0|0,0,1]=3 5362 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,2,0,0,0,0|0,1,1]=4 5363 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,2,0,0,0,0|0,1,1]=4 5364 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,2,0,0,0,0|0,1,1]=4 5365 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,2,0,0,0,0|0,1,1]=4 5366 B11R1.29 COCCC(C)n1cccn1 34a_100000090012_200000210301 [0,2,0,0,0,0|2,0,0]=4 5367 B11R1.29 COCCC(C)n1cccn1 7a_100000090012_200000210301 [0,2,0,0,0,0|2,0,0]=4 5368 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [0,2,0,0,0,0|1,1,0]=4 5369 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,2,0,0,0,0|1,0,0]=3 5370 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,2,0,0,0,0|0,1,1]=4 5371 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,2,0,0,0,0|0,1,1]=4 5372 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [0,2,0,0,0,0|1,1,0]=4 5373 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,2,0,0,0,0|1,0,0]=3 5374 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,2,0,0,0,0|1,0,0]=3 5375 B11R1.29 C[C@@H](NCC#N)c1ccco1 2230a_100160469435_100011215382 [0,2,0,0,0,0|1,0,1]=4 5376 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [0,2,0,0,0,0|1,0,1]=4 5377 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,2,0,0,0,0|1,0,0]=3 5378 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,2,0,0,0,0|1,0,0]=3 5379 B11R1.29 C[C@@H](OCCF)c1cccs1 7a_100000750433_100011217306 [0,2,0,0,0,0|1,1,0]=4 5380 B11R1.29 C[C@@H](OCCO)c1cccs1 7a_100000750433_100000211926 [0,2,0,0,0,0|1,1,0]=4 5381 B11R1.29 C[C@H](OCC#N)c1ccco1 7a_100000755270_100011215382 [0,2,0,0,0,0|1,0,1]=4 5382 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [0,2,0,0,0,0|1,0,1]=4 5383 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [0,2,0,0,0,0|1,0,1]=4 5384 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [0,2,0,0,0,0|1,0,0]=3 5385 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [0,2,0,0,0,0|1,0,0]=3 5386 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [0,2,0,0,0,0|1,0,0]=3 5387 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [0,2,0,0,0,0|1,0,0]=3 5388 B11R1.29 NC(COCF)c1cccs1 34a_100102422791_100015361967 [0,2,0,0,0,0|1,1,0]=4 5389 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,2,0,0,0,0|1,0,1]=4 5390 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,2,0,0,0,0|1,0,1]=4 5391 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,2,0,0,0,0|0,1,1]=4 5392 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,2,0,0,0,0|0,1,1]=4 5393 B11R1.31 CC(c1ccco1)N(C)CF 269982a_100000232712_100015361967 [0,2,0,0,0,0|2,0,0]=4 5394 B11R1.31 CCN(C)C(C)c1ccco1 2230a_100000232712_100000210202 [0,2,0,0,0,0|1,0,0]=3 5395 B11R1.31 CCN(C)C(C)c1ccco1 269982a_100000232712_100000204670 [0,2,0,0,0,0|1,0,0]=3 5396 B11R1.31 CCN(C)C(C)c1cccs1 2230a_100000186410_100000210202 [0,2,0,0,0,0|1,1,0]=4 5397 B11R1.31 CCN(C)C(C)c1cccs1 269982a_100000186410_100000204670 [0,2,0,0,0,0|1,1,0]=4 5398 B11R1.33 CCNC(C)(C)c1cccs1 2230a_100000757009_100000210202 [0,2,0,0,0,0|1,1,0]=4 5399 B11R1.33 CCNS(=O)(=O)c1ccco1 270084a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 5400 B11R1.33 CCNS(=O)(=O)c1ccco1 274078a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 5401 B11R1.33 CCOC(C)(C)c1cccs1 7a_100011410533_100000210202 [0,2,0,0,0,0|1,1,0]=4 5402 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,2,0,0,0,0|0,0,2]=4 5403 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 5404 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 5405 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 5406 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,2,0,0,0,0|1,0,1]=4 5407 B11R1.77 CC(C)C[C@H](N)c1c[nH]cn1 271570a_100015190218_100000756875 [0,2,0,0,0,0|2,0,0]=4 5408 B11R1.77 CC(C)C[C@H](N)c1cc[nH]n1 271570a_100015190218_100000062575 [0,2,0,0,0,0|2,0,0]=4 5409 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,2,0,0,0,0|0,0,0]=2 5410 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,2,0,0,0,0|0,1,0]=3 5411 B11R1.77 CC(C)C[C@H](N)c1ccoc1 271570a_100015190218_100011215275 [0,2,0,0,0,0|2,0,0]=4 5412 B11R1.77 CC(C)C[C@H](N)c1ccsc1 271570a_100015190218_100000738268 [0,2,0,0,0,0|2,0,0]=4 5413 B11R1.77 CC(C)C[C@H](N)c1ccsn1 271570a_100015190218_100009818082 [0,2,0,0,0,0|2,0,0]=4 5414 B11R1.77 CC(C)C[C@H](N)c1cnco1 271570a_100015190218_100020591547 [0,2,0,0,0,0|1,0,0]=3 5415 B11R1.77 CC(C)C[C@H](N)c1cncs1 271570a_100015190218_100011934649 [0,2,0,0,0,0|1,1,0]=4 5416 B11R1.77 CC(C)C[C@H](N)c1cscn1 271570a_100015190218_100000751502 [0,2,0,0,0,0|2,0,0]=4 5417 B11R1.77 CC(C)C[C@H](N)c1ncc[nH]1 271570a_100015190218_100025796157 [0,2,0,0,0,0|2,0,0]=4 5418 B11R1.77 CC(C)C[C@H](N)c1ncco1 271570a_100015190218_100011787736 [0,2,0,0,0,0|1,0,0]=3 5419 B11R1.77 CC(C)C[C@H](N)c1nccs1 271570a_100015190218_100000211983 [0,2,0,0,0,0|1,1,0]=4 5420 B11R1.77 CC(C)NC(C)c1cccs1 2230a_100000703493_100000210206 [0,2,0,0,0,0|1,1,0]=4 5421 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,2,0,0,0,0|1,0,0]=3 5422 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,2,0,0,0,0|1,0,0]=3 5423 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,2,0,0,0,0|1,0,0]=3 5424 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,2,0,0,0,0|1,1,0]=4 5425 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,2,0,0,0,0|1,0,1]=4 5426 B11R1.199 CCNC(C)c1cccn1C 269862a_100015525214_100000709046 [0,2,0,0,0,0|2,0,0]=4 5427 B11R1.199 CCNC(C)c1sccc1Br 269862a_100015525214_100000738688 [0,2,0,0,0,0|1,1,0]=4 5428 B11R1.27 BrCCOCc1cc(cs1)Br 34a_100000211926_100000746031 [0,2,0,0,0,0|1,1,0]=4 5429 B11R1.27 BrCCOCc1ccc(s1)Br 34a_100000211926_100000708592 [0,2,0,0,0,0|1,1,0]=4 5430 B11R1.27 C#CCNCc1ccc(o1)Br 34a_100000708654_100000184674 [0,2,0,0,0,0|0,0,2]=4 5431 B11R1.27 C#CCNCc1ccc(o1)C 34a_100011194323_100000184674 [0,2,0,0,0,0|0,0,2]=4 5432 B11R1.27 C#CCOCc1ccc(o1)Br 34a_100000246276_100000184674 [0,2,0,0,0,0|0,0,2]=4 5433 B11R1.27 C#CCOCc1ccc(o1)Br 7a_100000246276_100000038162 [0,2,0,0,0,0|0,0,2]=4 5434 B11R1.27 C#CCOCc1ccc(o1)C 34a_100011232665_100000184674 [0,2,0,0,0,0|0,0,2]=4 5435 B11R1.27 C#CCOCc1ccc(o1)C 7a_100011232665_100000038162 [0,2,0,0,0,0|0,0,2]=4 5436 B11R1.27 C=CCNCc1cc(co1)Br 270004a_100020586998_100000747035 [0,2,0,0,0,0|0,0,2]=4 5437 B11R1.27 C=CCNCc1ccc(o1)Br 270004a_100020586998_100000185145 [0,2,0,0,0,0|0,0,2]=4 5438 B11R1.27 C=CCNCc1ccc(o1)Br 34a_100000708654_100015514636 [0,2,0,0,0,0|0,0,2]=4 5439 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [0,2,0,0,0,0|0,0,2]=4 5440 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [0,2,0,0,0,0|0,0,2]=4 5441 B11R1.27 C=CCNCc1ccc(o1)Cl 270004a_100020586998_100000188459 [0,2,0,0,0,0|0,0,2]=4 5442 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [0,2,0,0,0,0|0,0,2]=4 5443 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [0,2,0,0,0,0|0,0,2]=4 5444 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [0,2,0,0,0,0|0,0,2]=4 5445 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [0,2,0,0,0,0|0,0,2]=4 5446 B11R1.27 CCCC=Cc1cc(cs1)C 271570a_100016258520_100009876951 [0,2,0,0,0,0|0,1,1]=4 5447 B11R1.27 CCCC=Cc1ccc(s1)Br 271570a_100016258520_100010197418 [0,2,0,0,0,0|0,1,1]=4 5448 B11R1.27 CCCC=Cc1ccc(s1)C 271570a_100016258520_100000761539 [0,2,0,0,0,0|0,1,1]=4 5449 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,2,0,0,0,0|2,0,0]=4 5450 B11R1.27 CCCCNc1nnc(o1)C 27a_100000102301_100000708914 [0,2,0,0,0,0|2,0,0]=4 5451 B11R1.27 CCCCOc1ccn(n1)C 34a_100012642153_100000210210 [0,2,0,0,0,0|2,0,0]=4 5452 B11R1.27 CCCCSc1c[nH]c(n1)C 62a_100000210211_100009814057 [0,2,0,0,0,0|2,0,0]=4 5453 B11R1.27 CCCCSc1c[nH]c(n1)C 62a_100009814057_100000210210 [0,2,0,0,0,0|2,0,0]=4 5454 B11R1.27 CCCCSc1cc([nH]n1)C 62a_100000210211_100009819999 [0,2,0,0,0,0|2,0,0]=4 5455 B11R1.27 CCCCSc1cc([nH]n1)C 62a_100009819999_100000210210 [0,2,0,0,0,0|2,0,0]=4 5456 B11R1.27 CCCCSc1cc([nH]n1)N 62a_100000210211_100009822546 [0,2,0,0,0,0|2,0,0]=4 5457 B11R1.27 CCCCSc1cc([nH]n1)N 62a_100009822546_100000210210 [0,2,0,0,0,0|2,0,0]=4 5458 B11R1.27 CCCCSc1cc(cs1)C 62a_100000210211_100009876951 [0,2,0,0,0,0|0,1,0]=3 5459 B11R1.27 CCCCSc1cc(cs1)C 62a_100009876951_100000210210 [0,2,0,0,0,0|0,1,0]=3 5460 B11R1.27 CCCCSc1cc(n[nH]1)Br 62a_100000210211_100160470719 [0,2,0,0,0,0|2,0,0]=4 5461 B11R1.27 CCCCSc1cc(n[nH]1)Br 62a_100160470719_100000210210 [0,2,0,0,0,0|2,0,0]=4 5462 B11R1.27 CCCCSc1cc(ns1)C 62a_100000210211_100009815735 [0,2,0,0,0,0|1,1,0]=4 5463 B11R1.27 CCCCSc1cc(ns1)C 62a_100009815735_100000210210 [0,2,0,0,0,0|1,1,0]=4 5464 B11R1.27 CCCCSc1cc(on1)C 62a_100000210211_100000716708 [0,2,0,0,0,0|2,0,0]=4 5465 B11R1.27 CCCCSc1cc(on1)C 62a_100000716708_100000210210 [0,2,0,0,0,0|2,0,0]=4 5466 B11R1.27 CCCCSc1ccc(s1)Br 62a_100000210211_100010197418 [0,2,0,0,0,0|0,1,0]=3 5467 B11R1.27 CCCCSc1ccc(s1)Br 62a_100010197418_100000210210 [0,2,0,0,0,0|0,1,0]=3 5468 B11R1.27 CCCCSc1ccc(s1)C 62a_100000031368_100000210210 [0,2,0,0,0,0|0,1,0]=3 5469 B11R1.27 CCCCSc1ccc(s1)C 62a_100000210211_100000031368 [0,2,0,0,0,0|0,1,0]=3 5470 B11R1.27 CCCCSc1ccn(n1)C 62a_100000210211_100000752436 [0,2,0,0,0,0|2,0,0]=4 5471 B11R1.27 CCCCSc1ccn(n1)C 62a_100000752436_100000210210 [0,2,0,0,0,0|2,0,0]=4 5472 B11R1.27 CCCCSc1cn(cn1)C 62a_100000040308_100000210210 [0,2,0,0,0,0|2,0,0]=4 5473 B11R1.27 CCCCSc1cn(cn1)C 62a_100000210211_100000040308 [0,2,0,0,0,0|2,0,0]=4 5474 B11R1.27 CCCCSc1cnc(s1)Br 62a_100000210211_100012357534 [0,2,0,0,0,0|1,1,0]=4 5475 B11R1.27 CCCCSc1cnc(s1)Br 62a_100012357534_100000210210 [0,2,0,0,0,0|1,1,0]=4 5476 B11R1.27 CCCCSc1cnc(s1)C 62a_100000210211_100000764884 [0,2,0,0,0,0|1,1,0]=4 5477 B11R1.27 CCCCSc1cnc(s1)C 62a_100000764884_100000210210 [0,2,0,0,0,0|1,1,0]=4 5478 B11R1.27 CCCCSc1cnc(s1)N 62a_100000210211_100000718969 [0,2,0,0,0,0|1,1,0]=4 5479 B11R1.27 CCCCSc1cnc(s1)N 62a_100000718969_100000210210 [0,2,0,0,0,0|1,1,0]=4 5480 B11R1.27 CCCCSc1csc(c1)C 62a_100000210211_100000759034 [0,2,0,0,0,0|2,0,0]=4 5481 B11R1.27 CCCCSc1csc(c1)C 62a_100000759034_100000210210 [0,2,0,0,0,0|2,0,0]=4 5482 B11R1.27 CCCCSc1csc(n1)C 62a_100000210211_100011934587 [0,2,0,0,0,0|2,0,0]=4 5483 B11R1.27 CCCCSc1csc(n1)C 62a_100011934587_100000210210 [0,2,0,0,0,0|2,0,0]=4 5484 B11R1.27 CCCCSc1csc(n1)N 62a_100000210211_100011998049 [0,2,0,0,0,0|2,0,0]=4 5485 B11R1.27 CCCCSc1csc(n1)N 62a_100011998049_100000210210 [0,2,0,0,0,0|2,0,0]=4 5486 B11R1.27 CCCCSc1nc(c[nH]1)C 62a_100000210211_100161115468 [0,2,0,0,0,0|2,0,0]=4 5487 B11R1.27 CCCCSc1nc(c[nH]1)C 62a_100161115468_100000210210 [0,2,0,0,0,0|2,0,0]=4 5488 B11R1.27 CCCCSc1nc(cs1)Br 62a_100000210211_200016082925 [0,2,0,0,0,0|1,1,0]=4 5489 B11R1.27 CCCCSc1nc(cs1)Br 62a_200016082925_100000210210 [0,2,0,0,0,0|1,1,0]=4 5490 B11R1.27 CCCCSc1nc(cs1)C 62a_100000210211_100011291629 [0,2,0,0,0,0|1,1,0]=4 5491 B11R1.27 CCCCSc1nc(cs1)C 62a_100011291629_100000210210 [0,2,0,0,0,0|1,1,0]=4 5492 B11R1.27 CCCCSc1nc(cs1)N 62a_100000210211_200015188442 [0,2,0,0,0,0|1,1,0]=4 5493 B11R1.27 CCCCSc1nc(cs1)N 62a_200015188442_100000210210 [0,2,0,0,0,0|1,1,0]=4 5494 B11R1.27 CCCCSc1ncc(s1)C 62a_100000210211_100000690809 [0,2,0,0,0,0|1,1,0]=4 5495 B11R1.27 CCCCSc1ncc(s1)C 62a_100000690809_100000210210 [0,2,0,0,0,0|1,1,0]=4 5496 B11R1.27 CCCCSc1nnc(o1)C 62a_100000210211_100000708914 [0,2,0,0,0,0|2,0,0]=4 5497 B11R1.27 CCCNCc1c[nH]c(n1)C 207a_100020643023_100011219055 [0,2,0,0,0,0|2,0,0]=4 5498 B11R1.27 CCCNCc1cc(c[nH]1)Br 270004a_100020643023_100000720742 [0,2,0,0,0,0|1,0,0]=3 5499 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [0,2,0,0,0,0|0,0,0]=2 5500 B11R1.27 CCCNCc1cc(cs1)Br 207a_100020643023_100000211722 [0,2,0,0,0,0|0,1,0]=3 5501 B11R1.27 CCCNCc1cc(cs1)Br 2230a_100000741024_100000210303 [0,2,0,0,0,0|0,1,0]=3 5502 B11R1.27 CCCNCc1cc(cs1)Br 270004a_100020643023_100000211722 [0,2,0,0,0,0|0,1,0]=3 5503 B11R1.27 CCCNCc1cc(cs1)Br 34a_100000741024_100000210303 [0,2,0,0,0,0|0,1,0]=3 5504 B11R1.27 CCCNCc1cc(cs1)C 207a_100020643023_100102525248 [0,2,0,0,0,0|0,1,0]=3 5505 B11R1.27 CCCNCc1cc(cs1)C 2230a_100015204214_100000210303 [0,2,0,0,0,0|0,1,0]=3 5506 B11R1.27 CCCNCc1cc(cs1)C 270004a_100020643023_100102525248 [0,2,0,0,0,0|0,1,0]=3 5507 B11R1.27 CCCNCc1cc(cs1)C 34a_100015204214_100000210303 [0,2,0,0,0,0|0,1,0]=3 5508 B11R1.27 CCCNCc1cc(cs1)Cl 207a_100020643023_100000102487 [0,2,0,0,0,0|0,1,0]=3 5509 B11R1.27 CCCNCc1cc(cs1)Cl 270004a_100020643023_100000102487 [0,2,0,0,0,0|0,1,0]=3 5510 B11R1.27 CCCNCc1cc(cs1)I 207a_100020643023_100010179861 [0,2,0,0,0,0|0,1,0]=3 5511 B11R1.27 CCCNCc1cc(n[nH]1)C 207a_100020643023_100000028150 [0,2,0,0,0,0|2,0,0]=4 5512 B11R1.27 CCCNCc1cc(n[nH]1)C 270004a_100020643023_100000028150 [0,2,0,0,0,0|2,0,0]=4 5513 B11R1.27 CCCNCc1cc(no1)Br 2230a_100015193020_100000210303 [0,2,0,0,0,0|1,0,0]=3 5514 B11R1.27 CCCNCc1cc(no1)Br 270004a_100020643023_100009819588 [0,2,0,0,0,0|1,0,0]=3 5515 B11R1.27 CCCNCc1cc(no1)Br 34a_100015193020_100000210303 [0,2,0,0,0,0|1,0,0]=3 5516 B11R1.27 CCCNCc1cc(no1)C 207a_100020643023_100011794430 [0,2,0,0,0,0|1,0,0]=3 5517 B11R1.27 CCCNCc1cc(no1)C 2230a_100000745748_100000210303 [0,2,0,0,0,0|1,0,0]=3 5518 B11R1.27 CCCNCc1cc(no1)C 270004a_100020643023_100011794430 [0,2,0,0,0,0|1,0,0]=3 5519 B11R1.27 CCCNCc1cc(no1)C 34a_100000745748_100000210303 [0,2,0,0,0,0|1,0,0]=3 5520 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [0,2,0,0,0,0|2,0,0]=4 5521 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [0,2,0,0,0,0|2,0,0]=4 5522 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [0,2,0,0,0,0|2,0,0]=4 5523 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [0,2,0,0,0,0|2,0,0]=4 5524 B11R1.27 CCCNCc1cc(sn1)C 207a_100020643023_200000100279 [0,2,0,0,0,0|2,0,0]=4 5525 B11R1.27 CCCNCc1cc(sn1)C 270004a_100020643023_200000100279 [0,2,0,0,0,0|2,0,0]=4 5526 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [0,2,0,0,0,0|0,0,0]=2 5527 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [0,2,0,0,0,0|0,0,0]=2 5528 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [0,2,0,0,0,0|0,0,0]=2 5529 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,2,0,0,0,0|0,0,0]=2 5530 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,2,0,0,0,0|0,0,0]=2 5531 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,2,0,0,0,0|0,0,0]=2 5532 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [0,2,0,0,0,0|0,0,0]=2 5533 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [0,2,0,0,0,0|0,0,0]=2 5534 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [0,2,0,0,0,0|0,0,0]=2 5535 B11R1.27 CCCNCc1ccc(s1)Br 207a_100020643023_100000179771 [0,2,0,0,0,0|0,1,0]=3 5536 B11R1.27 CCCNCc1ccc(s1)Br 270004a_100020643023_100000179771 [0,2,0,0,0,0|0,1,0]=3 5537 B11R1.27 CCCNCc1ccc(s1)C 207a_100020643023_100000211121 [0,2,0,0,0,0|0,1,0]=3 5538 B11R1.27 CCCNCc1ccc(s1)C 2230a_100000238518_100000210303 [0,2,0,0,0,0|0,1,0]=3 5539 B11R1.27 CCCNCc1ccc(s1)C 270004a_100020643023_100000211121 [0,2,0,0,0,0|0,1,0]=3 5540 B11R1.27 CCCNCc1ccc(s1)Cl 207a_100020643023_100000242774 [0,2,0,0,0,0|0,1,0]=3 5541 B11R1.27 CCCNCc1ccc(s1)Cl 2230a_100000737310_100000210303 [0,2,0,0,0,0|0,1,0]=3 5542 B11R1.27 CCCNCc1ccc(s1)Cl 270004a_100020643023_100000242774 [0,2,0,0,0,0|0,1,0]=3 5543 B11R1.27 CCCNCc1ccn(n1)C 207a_100020643023_100000750880 [0,2,0,0,0,0|2,0,0]=4 5544 B11R1.27 CCCNCc1ccn(n1)C 2230a_100020636201_100000210303 [0,2,0,0,0,0|2,0,0]=4 5545 B11R1.27 CCCNCc1ccn(n1)C 270004a_100020643023_100000750880 [0,2,0,0,0,0|2,0,0]=4 5546 B11R1.27 CCCNCc1ccn(n1)C 34a_100020636201_100000210303 [0,2,0,0,0,0|2,0,0]=4 5547 B11R1.27 CCCNCc1cn(cn1)C 207a_100020643023_100000684808 [0,2,0,0,0,0|2,0,0]=4 5548 B11R1.27 CCCNCc1cn(cn1)C 270004a_100020643023_100000684808 [0,2,0,0,0,0|2,0,0]=4 5549 B11R1.27 CCCNCc1cnc(o1)C 207a_100020643023_100000084308 [0,2,0,0,0,0|1,0,0]=3 5550 B11R1.27 CCCNCc1cnc(o1)C 270004a_100020643023_100000084308 [0,2,0,0,0,0|1,0,0]=3 5551 B11R1.27 CCCNCc1cnc(s1)Br 2230a_100000726991_100000210303 [0,2,0,0,0,0|1,1,0]=4 5552 B11R1.27 CCCNCc1cnc(s1)Br 270004a_100020643023_100009814069 [0,2,0,0,0,0|1,1,0]=4 5553 B11R1.27 CCCNCc1cnc(s1)C 207a_100020643023_100000740557 [0,2,0,0,0,0|1,1,0]=4 5554 B11R1.27 CCCNCc1cnc(s1)C 2230a_200000743601_100000210303 [0,2,0,0,0,0|1,1,0]=4 5555 B11R1.27 CCCNCc1cnc(s1)C 270004a_100020643023_100000740557 [0,2,0,0,0,0|1,1,0]=4 5556 B11R1.27 CCCNCc1cnc(s1)Cl 2230a_100000726635_100000210303 [0,2,0,0,0,0|1,1,0]=4 5557 B11R1.27 CCCNCc1cnc(s1)Cl 270004a_100020643023_100000696999 [0,2,0,0,0,0|1,1,0]=4 5558 B11R1.27 CCCNCc1coc(n1)C 207a_100020643023_100011361629 [0,2,0,0,0,0|2,0,0]=4 5559 B11R1.27 CCCNCc1coc(n1)C 270004a_100020643023_100011361629 [0,2,0,0,0,0|2,0,0]=4 5560 B11R1.27 CCCNCc1csc(c1)Br 207a_100020643023_100000737087 [0,2,0,0,0,0|2,0,0]=4 5561 B11R1.27 CCCNCc1csc(c1)Br 270004a_100020643023_100000737087 [0,2,0,0,0,0|2,0,0]=4 5562 B11R1.27 CCCNCc1csc(c1)C 207a_100020643023_100011998532 [0,2,0,0,0,0|2,0,0]=4 5563 B11R1.27 CCCNCc1csc(c1)C 270004a_100020643023_100011998532 [0,2,0,0,0,0|2,0,0]=4 5564 B11R1.27 CCCNCc1csc(c1)Cl 207a_100020643023_100009844934 [0,2,0,0,0,0|2,0,0]=4 5565 B11R1.27 CCCNCc1csc(c1)Cl 270004a_100020643023_100009844934 [0,2,0,0,0,0|2,0,0]=4 5566 B11R1.27 CCCNCc1csc(n1)Br 270004a_100020643023_100009816748 [0,2,0,0,0,0|2,0,0]=4 5567 B11R1.27 CCCNCc1csc(n1)C 207a_100020643023_100000203724 [0,2,0,0,0,0|2,0,0]=4 5568 B11R1.27 CCCNCc1csc(n1)C 270004a_100020643023_100000203724 [0,2,0,0,0,0|2,0,0]=4 5569 B11R1.27 CCCNCc1csc(n1)C 34a_100000707933_100000210303 [0,2,0,0,0,0|2,0,0]=4 5570 B11R1.27 CCCNCc1csc(n1)Cl 270004a_100020643023_100011935135 [0,2,0,0,0,0|2,0,0]=4 5571 B11R1.27 CCCNCc1nc(c[nH]1)C 207a_100020643023_100000082322 [0,2,0,0,0,0|2,0,0]=4 5572 B11R1.27 CCCNCc1nc(c[nH]1)C 270004a_100020643023_100000082322 [0,2,0,0,0,0|2,0,0]=4 5573 B11R1.27 CCCNCc1nc(cs1)Br 270004a_100020643023_100009816814 [0,2,0,0,0,0|1,1,0]=4 5574 B11R1.27 CCCNCc1nc(cs1)C 207a_100020643023_100000756994 [0,2,0,0,0,0|1,1,0]=4 5575 B11R1.27 CCCNCc1nc(cs1)C 2230a_100015183719_100000210303 [0,2,0,0,0,0|1,1,0]=4 5576 B11R1.27 CCCNCc1nc(cs1)C 270004a_100020643023_100000756994 [0,2,0,0,0,0|1,1,0]=4 5577 B11R1.27 CCCNCc1ncc(o1)C 2230a_100138411809_100000210303 [0,2,0,0,0,0|1,0,0]=3 5578 B11R1.27 CCCNCc1ncc(o1)C 34a_100138411809_100000210303 [0,2,0,0,0,0|1,0,0]=3 5579 B11R1.27 CCCNCc1ncc(s1)Br 270004a_100020643023_100000699580 [0,2,0,0,0,0|1,1,0]=4 5580 B11R1.27 CCCNCc1ncc(s1)C 207a_100020643023_100011361622 [0,2,0,0,0,0|1,1,0]=4 5581 B11R1.27 CCCNCc1ncc(s1)C 270004a_100020643023_100011361622 [0,2,0,0,0,0|1,1,0]=4 5582 B11R1.27 CCCNCc1ncc(s1)Cl 270004a_100020643023_100000699884 [0,2,0,0,0,0|1,1,0]=4 5583 B11R1.27 CCCNCc1nnc(o1)C 2230a_200000236979_100000210303 [0,2,0,0,0,0|2,0,0]=4 5584 B11R1.27 CCCNCc1nnc(o1)C 34a_200000236979_100000210303 [0,2,0,0,0,0|2,0,0]=4 5585 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,2,0,0,0,0|2,0,0]=4 5586 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000210258_100000746031 [0,2,0,0,0,0|0,1,0]=3 5587 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000238369_100000210303 [0,2,0,0,0,0|0,1,0]=3 5588 B11R1.27 CCCOCc1cc(cs1)Br 7a_100000238369_100000210303 [0,2,0,0,0,0|0,1,0]=3 5589 B11R1.27 CCCOCc1cc(cs1)C 34a_200000068372_100000210303 [0,2,0,0,0,0|0,1,0]=3 5590 B11R1.27 CCCOCc1cc(cs1)C 7a_200000068372_100000210303 [0,2,0,0,0,0|0,1,0]=3 5591 B11R1.27 CCCOCc1cc(no1)Br 34a_100009816691_100000210303 [0,2,0,0,0,0|1,0,0]=3 5592 B11R1.27 CCCOCc1cc(no1)C 34a_100000210258_100000707947 [0,2,0,0,0,0|1,0,0]=3 5593 B11R1.27 CCCOCc1cc(no1)C 34a_100000684692_100000210303 [0,2,0,0,0,0|1,0,0]=3 5594 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [0,2,0,0,0,0|2,0,0]=4 5595 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [0,2,0,0,0,0|2,0,0]=4 5596 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [0,2,0,0,0,0|0,0,0]=2 5597 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [0,2,0,0,0,0|0,0,0]=2 5598 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,2,0,0,0,0|0,0,0]=2 5599 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,2,0,0,0,0|0,0,0]=2 5600 B11R1.27 CCCOCc1ccc(s1)Br 34a_100000210258_100000708592 [0,2,0,0,0,0|0,1,0]=3 5601 B11R1.27 CCCOCc1ccc(s1)C 34a_100000238367_100000210303 [0,2,0,0,0,0|0,1,0]=3 5602 B11R1.27 CCCOCc1ccc(s1)Cl 34a_100000210258_100000185097 [0,2,0,0,0,0|0,1,0]=3 5603 B11R1.27 CCCOCc1ccn(n1)C 34a_100000210258_100000726502 [0,2,0,0,0,0|2,0,0]=4 5604 B11R1.27 CCCOCc1ccn(n1)C 34a_100000744484_100000210303 [0,2,0,0,0,0|2,0,0]=4 5605 B11R1.27 CCCOCc1cn(cn1)C 34a_100000210258_100000717665 [0,2,0,0,0,0|2,0,0]=4 5606 B11R1.27 CCCOCc1cn(cn1)C 34a_100000710007_100000210303 [0,2,0,0,0,0|2,0,0]=4 5607 B11R1.27 CCCOCc1cnc(s1)Br 34a_100000210258_100000717027 [0,2,0,0,0,0|1,1,0]=4 5608 B11R1.27 CCCOCc1cnc(s1)Br 7a_100009816753_100000210303 [0,2,0,0,0,0|1,1,0]=4 5609 B11R1.27 CCCOCc1cnc(s1)C 34a_100000210258_100020635045 [0,2,0,0,0,0|1,1,0]=4 5610 B11R1.27 CCCOCc1cnc(s1)C 7a_100000743366_100000210303 [0,2,0,0,0,0|1,1,0]=4 5611 B11R1.27 CCCOCc1cnc(s1)Cl 34a_100000210258_100000058068 [0,2,0,0,0,0|1,1,0]=4 5612 B11R1.27 CCCOCc1cnc(s1)Cl 7a_100000697714_100000210303 [0,2,0,0,0,0|1,1,0]=4 5613 B11R1.27 CCCOCc1cnc(s1)N 7a_100011997359_100000210303 [0,2,0,0,0,0|1,1,0]=4 5614 B11R1.27 CCCOCc1coc(n1)C 34a_100012017233_100000210303 [0,2,0,0,0,0|2,0,0]=4 5615 B11R1.27 CCCOCc1csc(c1)Cl 34a_100009863405_100000210303 [0,2,0,0,0,0|2,0,0]=4 5616 B11R1.27 CCCOCc1csc(c1)Cl 7a_100009863405_100000210303 [0,2,0,0,0,0|2,0,0]=4 5617 B11R1.27 CCCOCc1csc(n1)C 34a_100000210258_100015186478 [0,2,0,0,0,0|2,0,0]=4 5618 B11R1.27 CCCOCc1csc(n1)C 34a_100000735831_100000210303 [0,2,0,0,0,0|2,0,0]=4 5619 B11R1.27 CCCOCc1csc(n1)Cl 34a_100000210258_100000024076 [0,2,0,0,0,0|2,0,0]=4 5620 B11R1.27 CCCOCc1nc(cs1)Br 7a_100012000107_100000210303 [0,2,0,0,0,0|1,1,0]=4 5621 B11R1.27 CCCOCc1nc(no1)C 270196a_100000212224_100000745993 [0,2,0,0,0,0|2,0,0]=4 5622 B11R1.27 CCCOCc1nc(no1)C 34a_100000210258_100000735555 [0,2,0,0,0,0|2,0,0]=4 5623 B11R1.27 CCCOCc1nc(no1)C 34a_100000749583_100000210303 [0,2,0,0,0,0|2,0,0]=4 5624 B11R1.27 CCCOCc1nnc(o1)C 34a_100000749586_100000210303 [0,2,0,0,0,0|2,0,0]=4 5625 B11R1.27 CCCOCn1cc(cn1)Cl 34a_100000732729_100000210303 [0,2,0,0,0,0|2,0,0]=4 5626 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,2,0,0,0,0|2,0,0]=4 5627 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,2,0,0,0,0|2,0,0]=4 5628 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000210303_100000746031 [0,2,0,0,0,0|0,1,0]=3 5629 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000746031_100000210303 [0,2,0,0,0,0|0,1,0]=3 5630 B11R1.27 CCCSCc1cc(no1)Br 62a_100000210303_100000709089 [0,2,0,0,0,0|1,0,0]=3 5631 B11R1.27 CCCSCc1cc(no1)Br 62a_100000709089_100000210303 [0,2,0,0,0,0|1,0,0]=3 5632 B11R1.27 CCCSCc1cc(no1)C 62a_100000210303_100000707947 [0,2,0,0,0,0|1,0,0]=3 5633 B11R1.27 CCCSCc1cc(no1)C 62a_100000707947_100000210303 [0,2,0,0,0,0|1,0,0]=3 5634 B11R1.27 CCCSCc1cc(on1)C 62a_100000199038_100000210303 [0,2,0,0,0,0|2,0,0]=4 5635 B11R1.27 CCCSCc1cc(on1)C 62a_100000210303_100000199038 [0,2,0,0,0,0|2,0,0]=4 5636 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000210303_100000708592 [0,2,0,0,0,0|0,1,0]=3 5637 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000708592_100000210303 [0,2,0,0,0,0|0,1,0]=3 5638 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000185097_100000210303 [0,2,0,0,0,0|0,1,0]=3 5639 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000210303_100000185097 [0,2,0,0,0,0|0,1,0]=3 5640 B11R1.27 CCCSCc1ccn(n1)C 62a_100000210303_100000726502 [0,2,0,0,0,0|2,0,0]=4 5641 B11R1.27 CCCSCc1ccn(n1)C 62a_100000726502_100000210303 [0,2,0,0,0,0|2,0,0]=4 5642 B11R1.27 CCCSCc1cn(cn1)C 62a_100000210303_100000717665 [0,2,0,0,0,0|2,0,0]=4 5643 B11R1.27 CCCSCc1cn(cn1)C 62a_100000717665_100000210303 [0,2,0,0,0,0|2,0,0]=4 5644 B11R1.27 CCCSCc1cnc(s1)Br 62a_100000210303_100000717027 [0,2,0,0,0,0|1,1,0]=4 5645 B11R1.27 CCCSCc1cnc(s1)Br 62a_100000717027_100000210303 [0,2,0,0,0,0|1,1,0]=4 5646 B11R1.27 CCCSCc1cnc(s1)C 62a_100000210303_100020635045 [0,2,0,0,0,0|1,1,0]=4 5647 B11R1.27 CCCSCc1cnc(s1)C 62a_100020635045_100000210303 [0,2,0,0,0,0|1,1,0]=4 5648 B11R1.27 CCCSCc1cnc(s1)Cl 62a_100000058068_100000210303 [0,2,0,0,0,0|1,1,0]=4 5649 B11R1.27 CCCSCc1cnc(s1)Cl 62a_100000210303_100000058068 [0,2,0,0,0,0|1,1,0]=4 5650 B11R1.27 CCCSCc1csc(n1)C 62a_100000210303_100015186478 [0,2,0,0,0,0|2,0,0]=4 5651 B11R1.27 CCCSCc1csc(n1)C 62a_100015186478_100000210303 [0,2,0,0,0,0|2,0,0]=4 5652 B11R1.27 CCCSCc1csc(n1)Cl 62a_100000024076_100000210303 [0,2,0,0,0,0|2,0,0]=4 5653 B11R1.27 CCCSCc1csc(n1)Cl 62a_100000210303_100000024076 [0,2,0,0,0,0|2,0,0]=4 5654 B11R1.27 CCCSCc1nc(no1)C 270196a_100000212224_100000217233 [0,2,0,0,0,0|2,0,0]=4 5655 B11R1.27 CCCSCc1nc(no1)C 62a_100000210303_100000735555 [0,2,0,0,0,0|2,0,0]=4 5656 B11R1.27 CCCSCc1nc(no1)C 62a_100000735555_100000210303 [0,2,0,0,0,0|2,0,0]=4 5657 B11R1.27 CCCSCc1nnc(o1)C 62a_100000181450_100000210303 [0,2,0,0,0,0|2,0,0]=4 5658 B11R1.27 CCCSCc1nnc(o1)C 62a_100000210303_100000181450 [0,2,0,0,0,0|2,0,0]=4 5659 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,2,0,0,0,0|0,0,0]=2 5660 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,2,0,0,0,0|0,0,0]=2 5661 B11R1.27 CCNCCc1ccc(s1)Br 2230a_100000217605_100000210202 [0,2,0,0,0,0|0,1,0]=3 5662 B11R1.27 CCNCCc1csc(n1)C 2230a_100015525214_100000695623 [0,2,0,0,0,0|2,0,0]=4 5663 B11R1.27 CCNCCc1csc(n1)C 2230a_102495365028_100000210202 [0,2,0,0,0,0|2,0,0]=4 5664 B11R1.27 CCNCCc1csc(n1)C 34a_102495365028_100000210202 [0,2,0,0,0,0|2,0,0]=4 5665 B11R1.27 CCNCCc1nc(cs1)C 2230a_100000736835_100000210202 [0,2,0,0,0,0|1,1,0]=4 5666 B11R1.27 CCNCCc1nc(no1)C 34a_100000747544_100000210202 [0,2,0,0,0,0|2,0,0]=4 5667 B11R1.27 CCNCCn1cc(cn1)Br 2230a_100000730845_100000210202 [0,2,0,0,0,0|2,0,0]=4 5668 B11R1.27 CCNCCn1cc(cn1)Br 34a_100000730845_100000210202 [0,2,0,0,0,0|2,0,0]=4 5669 B11R1.27 CCNCCn1cc(cn1)Cl 2230a_100015525214_100011353933 [0,2,0,0,0,0|2,0,0]=4 5670 B11R1.27 CCNCCn1cc(cn1)Cl 34a_200000238484_100000210202 [0,2,0,0,0,0|2,0,0]=4 5671 B11R1.27 CCNCCn1ccc(n1)C 2230a_100015525214_200011934056 [0,2,0,0,0,0|2,0,0]=4 5672 B11R1.27 CCNN=Cc1cc(co1)Br 4a_100000756455_100000747035 [0,2,0,0,0,0|1,0,1]=4 5673 B11R1.27 CCNN=Cc1ccc(o1)Br 4a_100000756455_100000185145 [0,2,0,0,0,0|1,0,1]=4 5674 B11R1.27 CCNN=Cc1ccc(o1)C 4a_100000756455_100000183696 [0,2,0,0,0,0|1,0,1]=4 5675 B11R1.27 CCNN=Cc1ccc(o1)Cl 4a_100000756455_100000188459 [0,2,0,0,0,0|1,0,1]=4 5676 B11R1.27 CCNN=Cc1ccc(o1)I 4a_100000756455_100000186757 [0,2,0,0,0,0|1,0,1]=4 5677 B11R1.27 CCOCCc1cc(no1)Br 34a_100009816916_100000210202 [0,2,0,0,0,0|1,0,0]=3 5678 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,2,0,0,0,0|0,0,0]=2 5679 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,2,0,0,0,0|0,0,0]=2 5680 B11R1.27 CCOCCc1cnc(s1)N 7a_100000124125_100000210202 [0,2,0,0,0,0|1,1,0]=4 5681 B11R1.27 CCOCCc1csc(n1)C 34a_100011934828_100000210202 [0,2,0,0,0,0|2,0,0]=4 5682 B11R1.27 CCOCCc1csc(n1)C 34a_100121572206_100000695623 [0,2,0,0,0,0|2,0,0]=4 5683 B11R1.27 CCOCCc1nc(no1)C 270196a_100000212224_100000749530 [0,2,0,0,0,0|2,0,0]=4 5684 B11R1.27 CCOCCn1cc(cn1)Br 34a_100011236722_100000210202 [0,2,0,0,0,0|2,0,0]=4 5685 B11R1.27 CCOCCn1cc(cn1)C 34a_100011363705_100000210202 [0,2,0,0,0,0|2,0,0]=4 5686 B11R1.27 CCOCCn1cc(cn1)Cl 34a_100011398116_100000210202 [0,2,0,0,0,0|2,0,0]=4 5687 B11R1.27 CCOCCn1cc(cn1)I 34a_100012072722_100000210202 [0,2,0,0,0,0|2,0,0]=4 5688 B11R1.27 CCOCCn1cc(cn1)N 34a_100000743930_100000210202 [0,2,0,0,0,0|2,0,0]=4 5689 B11R1.27 CCOCCn1ccc(n1)Br 34a_200010732121_100000210202 [0,2,0,0,0,0|2,0,0]=4 5690 B11R1.27 CCOCCn1ccc(n1)N 34a_100000752724_100000210202 [0,2,0,0,0,0|2,0,0]=4 5691 B11R1.27 CCOCSc1cc(cs1)C 62a_100000739092_100009876951 [0,2,0,0,0,0|1,1,0]=4 5692 B11R1.27 CCOCSc1cc(cs1)C 62a_100009876951_100000739092 [0,2,0,0,0,0|1,1,0]=4 5693 B11R1.27 CCOCSc1ccc(s1)Br 62a_100000739092_100010197418 [0,2,0,0,0,0|1,1,0]=4 5694 B11R1.27 CCOCSc1ccc(s1)Br 62a_100010197418_100000739092 [0,2,0,0,0,0|1,1,0]=4 5695 B11R1.27 CCOCSc1ccc(s1)C 62a_100000031368_100000739092 [0,2,0,0,0,0|1,1,0]=4 5696 B11R1.27 CCOCSc1ccc(s1)C 62a_100000739092_100000031368 [0,2,0,0,0,0|1,1,0]=4 5697 B11R1.27 CCSCCc1csc(n1)C 62a_100000210202_100000695623 [0,2,0,0,0,0|2,0,0]=4 5698 B11R1.27 CCSCCc1csc(n1)C 62a_100000695623_100000210202 [0,2,0,0,0,0|2,0,0]=4 5699 B11R1.27 CCSCCc1nc(no1)C 270196a_100000212224_100000230768 [0,2,0,0,0,0|2,0,0]=4 5700 B11R1.27 CCSCCn1cc(cn1)Cl 62a_100000210202_100011353933 [0,2,0,0,0,0|2,0,0]=4 5701 B11R1.27 CCSCCn1cc(cn1)Cl 62a_100011353933_100000210202 [0,2,0,0,0,0|2,0,0]=4 5702 B11R1.27 CCSCCn1ccc(n1)C 62a_100000210202_200011934056 [0,2,0,0,0,0|2,0,0]=4 5703 B11R1.27 CCSCCn1ccc(n1)C 62a_200011934056_100000210202 [0,2,0,0,0,0|2,0,0]=4 5704 B11R1.27 CNCCCc1nc(cs1)C 2230a_100000749783_200000210301 [0,2,0,0,0,0|1,1,0]=4 5705 B11R1.27 CNCCCc1nc(no1)C 34a_100000750606_200000210301 [0,2,0,0,0,0|2,0,0]=4 5706 B11R1.27 CNCCCn1cc(cn1)C 2230a_100000748464_200000210301 [0,2,0,0,0,0|2,0,0]=4 5707 B11R1.27 CNCCCn1cc(cn1)C 2230a_106832991635_200015186932 [0,2,0,0,0,0|2,0,0]=4 5708 B11R1.27 CNCCCn1cc(cn1)C 34a_100000748464_200000210301 [0,2,0,0,0,0|2,0,0]=4 5709 B11R1.27 CNCCCn1cc(cn1)C 7a_106832991635_200015186932 [0,2,0,0,0,0|2,0,0]=4 5710 B11R1.27 CNCCCn1cc(cn1)Cl 34a_100011353932_200000210301 [0,2,0,0,0,0|2,0,0]=4 5711 B11R1.27 COCCCc1nc(no1)C 270196a_100000212224_100000741012 [0,2,0,0,0,0|2,0,0]=4 5712 B11R1.27 COCCCn1cc(cn1)Br 34a_100011398341_200000210301 [0,2,0,0,0,0|2,0,0]=4 5713 B11R1.27 COCCSc1cc(cs1)C 62a_100000233755_100009876951 [0,2,0,0,0,0|1,1,0]=4 5714 B11R1.27 COCCSc1cc(cs1)C 62a_100009876951_100000233755 [0,2,0,0,0,0|1,1,0]=4 5715 B11R1.27 COCCSc1ccc(s1)Br 62a_100000233755_100010197418 [0,2,0,0,0,0|1,1,0]=4 5716 B11R1.27 COCCSc1ccc(s1)Br 62a_100010197418_100000233755 [0,2,0,0,0,0|1,1,0]=4 5717 B11R1.27 COCCSc1ccc(s1)C 62a_100000031368_100000233755 [0,2,0,0,0,0|1,1,0]=4 5718 B11R1.27 COCCSc1ccc(s1)C 62a_100000233755_100000031368 [0,2,0,0,0,0|1,1,0]=4 5719 B11R1.27 COCNCc1cc(cs1)Br 2230a_100000741024_100000766300 [0,2,0,0,0,0|1,1,0]=4 5720 B11R1.27 COCNCc1cc(cs1)C 2230a_100015204214_100000766300 [0,2,0,0,0,0|1,1,0]=4 5721 B11R1.27 COCNCc1cc(no1)Br 2230a_100015193020_100000766300 [0,2,0,0,0,0|2,0,0]=4 5722 B11R1.27 COCNCc1cc(no1)C 2230a_100000745748_100000766300 [0,2,0,0,0,0|2,0,0]=4 5723 B11R1.27 COCNCc1ccc(s1)C 2230a_100000238518_100000766300 [0,2,0,0,0,0|1,1,0]=4 5724 B11R1.27 COCNCc1ccc(s1)Cl 2230a_100000737310_100000766300 [0,2,0,0,0,0|1,1,0]=4 5725 B11R1.27 COCNCc1ncc(o1)C 2230a_100138411809_100000766300 [0,2,0,0,0,0|2,0,0]=4 5726 B11R1.27 COCSCc1cc(cs1)Br 62a_100000746031_100000766300 [0,2,0,0,0,0|1,1,0]=4 5727 B11R1.27 COCSCc1cc(cs1)Br 62a_100000766300_100000746031 [0,2,0,0,0,0|1,1,0]=4 5728 B11R1.27 COCSCc1cc(no1)Br 62a_100000709089_100000766300 [0,2,0,0,0,0|2,0,0]=4 5729 B11R1.27 COCSCc1cc(no1)Br 62a_100000766300_100000709089 [0,2,0,0,0,0|2,0,0]=4 5730 B11R1.27 COCSCc1cc(no1)C 62a_100000707947_100000766300 [0,2,0,0,0,0|2,0,0]=4 5731 B11R1.27 COCSCc1cc(no1)C 62a_100000766300_100000707947 [0,2,0,0,0,0|2,0,0]=4 5732 B11R1.27 COCSCc1ccc(s1)Br 62a_100000708592_100000766300 [0,2,0,0,0,0|1,1,0]=4 5733 B11R1.27 COCSCc1ccc(s1)Br 62a_100000766300_100000708592 [0,2,0,0,0,0|1,1,0]=4 5734 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000185097_100000766300 [0,2,0,0,0,0|1,1,0]=4 5735 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000766300_100000185097 [0,2,0,0,0,0|1,1,0]=4 5736 B11R1.27 CSCCCc1nc(no1)C 270196a_100000212224_100000173376 [0,2,0,0,0,0|2,0,0]=4 5737 B11R1.27 CSCCCn1cc(cn1)C 62a_200000210301_200015186932 [0,2,0,0,0,0|2,0,0]=4 5738 B11R1.27 CSCCCn1cc(cn1)C 62a_200015186932_200000210301 [0,2,0,0,0,0|2,0,0]=4 5739 B11R1.27 CSCCSc1cc(cs1)C 62a_100000212216_100009876951 [0,2,0,0,0,0|1,1,0]=4 5740 B11R1.27 CSCCSc1cc(cs1)C 62a_100009876951_100000751147 [0,2,0,0,0,0|1,1,0]=4 5741 B11R1.27 CSCCSc1ccc(s1)Br 62a_100000212216_100010197418 [0,2,0,0,0,0|1,1,0]=4 5742 B11R1.27 CSCCSc1ccc(s1)Br 62a_100010197418_100000751147 [0,2,0,0,0,0|1,1,0]=4 5743 B11R1.27 CSCCSc1ccc(s1)C 62a_100000031368_100000751147 [0,2,0,0,0,0|1,1,0]=4 5744 B11R1.27 CSCCSc1ccc(s1)C 62a_100000212216_100000031368 [0,2,0,0,0,0|1,1,0]=4 5745 B11R1.27 CSCNCc1cc(cs1)Br 2230a_100000741024_100011218213 [0,2,0,0,0,0|1,1,0]=4 5746 B11R1.27 CSCNCc1cc(cs1)Br 34a_100000741024_100011218213 [0,2,0,0,0,0|1,1,0]=4 5747 B11R1.27 CSCNCc1cc(cs1)C 2230a_100015204214_100011218213 [0,2,0,0,0,0|1,1,0]=4 5748 B11R1.27 CSCNCc1cc(cs1)C 34a_100015204214_100011218213 [0,2,0,0,0,0|1,1,0]=4 5749 B11R1.27 CSCNCc1cc(no1)Br 2230a_100015193020_100011218213 [0,2,0,0,0,0|2,0,0]=4 5750 B11R1.27 CSCNCc1cc(no1)Br 34a_100015193020_100011218213 [0,2,0,0,0,0|2,0,0]=4 5751 B11R1.27 CSCNCc1cc(no1)C 2230a_100000745748_100011218213 [0,2,0,0,0,0|2,0,0]=4 5752 B11R1.27 CSCNCc1cc(no1)C 34a_100000745748_100011218213 [0,2,0,0,0,0|2,0,0]=4 5753 B11R1.27 CSCNCc1ccc(o1)Br 34a_100000708654_100011218213 [0,2,0,0,0,0|1,0,0]=3 5754 B11R1.27 CSCNCc1ccc(o1)C 34a_100011194323_100011218213 [0,2,0,0,0,0|1,0,0]=3 5755 B11R1.27 CSCNCc1ccc(s1)C 2230a_100000238518_100011218213 [0,2,0,0,0,0|1,1,0]=4 5756 B11R1.27 CSCNCc1ccc(s1)Cl 2230a_100000737310_100011218213 [0,2,0,0,0,0|1,1,0]=4 5757 B11R1.27 CSCNCc1ncc(o1)C 2230a_100138411809_100011218213 [0,2,0,0,0,0|2,0,0]=4 5758 B11R1.27 CSCNCc1ncc(o1)C 34a_100138411809_100011218213 [0,2,0,0,0,0|2,0,0]=4 5759 B11R1.27 CSCOCc1cc(cs1)Br 34a_100000238369_100011218213 [0,2,0,0,0,0|1,1,0]=4 5760 B11R1.27 CSCOCc1cc(cs1)C 34a_200000068372_100011218213 [0,2,0,0,0,0|1,1,0]=4 5761 B11R1.27 CSCOCc1cc(no1)Br 34a_100009816691_100011218213 [0,2,0,0,0,0|2,0,0]=4 5762 B11R1.27 CSCOCc1cc(no1)C 34a_100000684692_100011218213 [0,2,0,0,0,0|2,0,0]=4 5763 B11R1.27 CSCOCc1ccc(o1)Br 34a_100000246276_100011218213 [0,2,0,0,0,0|1,0,0]=3 5764 B11R1.27 CSCOCc1ccc(o1)C 34a_100011232665_100011218213 [0,2,0,0,0,0|1,0,0]=3 5765 B11R1.27 CSCOCc1ccc(s1)C 34a_100000238367_100011218213 [0,2,0,0,0,0|1,1,0]=4 5766 B11R1.27 CSCSCc1cc(cs1)Br 62a_100000746031_100011218213 [0,2,0,0,0,0|1,1,0]=4 5767 B11R1.27 CSCSCc1cc(cs1)Br 62a_100011218213_100000746031 [0,2,0,0,0,0|1,1,0]=4 5768 B11R1.27 CSCSCc1cc(no1)Br 62a_100000709089_100011218213 [0,2,0,0,0,0|2,0,0]=4 5769 B11R1.27 CSCSCc1cc(no1)Br 62a_100011218213_100000709089 [0,2,0,0,0,0|2,0,0]=4 5770 B11R1.27 CSCSCc1cc(no1)C 62a_100000707947_100011218213 [0,2,0,0,0,0|2,0,0]=4 5771 B11R1.27 CSCSCc1cc(no1)C 62a_100011218213_100000707947 [0,2,0,0,0,0|2,0,0]=4 5772 B11R1.27 CSCSCc1ccc(s1)Br 62a_100000708592_100011218213 [0,2,0,0,0,0|1,1,0]=4 5773 B11R1.27 CSCSCc1ccc(s1)Br 62a_100011218213_100000708592 [0,2,0,0,0,0|1,1,0]=4 5774 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100000185097_100011218213 [0,2,0,0,0,0|1,1,0]=4 5775 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100011218213_100000185097 [0,2,0,0,0,0|1,1,0]=4 5776 B11R1.27 Cc1cc(on1)CNCCF 2230a_100000745748_100011217306 [0,2,0,0,0,0|2,0,0]=4 5777 B11R1.27 Cc1cc(on1)CNCCF 34a_100000724931_100000707947 [0,2,0,0,0,0|2,0,0]=4 5778 B11R1.27 Cc1cc(on1)CNCCF 34a_100000745748_100011217306 [0,2,0,0,0,0|2,0,0]=4 5779 B11R1.27 Cc1cc(on1)CNCCO 207a_100000210304_100011794430 [0,2,0,0,0,0|2,0,0]=4 5780 B11R1.27 Cc1cc(on1)CNCCO 2230a_100000745748_100000211926 [0,2,0,0,0,0|2,0,0]=4 5781 B11R1.27 Cc1cc(on1)CNCCO 2230a_100016997473_100000707947 [0,2,0,0,0,0|2,0,0]=4 5782 B11R1.27 Cc1cc(on1)CNCCO 270004a_100000210304_100011794430 [0,2,0,0,0,0|2,0,0]=4 5783 B11R1.27 Cc1cc(on1)CNCCO 34a_100000745748_100000211926 [0,2,0,0,0,0|2,0,0]=4 5784 B11R1.27 Cc1cc(on1)CNCCO 34a_100016990907_100000707947 [0,2,0,0,0,0|2,0,0]=4 5785 B11R1.27 Cc1cc(on1)COCCBr 34a_100000211926_100000707947 [0,2,0,0,0,0|2,0,0]=4 5786 B11R1.27 Cc1cc(on1)COCCF 34a_100000684692_100011217306 [0,2,0,0,0,0|2,0,0]=4 5787 B11R1.27 Cc1cc(on1)COCCN 34a_100000210304_100000707947 [0,2,0,0,0,0|2,0,0]=4 5788 B11R1.27 Cc1cc(on1)COCCO 34a_100000684692_100000211926 [0,2,0,0,0,0|2,0,0]=4 5789 B11R1.27 Cc1cc(on1)CSCCF 62a_100000707947_100011217306 [0,2,0,0,0,0|2,0,0]=4 5790 B11R1.27 Cc1cc(on1)CSCCF 62a_100011217306_100000707947 [0,2,0,0,0,0|2,0,0]=4 5791 B11R1.27 Cc1cc(on1)CSCCO 62a_100000211926_100000707947 [0,2,0,0,0,0|2,0,0]=4 5792 B11R1.27 Cc1cc(on1)CSCCO 62a_100000707947_100000211926 [0,2,0,0,0,0|2,0,0]=4 5793 B11R1.27 Cc1ccc(o1)CCNCF 34a_100000739271_100015361967 [0,2,0,0,0,0|1,0,0]=3 5794 B11R1.27 Cc1ccc(o1)CCOCF 34a_100012161071_100015361967 [0,2,0,0,0,0|1,0,0]=3 5795 B11R1.27 Cc1ccc(o1)CCOCF 7a_100012161071_100015361967 [0,2,0,0,0,0|1,0,0]=3 5796 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [0,2,0,0,0,0|1,0,1]=4 5797 B11R1.27 Cc1ccc(o1)CNCCF 34a_100011194323_100011217306 [0,2,0,0,0,0|1,0,0]=3 5798 B11R1.27 Cc1ccc(o1)CNCCO 207a_100000210304_100000183696 [0,2,0,0,0,0|1,0,0]=3 5799 B11R1.27 Cc1ccc(o1)CNCCO 270004a_100000210304_100000183696 [0,2,0,0,0,0|1,0,0]=3 5800 B11R1.27 Cc1ccc(o1)CNCCO 34a_100011194323_100000211926 [0,2,0,0,0,0|1,0,0]=3 5801 B11R1.27 Cc1ccc(o1)COCC#N 7a_100011232665_100011215382 [0,2,0,0,0,0|1,0,1]=4 5802 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [0,2,0,0,0,0|1,0,1]=4 5803 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [0,2,0,0,0,0|1,0,1]=4 5804 B11R1.27 Cc1ccc(o1)COCCF 34a_100011232665_100011217306 [0,2,0,0,0,0|1,0,0]=3 5805 B11R1.27 Cc1ccc(o1)COCCF 7a_100011232665_100011217306 [0,2,0,0,0,0|1,0,0]=3 5806 B11R1.27 Cc1ccc(o1)COCCO 34a_100011232665_100000211926 [0,2,0,0,0,0|1,0,0]=3 5807 B11R1.27 Cc1ccc(o1)COCCO 7a_100011232665_100000211926 [0,2,0,0,0,0|1,0,0]=3 5808 B11R1.27 Cc1ccc(s1)CNCCF 2230a_100000238518_100011217306 [0,2,0,0,0,0|1,1,0]=4 5809 B11R1.27 Cc1ccc(s1)CNCCO 207a_100000210304_100000211121 [0,2,0,0,0,0|1,1,0]=4 5810 B11R1.27 Cc1ccc(s1)CNCCO 2230a_100000238518_100000211926 [0,2,0,0,0,0|1,1,0]=4 5811 B11R1.27 Cc1ccc(s1)CNCCO 270004a_100000210304_100000211121 [0,2,0,0,0,0|1,1,0]=4 5812 B11R1.27 Cc1ccc(s1)COCCF 34a_100000238367_100011217306 [0,2,0,0,0,0|1,1,0]=4 5813 B11R1.27 Cc1ccc(s1)COCCO 34a_100000238367_100000211926 [0,2,0,0,0,0|1,1,0]=4 5814 B11R1.27 Cc1ccc(s1)SCCCF 62a_100000031368_100011934791 [0,2,0,0,0,0|1,1,0]=4 5815 B11R1.27 Cc1ccc(s1)SCCCF 62a_100011934791_100000031368 [0,2,0,0,0,0|1,1,0]=4 5816 B11R1.27 Cc1ccc(s1)SCCCO 62a_100000031368_100011215043 [0,2,0,0,0,0|1,1,0]=4 5817 B11R1.27 Cc1ccc(s1)SCCCO 62a_100011215043_100000031368 [0,2,0,0,0,0|1,1,0]=4 5818 B11R1.27 Cc1cnc(o1)CNCCF 2230a_100138411809_100011217306 [0,2,0,0,0,0|2,0,0]=4 5819 B11R1.27 Cc1cnc(o1)CNCCF 34a_100138411809_100011217306 [0,2,0,0,0,0|2,0,0]=4 5820 B11R1.27 Cc1cnc(o1)CNCCO 2230a_100138411809_100000211926 [0,2,0,0,0,0|2,0,0]=4 5821 B11R1.27 Cc1cnc(o1)CNCCO 34a_100138411809_100000211926 [0,2,0,0,0,0|2,0,0]=4 5822 B11R1.27 Cc1cnn(c1)CCCN[13CH3] 2230a_100000748464_200025704644 [0,2,0,0,0,0|2,0,0]=4 5823 B11R1.27 Cc1cnn(c1)CCCN[13CH3] 34a_100000748464_200025704644 [0,2,0,0,0,0|2,0,0]=4 5824 B11R1.27 Cc1cnn(c1)CCCS[13CH3] 62a_200015186932_200025704644 [0,2,0,0,0,0|2,0,0]=4 5825 B11R1.27 Cc1cnn(c1)CCCS[13CH3] 62a_200025704644_200015186932 [0,2,0,0,0,0|2,0,0]=4 5826 B11R1.27 Cc1csc(c1)CNCCF 2230a_100015204214_100011217306 [0,2,0,0,0,0|1,1,0]=4 5827 B11R1.27 Cc1csc(c1)CNCCF 34a_100015204214_100011217306 [0,2,0,0,0,0|1,1,0]=4 5828 B11R1.27 Cc1csc(c1)CNCCO 207a_100000210304_100102525248 [0,2,0,0,0,0|1,1,0]=4 5829 B11R1.27 Cc1csc(c1)CNCCO 2230a_100015204214_100000211926 [0,2,0,0,0,0|1,1,0]=4 5830 B11R1.27 Cc1csc(c1)CNCCO 270004a_100000210304_100102525248 [0,2,0,0,0,0|1,1,0]=4 5831 B11R1.27 Cc1csc(c1)CNCCO 34a_100015204214_100000211926 [0,2,0,0,0,0|1,1,0]=4 5832 B11R1.27 Cc1csc(c1)COCCF 34a_200000068372_100011217306 [0,2,0,0,0,0|1,1,0]=4 5833 B11R1.27 Cc1csc(c1)COCCF 7a_200000068372_100011217306 [0,2,0,0,0,0|1,1,0]=4 5834 B11R1.27 Cc1csc(c1)COCCO 34a_200000068372_100000211926 [0,2,0,0,0,0|1,1,0]=4 5835 B11R1.27 Cc1csc(c1)COCCO 7a_200000068372_100000211926 [0,2,0,0,0,0|1,1,0]=4 5836 B11R1.27 Cc1csc(c1)SCCCF 62a_100009876951_100011934791 [0,2,0,0,0,0|1,1,0]=4 5837 B11R1.27 Cc1csc(c1)SCCCF 62a_100011934791_100009876951 [0,2,0,0,0,0|1,1,0]=4 5838 B11R1.27 Cc1csc(c1)SCCCO 62a_100009876951_100011215043 [0,2,0,0,0,0|1,1,0]=4 5839 B11R1.27 Cc1csc(c1)SCCCO 62a_100011215043_100009876951 [0,2,0,0,0,0|1,1,0]=4 5840 B11R1.27 Cc1csc(n1)CCCN[13CH3] 2230a_100000749783_200025704644 [0,2,0,0,0,0|1,1,0]=4 5841 B11R1.27 Cc1ncc(o1)CNCCO 207a_100000210304_100000084308 [0,2,0,0,0,0|2,0,0]=4 5842 B11R1.27 Cc1ncc(o1)CNCCO 270004a_100000210304_100000084308 [0,2,0,0,0,0|2,0,0]=4 5843 B11R1.27 Cc1noc(n1)CCCCO 270196a_100000212224_100000695505 [0,2,0,0,0,0|2,0,0]=4 5844 B11R1.27 Cc1noc(n1)CCCN[13CH3] 34a_100000750606_200025704644 [0,2,0,0,0,0|2,0,0]=4 5845 B11R1.27 Clc1ccc(s1)COCCBr 34a_100000211926_100000185097 [0,2,0,0,0,0|1,1,0]=4 5846 B11R1.27 FCCCSc1ccc(s1)Br 62a_100010197418_100011934791 [0,2,0,0,0,0|1,1,0]=4 5847 B11R1.27 FCCCSc1ccc(s1)Br 62a_100011934791_100010197418 [0,2,0,0,0,0|1,1,0]=4 5848 B11R1.27 FCCNCc1cc(cs1)Br 2230a_100000741024_100011217306 [0,2,0,0,0,0|1,1,0]=4 5849 B11R1.27 FCCNCc1cc(cs1)Br 34a_100000724931_100000746031 [0,2,0,0,0,0|1,1,0]=4 5850 B11R1.27 FCCNCc1cc(cs1)Br 34a_100000741024_100011217306 [0,2,0,0,0,0|1,1,0]=4 5851 B11R1.27 FCCNCc1cc(no1)Br 2230a_100015193020_100011217306 [0,2,0,0,0,0|2,0,0]=4 5852 B11R1.27 FCCNCc1cc(no1)Br 34a_100015193020_100011217306 [0,2,0,0,0,0|2,0,0]=4 5853 B11R1.27 FCCNCc1ccc(o1)Br 34a_100000708654_100011217306 [0,2,0,0,0,0|1,0,0]=3 5854 B11R1.27 FCCNCc1ccc(s1)Br 34a_100000724931_100000708592 [0,2,0,0,0,0|1,1,0]=4 5855 B11R1.27 FCCNCc1ccc(s1)Cl 2230a_100000737310_100011217306 [0,2,0,0,0,0|1,1,0]=4 5856 B11R1.27 FCCNCc1ccc(s1)Cl 34a_100000724931_100000185097 [0,2,0,0,0,0|1,1,0]=4 5857 B11R1.27 FCCOCc1cc(cs1)Br 34a_100000238369_100011217306 [0,2,0,0,0,0|1,1,0]=4 5858 B11R1.27 FCCOCc1cc(cs1)Br 7a_100000238369_100011217306 [0,2,0,0,0,0|1,1,0]=4 5859 B11R1.27 FCCOCc1cc(no1)Br 34a_100009816691_100011217306 [0,2,0,0,0,0|2,0,0]=4 5860 B11R1.27 FCCOCc1ccc(o1)Br 34a_100000246276_100011217306 [0,2,0,0,0,0|1,0,0]=3 5861 B11R1.27 FCCOCc1ccc(o1)Br 7a_100000246276_100011217306 [0,2,0,0,0,0|1,0,0]=3 5862 B11R1.27 FCCSCc1cc(cs1)Br 62a_100000746031_100011217306 [0,2,0,0,0,0|1,1,0]=4 5863 B11R1.27 FCCSCc1cc(cs1)Br 62a_100011217306_100000746031 [0,2,0,0,0,0|1,1,0]=4 5864 B11R1.27 FCCSCc1cc(no1)Br 62a_100000709089_100011217306 [0,2,0,0,0,0|2,0,0]=4 5865 B11R1.27 FCCSCc1cc(no1)Br 62a_100011217306_100000709089 [0,2,0,0,0,0|2,0,0]=4 5866 B11R1.27 FCCSCc1ccc(s1)Br 62a_100000708592_100011217306 [0,2,0,0,0,0|1,1,0]=4 5867 B11R1.27 FCCSCc1ccc(s1)Br 62a_100011217306_100000708592 [0,2,0,0,0,0|1,1,0]=4 5868 B11R1.27 FCCSCc1ccc(s1)Cl 62a_100000185097_100011217306 [0,2,0,0,0,0|1,1,0]=4 5869 B11R1.27 FCCSCc1ccc(s1)Cl 62a_100011217306_100000185097 [0,2,0,0,0,0|1,1,0]=4 5870 B11R1.27 FCOCCc1cc(no1)Br 34a_100009816916_100015361967 [0,2,0,0,0,0|2,0,0]=4 5871 B11R1.27 N#CCOCc1ccc(o1)Br 7a_100000246276_100011215382 [0,2,0,0,0,0|1,0,1]=4 5872 B11R1.27 NCCOCc1cc(cs1)Br 34a_100000210304_100000746031 [0,2,0,0,0,0|1,1,0]=4 5873 B11R1.27 NCCOCc1ccc(s1)Br 34a_100000210304_100000708592 [0,2,0,0,0,0|1,1,0]=4 5874 B11R1.27 NCCOCc1ccc(s1)Cl 34a_100000210304_100000185097 [0,2,0,0,0,0|1,1,0]=4 5875 B11R1.27 NCCSCc1ccc(s1)O 271570a_203496583355_100000198568 [0,2,0,0,0,0|1,1,0]=4 5876 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [0,2,0,0,0,0|1,0,1]=4 5877 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [0,2,0,0,0,0|1,0,1]=4 5878 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [0,2,0,0,0,0|1,0,1]=4 5879 B11R1.27 OCCCSc1ccc(s1)Br 62a_100010197418_100011215043 [0,2,0,0,0,0|1,1,0]=4 5880 B11R1.27 OCCCSc1ccc(s1)Br 62a_100011215043_100010197418 [0,2,0,0,0,0|1,1,0]=4 5881 B11R1.27 OCCNCc1cc(c[nH]1)Br 270004a_100000210304_100000720742 [0,2,0,0,0,0|2,0,0]=4 5882 B11R1.27 OCCNCc1cc(co1)Br 270004a_100000210304_100000747035 [0,2,0,0,0,0|1,0,0]=3 5883 B11R1.27 OCCNCc1cc(cs1)Br 207a_100000210304_100000211722 [0,2,0,0,0,0|1,1,0]=4 5884 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100000741024_100000211926 [0,2,0,0,0,0|1,1,0]=4 5885 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100016997473_100000746031 [0,2,0,0,0,0|1,1,0]=4 5886 B11R1.27 OCCNCc1cc(cs1)Br 270004a_100000210304_100000211722 [0,2,0,0,0,0|1,1,0]=4 5887 B11R1.27 OCCNCc1cc(cs1)Br 34a_100000741024_100000211926 [0,2,0,0,0,0|1,1,0]=4 5888 B11R1.27 OCCNCc1cc(cs1)Br 34a_100016990907_100000746031 [0,2,0,0,0,0|1,1,0]=4 5889 B11R1.27 OCCNCc1cc(cs1)Cl 207a_100000210304_100000102487 [0,2,0,0,0,0|1,1,0]=4 5890 B11R1.27 OCCNCc1cc(cs1)Cl 270004a_100000210304_100000102487 [0,2,0,0,0,0|1,1,0]=4 5891 B11R1.27 OCCNCc1cc(cs1)I 207a_100000210304_100010179861 [0,2,0,0,0,0|1,1,0]=4 5892 B11R1.27 OCCNCc1cc(no1)Br 2230a_100015193020_100000211926 [0,2,0,0,0,0|2,0,0]=4 5893 B11R1.27 OCCNCc1cc(no1)Br 270004a_100000210304_100009819588 [0,2,0,0,0,0|2,0,0]=4 5894 B11R1.27 OCCNCc1cc(no1)Br 34a_100015193020_100000211926 [0,2,0,0,0,0|2,0,0]=4 5895 B11R1.27 OCCNCc1ccc(o1)Br 207a_100000210304_100000185145 [0,2,0,0,0,0|1,0,0]=3 5896 B11R1.27 OCCNCc1ccc(o1)Br 270004a_100000210304_100000185145 [0,2,0,0,0,0|1,0,0]=3 5897 B11R1.27 OCCNCc1ccc(o1)Br 34a_100000708654_100000211926 [0,2,0,0,0,0|1,0,0]=3 5898 B11R1.27 OCCNCc1ccc(o1)Cl 207a_100000210304_100000188459 [0,2,0,0,0,0|1,0,0]=3 5899 B11R1.27 OCCNCc1ccc(o1)Cl 270004a_100000210304_100000188459 [0,2,0,0,0,0|1,0,0]=3 5900 B11R1.27 OCCNCc1ccc(o1)I 207a_100000210304_100000186757 [0,2,0,0,0,0|1,0,0]=3 5901 B11R1.27 OCCNCc1ccc(s1)Br 207a_100000210304_100000179771 [0,2,0,0,0,0|1,1,0]=4 5902 B11R1.27 OCCNCc1ccc(s1)Br 2230a_100016997473_100000708592 [0,2,0,0,0,0|1,1,0]=4 5903 B11R1.27 OCCNCc1ccc(s1)Br 270004a_100000210304_100000179771 [0,2,0,0,0,0|1,1,0]=4 5904 B11R1.27 OCCNCc1ccc(s1)Br 34a_100016990907_100000708592 [0,2,0,0,0,0|1,1,0]=4 5905 B11R1.27 OCCNCc1ccc(s1)Cl 207a_100000210304_100000242774 [0,2,0,0,0,0|1,1,0]=4 5906 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100000737310_100000211926 [0,2,0,0,0,0|1,1,0]=4 5907 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100016997473_100000185097 [0,2,0,0,0,0|1,1,0]=4 5908 B11R1.27 OCCNCc1ccc(s1)Cl 270004a_100000210304_100000242774 [0,2,0,0,0,0|1,1,0]=4 5909 B11R1.27 OCCNCc1ccc(s1)Cl 34a_100016990907_100000185097 [0,2,0,0,0,0|1,1,0]=4 5910 B11R1.27 OCCOCc1cc(cs1)Br 34a_100000238369_100000211926 [0,2,0,0,0,0|1,1,0]=4 5911 B11R1.27 OCCOCc1cc(cs1)Br 7a_100000238369_100000211926 [0,2,0,0,0,0|1,1,0]=4 5912 B11R1.27 OCCOCc1cc(no1)Br 34a_100009816691_100000211926 [0,2,0,0,0,0|2,0,0]=4 5913 B11R1.27 OCCOCc1ccc(o1)Br 34a_100000246276_100000211926 [0,2,0,0,0,0|1,0,0]=3 5914 B11R1.27 OCCOCc1ccc(o1)Br 7a_100000246276_100000211926 [0,2,0,0,0,0|1,0,0]=3 5915 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000211926_100000746031 [0,2,0,0,0,0|1,1,0]=4 5916 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000746031_100000211926 [0,2,0,0,0,0|1,1,0]=4 5917 B11R1.27 OCCSCc1cc(no1)Br 62a_100000211926_100000709089 [0,2,0,0,0,0|2,0,0]=4 5918 B11R1.27 OCCSCc1cc(no1)Br 62a_100000709089_100000211926 [0,2,0,0,0,0|2,0,0]=4 5919 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000211926_100000708592 [0,2,0,0,0,0|1,1,0]=4 5920 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000708592_100000211926 [0,2,0,0,0,0|1,1,0]=4 5921 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000185097_100000211926 [0,2,0,0,0,0|1,1,0]=4 5922 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000211926_100000185097 [0,2,0,0,0,0|1,1,0]=4 5923 B11R1.27 [13CH3]NCCCn1cc(cn1)Cl 34a_100011353932_200025704644 [0,2,0,0,0,0|2,0,0]=4 5924 B11R1.27 [13CH3]OCCCn1cc(cn1)Br 34a_100011398341_200025704644 [0,2,0,0,0,0|2,0,0]=4 5925 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,2,0,0,0,0|0,1,1]=4 5926 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,2,0,0,0,0|0,1,1]=4 5927 B11R1.39 CCC(=O)Cc1cc(no1)Br 1458a_100000210414_100000709089 [0,2,0,0,0,0|1,0,1]=4 5928 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210202 [0,2,0,0,0,0|1,0,1]=4 5929 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000210414_100000707947 [0,2,0,0,0,0|1,0,1]=4 5930 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,2,0,0,0,0|0,1,1]=4 5931 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,2,0,0,0,0|0,1,1]=4 5932 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,2,0,0,0,0|0,1,1]=4 5933 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,2,0,0,0,0|0,1,1]=4 5934 B11R1.39 CCC(C)Cc1nc(no1)C 270196a_100000212224_100000708755 [0,2,0,0,0,0|2,0,0]=4 5935 B11R1.39 CCC(C)Sc1cc(cs1)C 62a_100000758301_100009876951 [0,2,0,0,0,0|1,1,0]=4 5936 B11R1.39 CCC(C)Sc1cc(cs1)C 62a_100009876951_100000758301 [0,2,0,0,0,0|1,1,0]=4 5937 B11R1.39 CCC(C)Sc1ccc(s1)Br 62a_100000758301_100010197418 [0,2,0,0,0,0|1,1,0]=4 5938 B11R1.39 CCC(C)Sc1ccc(s1)Br 62a_100010197418_100000758301 [0,2,0,0,0,0|1,1,0]=4 5939 B11R1.39 CCC(C)Sc1ccc(s1)C 62a_100000031368_100000758301 [0,2,0,0,0,0|1,1,0]=4 5940 B11R1.39 CCC(C)Sc1ccc(s1)C 62a_100000758301_100000031368 [0,2,0,0,0,0|1,1,0]=4 5941 B11R1.39 CCC(O)Cc1nc(no1)C 270196a_100000212224_100011667805 [0,2,0,0,0,0|2,0,0]=4 5942 B11R1.39 CCN(C)Cc1cc(cs1)Br 2230a_100000207611_100000210202 [0,2,0,0,0,0|1,1,0]=4 5943 B11R1.39 CCN(C)Cc1cc(cs1)Br 2230a_100000225621_100000746031 [0,2,0,0,0,0|1,1,0]=4 5944 B11R1.39 CCN(C)Cc1cc(cs1)Br 269982a_100000207611_100000204670 [0,2,0,0,0,0|1,1,0]=4 5945 B11R1.39 CCN(C)Cc1cc(cs1)Br 269982a_100000225621_100000746031 [0,2,0,0,0,0|1,1,0]=4 5946 B11R1.39 CCN(C)Cc1cc(cs1)C 2230a_100011502060_100000210202 [0,2,0,0,0,0|1,1,0]=4 5947 B11R1.39 CCN(C)Cc1cc(cs1)C 269982a_100011502060_100000204670 [0,2,0,0,0,0|1,1,0]=4 5948 B11R1.39 CCN(C)Cc1cc(no1)Br 269982a_100000225621_100000709089 [0,2,0,0,0,0|2,0,0]=4 5949 B11R1.39 CCN(C)Cc1cc(no1)C 2230a_100000225621_100000707947 [0,2,0,0,0,0|2,0,0]=4 5950 B11R1.39 CCN(C)Cc1cc(no1)C 269982a_100000225621_100000707947 [0,2,0,0,0,0|2,0,0]=4 5951 B11R1.39 CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210202 [0,2,0,0,0,0|1,0,0]=3 5952 B11R1.39 CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000204670 [0,2,0,0,0,0|1,0,0]=3 5953 B11R1.39 CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210202 [0,2,0,0,0,0|1,0,0]=3 5954 B11R1.39 CCN(C)Cc1ccc(o1)C 2230a_200015183256_200000210301 [0,2,0,0,0,0|1,0,0]=3 5955 B11R1.39 CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000204670 [0,2,0,0,0,0|1,0,0]=3 5956 B11R1.39 CCN(C)Cc1ccc(o1)C 269982a_200015183256_200000210301 [0,2,0,0,0,0|1,0,0]=3 5957 B11R1.39 CCN(C)Cc1ccc(o1)C 34a_100000184526_100000210202 [0,2,0,0,0,0|1,0,0]=3 5958 B11R1.39 CCN(C)Cc1ccc(s1)Br 2230a_100000225621_100000708592 [0,2,0,0,0,0|1,1,0]=4 5959 B11R1.39 CCN(C)Cc1ccc(s1)Br 269982a_100000225621_100000708592 [0,2,0,0,0,0|1,1,0]=4 5960 B11R1.39 CCN(C)Cc1ccc(s1)C 2230a_100000751125_100000210202 [0,2,0,0,0,0|1,1,0]=4 5961 B11R1.39 CCN(C)Cc1ccc(s1)C 269982a_100000751125_100000204670 [0,2,0,0,0,0|1,1,0]=4 5962 B11R1.39 CCN(C)Cc1ccc(s1)Cl 2230a_100000225621_100000185097 [0,2,0,0,0,0|1,1,0]=4 5963 B11R1.39 CCN(C)Cc1ccc(s1)Cl 269982a_100000225621_100000185097 [0,2,0,0,0,0|1,1,0]=4 5964 B11R1.39 CCN([13CH3])Cc1ccc(o1)C 2230a_200015183256_200025704644 [0,2,0,0,0,0|1,0,0]=3 5965 B11R1.39 CCN([13CH3])Cc1ccc(o1)C 269982a_200015183256_200025704644 [0,2,0,0,0,0|1,0,0]=3 5966 B11R1.39 CN(CF)Cc1ccc(o1)Br 269982a_100000207588_100015361967 [0,2,0,0,0,0|2,0,0]=4 5967 B11R1.39 Cc1ccc(o1)CN(C)CF 269982a_100000184526_100015361967 [0,2,0,0,0,0|2,0,0]=4 5968 B11R1.39 Cc1ccc(o1)CN(C)CF 34a_100000184526_100015361967 [0,2,0,0,0,0|2,0,0]=4 5969 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,2,0,0,0,0|1,0,1]=4 5970 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 5971 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 5972 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 5973 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,2,0,0,0,0|1,0,1]=4 5974 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 5975 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 5976 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 5977 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,2,0,0,0,0|1,0,1]=4 5978 B11R1.75 CC(C)CCn1cc(cn1)O 271570a_203496583355_200012073170 [0,2,0,0,0,0|2,0,0]=4 5979 B11R1.75 CC(C)CSc1ccc(s1)Br 62a_100000210624_100010197418 [0,2,0,0,0,0|1,1,0]=4 5980 B11R1.75 CC(C)CSc1ccc(s1)Br 62a_100010197418_100000210760 [0,2,0,0,0,0|1,1,0]=4 5981 B11R1.75 CC(C)NCc1cc(cs1)Br 207a_100138425928_100000211722 [0,2,0,0,0,0|1,1,0]=4 5982 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100000741024_100000210206 [0,2,0,0,0,0|1,1,0]=4 5983 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100138425928_100000746031 [0,2,0,0,0,0|1,1,0]=4 5984 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100000741024_100000210206 [0,2,0,0,0,0|1,1,0]=4 5985 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100138425928_100000746031 [0,2,0,0,0,0|1,1,0]=4 5986 B11R1.75 CC(C)NCc1cc(cs1)Cl 207a_100138425928_100000102487 [0,2,0,0,0,0|1,1,0]=4 5987 B11R1.75 CC(C)NCc1cc(cs1)I 207a_100138425928_100010179861 [0,2,0,0,0,0|1,1,0]=4 5988 B11R1.75 CC(C)NCc1cc(no1)Br 2230a_100015193020_100000210206 [0,2,0,0,0,0|2,0,0]=4 5989 B11R1.75 CC(C)NCc1cc(no1)Br 34a_100015193020_100000210206 [0,2,0,0,0,0|2,0,0]=4 5990 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [0,2,0,0,0,0|1,0,0]=3 5991 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [0,2,0,0,0,0|1,0,0]=3 5992 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [0,2,0,0,0,0|1,0,0]=3 5993 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [0,2,0,0,0,0|1,0,0]=3 5994 B11R1.75 CC(C)NCc1ccc(s1)Br 207a_100138425928_100000179771 [0,2,0,0,0,0|1,1,0]=4 5995 B11R1.75 CC(C)NCc1ccc(s1)Br 2230a_100138425928_100000708592 [0,2,0,0,0,0|1,1,0]=4 5996 B11R1.75 CC(C)NCc1ccc(s1)Br 34a_100138425928_100000708592 [0,2,0,0,0,0|1,1,0]=4 5997 B11R1.75 CC(C)NCc1ccc(s1)Cl 207a_100138425928_100000242774 [0,2,0,0,0,0|1,1,0]=4 5998 B11R1.75 CC(C)NCc1ccc(s1)Cl 2230a_100000737310_100000210206 [0,2,0,0,0,0|1,1,0]=4 5999 B11R1.75 CC(C)NCc1ccc(s1)Cl 2230a_100138425928_100000185097 [0,2,0,0,0,0|1,1,0]=4 6000 B11R1.75 CC(C)NCc1ccc(s1)Cl 34a_100138425928_100000185097 [0,2,0,0,0,0|1,1,0]=4 6001 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000212225_100000746031 [0,2,0,0,0,0|1,1,0]=4 6002 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000238369_100000210206 [0,2,0,0,0,0|1,1,0]=4 6003 B11R1.75 CC(C)OCc1cc(cs1)Br 7a_100000238369_100000210206 [0,2,0,0,0,0|1,1,0]=4 6004 B11R1.75 CC(C)OCc1cc(no1)Br 34a_100009816691_100000210206 [0,2,0,0,0,0|2,0,0]=4 6005 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [0,2,0,0,0,0|1,0,0]=3 6006 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [0,2,0,0,0,0|1,0,0]=3 6007 B11R1.75 CC(C)OCc1ccc(s1)Br 34a_100000212225_100000708592 [0,2,0,0,0,0|1,1,0]=4 6008 B11R1.75 CC(C)OCc1ccc(s1)Cl 34a_100000212225_100000185097 [0,2,0,0,0,0|1,1,0]=4 6009 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000210206_100000746031 [0,2,0,0,0,0|1,1,0]=4 6010 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000746031_100000210206 [0,2,0,0,0,0|1,1,0]=4 6011 B11R1.75 CC(C)SCc1cc(no1)Br 62a_100000210206_100000709089 [0,2,0,0,0,0|2,0,0]=4 6012 B11R1.75 CC(C)SCc1cc(no1)Br 62a_100000709089_100000210206 [0,2,0,0,0,0|2,0,0]=4 6013 B11R1.75 CC(C)SCc1ccc(s1)Br 62a_100000210206_100000708592 [0,2,0,0,0,0|1,1,0]=4 6014 B11R1.75 CC(C)SCc1ccc(s1)Br 62a_100000708592_100000210206 [0,2,0,0,0,0|1,1,0]=4 6015 B11R1.75 CC(C)SCc1ccc(s1)Cl 62a_100000185097_100000210206 [0,2,0,0,0,0|1,1,0]=4 6016 B11R1.75 CC(C)SCc1ccc(s1)Cl 62a_100000210206_100000185097 [0,2,0,0,0,0|1,1,0]=4 6017 B11R1.75 CC(O)CSc1ccc(s1)Br 62a_100010197418_100011218427 [0,2,0,0,0,0|1,1,0]=4 6018 B11R1.75 CC(O)CSc1ccc(s1)Br 62a_100011218427_100010197418 [0,2,0,0,0,0|1,1,0]=4 6019 B11R1.75 C[C@@H](O)CSc1ccc(s1)Br 62a_100009817552_100010197418 [0,2,0,0,0,0|1,1,0]=4 6020 B11R1.75 C[C@@H](O)CSc1ccc(s1)Br 62a_100010197418_100009817552 [0,2,0,0,0,0|1,1,0]=4 6021 B11R1.75 Cc1cc(on1)CNC(C)C 207a_100138425928_100011794430 [0,2,0,0,0,0|2,0,0]=4 6022 B11R1.75 Cc1cc(on1)CNC(C)C 2230a_100000745748_100000210206 [0,2,0,0,0,0|2,0,0]=4 6023 B11R1.75 Cc1cc(on1)CNC(C)C 2230a_100138425928_100000707947 [0,2,0,0,0,0|2,0,0]=4 6024 B11R1.75 Cc1cc(on1)CNC(C)C 34a_100000745748_100000210206 [0,2,0,0,0,0|2,0,0]=4 6025 B11R1.75 Cc1cc(on1)CNC(C)C 34a_100138425928_100000707947 [0,2,0,0,0,0|2,0,0]=4 6026 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000212225_100000707947 [0,2,0,0,0,0|2,0,0]=4 6027 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000684692_100000210206 [0,2,0,0,0,0|2,0,0]=4 6028 B11R1.75 Cc1cc(on1)CSC(C)C 62a_100000210206_100000707947 [0,2,0,0,0,0|2,0,0]=4 6029 B11R1.75 Cc1cc(on1)CSC(C)C 62a_100000707947_100000210206 [0,2,0,0,0,0|2,0,0]=4 6030 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,2,0,0,0,0|1,0,0]=3 6031 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,2,0,0,0,0|1,0,0]=3 6032 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,2,0,0,0,0|1,0,0]=3 6033 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,2,0,0,0,0|1,0,0]=3 6034 B11R1.75 Cc1ccc(s1)CNC(C)C 207a_100138425928_100000211121 [0,2,0,0,0,0|1,1,0]=4 6035 B11R1.75 Cc1ccc(s1)CNC(C)C 2230a_100000238518_100000210206 [0,2,0,0,0,0|1,1,0]=4 6036 B11R1.75 Cc1ccc(s1)COC(C)C 34a_100000238367_100000210206 [0,2,0,0,0,0|1,1,0]=4 6037 B11R1.75 Cc1ccc(s1)SCC(C)C 62a_100000031368_100000210760 [0,2,0,0,0,0|1,1,0]=4 6038 B11R1.75 Cc1ccc(s1)SCC(C)C 62a_100000210624_100000031368 [0,2,0,0,0,0|1,1,0]=4 6039 B11R1.75 Cc1ccc(s1)SCC(C)O 62a_100000031368_100011218427 [0,2,0,0,0,0|1,1,0]=4 6040 B11R1.75 Cc1ccc(s1)SCC(C)O 62a_100011218427_100000031368 [0,2,0,0,0,0|1,1,0]=4 6041 B11R1.75 Cc1ccc(s1)SC[C@@H](C)O 62a_100000031368_100009817552 [0,2,0,0,0,0|1,1,0]=4 6042 B11R1.75 Cc1ccc(s1)SC[C@@H](C)O 62a_100009817552_100000031368 [0,2,0,0,0,0|1,1,0]=4 6043 B11R1.75 Cc1cnc(o1)CNC(C)C 2230a_100138411809_100000210206 [0,2,0,0,0,0|2,0,0]=4 6044 B11R1.75 Cc1cnc(o1)CNC(C)C 34a_100138411809_100000210206 [0,2,0,0,0,0|2,0,0]=4 6045 B11R1.75 Cc1csc(c1)CNC(C)C 207a_100138425928_100102525248 [0,2,0,0,0,0|1,1,0]=4 6046 B11R1.75 Cc1csc(c1)CNC(C)C 2230a_100015204214_100000210206 [0,2,0,0,0,0|1,1,0]=4 6047 B11R1.75 Cc1csc(c1)CNC(C)C 34a_100015204214_100000210206 [0,2,0,0,0,0|1,1,0]=4 6048 B11R1.75 Cc1csc(c1)COC(C)C 34a_200000068372_100000210206 [0,2,0,0,0,0|1,1,0]=4 6049 B11R1.75 Cc1csc(c1)COC(C)C 7a_200000068372_100000210206 [0,2,0,0,0,0|1,1,0]=4 6050 B11R1.75 Cc1csc(c1)SCC(C)C 62a_100000210624_100009876951 [0,2,0,0,0,0|1,1,0]=4 6051 B11R1.75 Cc1csc(c1)SCC(C)C 62a_100009876951_100000210760 [0,2,0,0,0,0|1,1,0]=4 6052 B11R1.75 Cc1csc(c1)SCC(C)O 62a_100009876951_100011218427 [0,2,0,0,0,0|1,1,0]=4 6053 B11R1.75 Cc1csc(c1)SCC(C)O 62a_100011218427_100009876951 [0,2,0,0,0,0|1,1,0]=4 6054 B11R1.75 Cc1csc(c1)SC[C@@H](C)O 62a_100009817552_100009876951 [0,2,0,0,0,0|1,1,0]=4 6055 B11R1.75 Cc1csc(c1)SC[C@@H](C)O 62a_100009876951_100009817552 [0,2,0,0,0,0|1,1,0]=4 6056 B11R1.75 Cc1ncc(o1)CNC(C)C 207a_100138425928_100000084308 [0,2,0,0,0,0|2,0,0]=4 6057 B11R1.75 Cc1noc(n1)CCC(C)C 270196a_100000212224_100000181311 [0,2,0,0,0,0|2,0,0]=4 6058 B11R1.75 Cc1noc(n1)CCC(C)O 270196a_100000212224_100000718519 [0,2,0,0,0,0|2,0,0]=4 6059 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,2,0,0,0,0|1,0,1]=4 6060 B11R1.212 CCCCc1cnc(n1C)C 271570a_100020621405_100000762843 [0,2,0,0,0,0|2,0,0]=4 6061 B11R1.212 CCCCc1csc(c1C)C 271570a_100020621405_100009820295 [0,2,0,0,0,0|2,0,0]=4 6062 B11R1.212 CCCCc1n[nH]c(c1C)C 271570a_100020621405_100015309786 [0,2,0,0,0,0|2,0,0]=4 6063 B11R1.212 CCCCc1ncc(n1C)C 271570a_100020621405_100009816807 [0,2,0,0,0,0|2,0,0]=4 6064 B11R1.212 CCNCc1ccc(n1C)C 34a_100000744627_100000210202 [0,2,0,0,0,0|2,0,0]=4 6065 B11R1.212 CCNCc1scc(c1Br)Br 207a_100015525214_100012354027 [0,2,0,0,0,0|1,1,0]=4 6066 B11R1.214 C=Cc1cnn(c1)CCCC 271570a_100011290941_200011400202 [0,2,0,0,0,0|2,0,0]=4 6067 B11R1.214 C=Cc1csc(c1)COCC 271570a_100011290941_100011542529 [0,2,0,0,0,0|1,1,0]=4 6068 B11R1.214 CCCCc1c[nH]c(c1)C#N 271570a_100020621405_100009952751 [0,2,0,0,0,0|2,0,0]=4 6069 B11R1.214 CCCCc1cc(c[nH]1)C=O 271570a_100020621405_100009882863 [0,2,0,0,0,0|1,0,0]=3 6070 B11R1.214 CCCCc1cc(cs1)C=O 271570a_100020621405_100000737087 [0,2,0,0,0,0|0,1,0]=3 6071 B11R1.214 CCCCc1ccc(o1)C#N 271570a_100020621405_100000764468 [0,2,0,0,0,0|0,0,0]=2 6072 B11R1.214 CCCCc1ccc(o1)C=O 271570a_100020621405_100000185145 [0,2,0,0,0,0|0,0,0]=2 6073 B11R1.214 CCCCc1ccc(o1)CN 271570a_100020621405_100000708654 [0,2,0,0,0,0|0,0,0]=2 6074 B11R1.214 CCCCc1ccc(o1)CO 271570a_100020621405_100000246276 [0,2,0,0,0,0|0,0,0]=2 6075 B11R1.214 CCCCc1ccc(s1)C#N 271570a_100020621405_100000737243 [0,2,0,0,0,0|0,1,0]=3 6076 B11R1.214 CCCCc1ccc(s1)C=O 271570a_100020621405_100000179771 [0,2,0,0,0,0|0,1,0]=3 6077 B11R1.214 CCCCc1ccc(s1)CC 271570a_100020621405_100009844052 [0,2,0,0,0,0|0,1,0]=3 6078 B11R1.214 CCCCc1ccc(s1)CN 271570a_100020621405_100000737305 [0,2,0,0,0,0|0,1,0]=3 6079 B11R1.214 CCCCc1ccc(s1)CO 271570a_100020621405_100000246291 [0,2,0,0,0,0|0,1,0]=3 6080 B11R1.214 CCCCc1ccn(n1)CC 271570a_100020621405_100012350556 [0,2,0,0,0,0|2,0,0]=4 6081 B11R1.214 CCCCc1cn(cn1)CC 271570a_100020621405_100010368372 [0,2,0,0,0,0|2,0,0]=4 6082 B11R1.214 CCCCc1cnc(s1)C=O 271570a_100020621405_100000699580 [0,2,0,0,0,0|1,1,0]=4 6083 B11R1.214 CCCCc1cnc(s1)CN 271570a_100020621405_100016991807 [0,2,0,0,0,0|1,1,0]=4 6084 B11R1.214 CCCCc1cnc(s1)CO 271570a_100020621405_100000696694 [0,2,0,0,0,0|1,1,0]=4 6085 B11R1.214 CCCCc1cnc(s1)OC 271570a_100020621405_100000729428 [0,2,0,0,0,0|1,1,0]=4 6086 B11R1.214 CCCCc1coc(c1)C=O 271570a_100020621405_100000747035 [0,2,0,0,0,0|2,0,0]=4 6087 B11R1.214 CCCCc1csc(c1)C#N 271570a_100020621405_100000742465 [0,2,0,0,0,0|2,0,0]=4 6088 B11R1.214 CCCCc1csc(c1)C=O 271570a_100020621405_100000211722 [0,2,0,0,0,0|2,0,0]=4 6089 B11R1.214 CCCCc1csc(c1)CC 271570a_100020621405_100009846239 [0,2,0,0,0,0|2,0,0]=4 6090 B11R1.214 CCCCc1csc(c1)CO 271570a_100020621405_100000238369 [0,2,0,0,0,0|2,0,0]=4 6091 B11R1.214 CCCCc1csc(c1)SC 271570a_100020621405_200010256830 [0,2,0,0,0,0|2,0,0]=4 6092 B11R1.214 CCCCc1csc(n1)C#N 271570a_100020621405_100009819034 [0,2,0,0,0,0|2,0,0]=4 6093 B11R1.214 CCCCc1csc(n1)C=O 271570a_100020621405_100009816814 [0,2,0,0,0,0|2,0,0]=4 6094 B11R1.214 CCCCc1csc(n1)CO 271570a_100020621405_100012000107 [0,2,0,0,0,0|2,0,0]=4 6095 B11R1.214 CCCCc1csc(n1)OC 271570a_100020621405_100000727839 [0,2,0,0,0,0|2,0,0]=4 6096 B11R1.214 CCCCc1csc(n1)SC 271570a_100020621405_100000732701 [0,2,0,0,0,0|2,0,0]=4 6097 B11R1.214 CCCCc1nc(cs1)C#N 271570a_100020621405_100009819631 [0,2,0,0,0,0|1,1,0]=4 6098 B11R1.214 CCCCc1nc(cs1)C=O 271570a_100020621405_100009816748 [0,2,0,0,0,0|1,1,0]=4 6099 B11R1.214 CCCCc1nc(cs1)CO 271570a_100020621405_100009816749 [0,2,0,0,0,0|1,1,0]=4 6100 B11R1.214 CCCCc1nc(no1)CC 270196a_200000212204_100000210183 [0,2,0,0,0,0|2,0,0]=4 6101 B11R1.214 CCCCc1nc(no1)CF 270196a_200000032654_100000210183 [0,2,0,0,0,0|2,0,0]=4 6102 B11R1.214 CCCCc1ncc(s1)C#N 271570a_100020621405_100009819632 [0,2,0,0,0,0|1,1,0]=4 6103 B11R1.214 CCCCc1ncc(s1)C=O 271570a_100020621405_100009814069 [0,2,0,0,0,0|1,1,0]=4 6104 B11R1.214 CCCCc1ncc(s1)CN 271570a_100020621405_100000726991 [0,2,0,0,0,0|1,1,0]=4 6105 B11R1.214 CCCCc1ncc(s1)CO 271570a_100020621405_100009816753 [0,2,0,0,0,0|1,1,0]=4 6106 B11R1.214 CCCCn1cc(cn1)SC 62a_200000210301_200011400202 [0,2,0,0,0,0|2,0,0]=4 6107 B11R1.214 CCCCn1cc(cn1)SC 62a_200011400202_200000210301 [0,2,0,0,0,0|2,0,0]=4 6108 B11R1.214 CCCCn1cc(cn1)S[13CH3] 62a_200011400202_200025704644 [0,2,0,0,0,0|2,0,0]=4 6109 B11R1.214 CCCCn1cc(cn1)S[13CH3] 62a_200025704644_200011400202 [0,2,0,0,0,0|2,0,0]=4 6110 B11R1.214 CCCSc1cc(c[nH]1)C=O 62a_100000210303_100009882863 [0,2,0,0,0,0|2,0,0]=4 6111 B11R1.214 CCCSc1cc(c[nH]1)C=O 62a_100009882863_100000210303 [0,2,0,0,0,0|2,0,0]=4 6112 B11R1.214 CCCSc1cc(cs1)C=O 62a_100000210303_100000737087 [0,2,0,0,0,0|1,1,0]=4 6113 B11R1.214 CCCSc1cc(cs1)C=O 62a_100000737087_100000210303 [0,2,0,0,0,0|1,1,0]=4 6114 B11R1.214 CCCSc1ccc([nH]1)C=O 62a_100000210303_100009875417 [0,2,0,0,0,0|2,0,0]=4 6115 B11R1.214 CCCSc1ccc(o1)C#N 62a_100000210303_100000764468 [0,2,0,0,0,0|1,0,0]=3 6116 B11R1.214 CCCSc1ccc(o1)C=O 62a_100000210303_100000186757 [0,2,0,0,0,0|1,0,0]=3 6117 B11R1.214 CCCSc1ccc(o1)CN 62a_100000210303_100000708654 [0,2,0,0,0,0|1,0,0]=3 6118 B11R1.214 CCCSc1ccc(o1)CO 62a_100000210303_100000246276 [0,2,0,0,0,0|1,0,0]=3 6119 B11R1.214 CCCSc1ccc(o1)CO 62a_100000246276_100000210303 [0,2,0,0,0,0|1,0,0]=3 6120 B11R1.214 CCCSc1ccc(s1)C#N 62a_100000210303_100000737243 [0,2,0,0,0,0|1,1,0]=4 6121 B11R1.214 CCCSc1ccc(s1)C=O 62a_100000179771_100000210303 [0,2,0,0,0,0|1,1,0]=4 6122 B11R1.214 CCCSc1ccc(s1)C=O 62a_100000210303_100000179771 [0,2,0,0,0,0|1,1,0]=4 6123 B11R1.214 CCCSc1ccc(s1)CC 62a_100000210303_100009844052 [0,2,0,0,0,0|1,1,0]=4 6124 B11R1.214 CCCSc1ccc(s1)CC 62a_100009844052_100000210303 [0,2,0,0,0,0|1,1,0]=4 6125 B11R1.214 CCCSc1ccc(s1)CN 62a_100000210303_100000737305 [0,2,0,0,0,0|1,1,0]=4 6126 B11R1.214 CCCSc1ccc(s1)CN 62a_100000737305_100000210303 [0,2,0,0,0,0|1,1,0]=4 6127 B11R1.214 CCCSc1ccc(s1)CO 62a_100000210303_100000246291 [0,2,0,0,0,0|1,1,0]=4 6128 B11R1.214 CCCSc1ccc(s1)CO 62a_100000246291_100000210303 [0,2,0,0,0,0|1,1,0]=4 6129 B11R1.214 CCNCc1cc(no1)CC 207a_100015525214_100000118199 [0,2,0,0,0,0|2,0,0]=4 6130 B11R1.214 CCNCc1cc(no1)CC 2230a_100015525214_100012000519 [0,2,0,0,0,0|2,0,0]=4 6131 B11R1.214 CCNCc1cc(no1)CC 270004a_100015525214_100000118199 [0,2,0,0,0,0|2,0,0]=4 6132 B11R1.214 CCNCc1ccc(o1)C#N 2230a_100015525214_100009822536 [0,2,0,0,0,0|1,0,0]=3 6133 B11R1.214 CCNCc1ccc(o1)C=O 2230a_100015525214_200000079136 [0,2,0,0,0,0|1,0,0]=3 6134 B11R1.214 CCNCc1ccc(o1)CC 207a_100015525214_100000743199 [0,2,0,0,0,0|1,0,0]=3 6135 B11R1.214 CCNCc1ccc(o1)CC 270004a_100015525214_100000743199 [0,2,0,0,0,0|1,0,0]=3 6136 B11R1.214 CCNCc1ccc(o1)CO 207a_100015525214_100000758743 [0,2,0,0,0,0|1,0,0]=3 6137 B11R1.214 CCNCc1ccc(o1)CO 270004a_100015525214_100000758743 [0,2,0,0,0,0|1,0,0]=3 6138 B11R1.214 CCNCc1ccc(s1)C#N 207a_100015525214_100000091605 [0,2,0,0,0,0|1,1,0]=4 6139 B11R1.214 CCNCc1ccc(s1)C#N 2230a_100015525214_100010188212 [0,2,0,0,0,0|1,1,0]=4 6140 B11R1.214 CCNCc1ccc(s1)CC 207a_100015525214_100000746206 [0,2,0,0,0,0|1,1,0]=4 6141 B11R1.214 CCNCc1ccc(s1)CC 270004a_100015525214_100000746206 [0,2,0,0,0,0|1,1,0]=4 6142 B11R1.214 CCNCc1ccc(s1)SC 207a_100015525214_100000720245 [0,2,0,0,0,0|1,1,0]=4 6143 B11R1.214 CCNCc1ccc(s1)SC 270004a_100015525214_100000720245 [0,2,0,0,0,0|1,1,0]=4 6144 B11R1.214 CCOCc1cc(cs1)SC 62a_100011542529_200000210301 [0,2,0,0,0,0|1,1,0]=4 6145 B11R1.214 CCOCc1cc(cs1)SC 62a_200000210301_100011542529 [0,2,0,0,0,0|1,1,0]=4 6146 B11R1.214 CCOCc1cc(cs1)S[13CH3] 62a_100011542529_200025704644 [0,2,0,0,0,0|1,1,0]=4 6147 B11R1.214 CCOCc1cc(cs1)S[13CH3] 62a_200025704644_100011542529 [0,2,0,0,0,0|1,1,0]=4 6148 B11R1.214 CCOCc1cc(no1)CC 34a_100012002152_100000210202 [0,2,0,0,0,0|2,0,0]=4 6149 B11R1.214 CCOCc1cc(no1)CC 34a_100121572206_100012000519 [0,2,0,0,0,0|2,0,0]=4 6150 B11R1.214 CCOCc1ccc(o1)C#N 34a_100121572206_100009822536 [0,2,0,0,0,0|1,0,0]=3 6151 B11R1.214 CCOCc1ccc(o1)C=O 34a_100121572206_200000079136 [0,2,0,0,0,0|1,0,0]=3 6152 B11R1.214 CCOCc1ccc(s1)C#N 34a_100121572206_100010188212 [0,2,0,0,0,0|1,1,0]=4 6153 B11R1.214 CCSCc1cc(no1)CC 62a_100000210202_100012000519 [0,2,0,0,0,0|2,0,0]=4 6154 B11R1.214 CCSCc1cc(no1)CC 62a_100012000519_100000210202 [0,2,0,0,0,0|2,0,0]=4 6155 B11R1.214 CCSCc1ccc(o1)C#N 62a_100000210202_100009822536 [0,2,0,0,0,0|1,0,0]=3 6156 B11R1.214 CCSCc1ccc(o1)C=O 62a_100000210202_200000079136 [0,2,0,0,0,0|1,0,0]=3 6157 B11R1.214 CCSCc1ccc(s1)C#N 62a_100000210202_100010188212 [0,2,0,0,0,0|1,1,0]=4 6158 B11R1.214 COCSc1ccc(o1)C#N 62a_100000766300_100000764468 [0,2,0,0,0,0|2,0,0]=4 6159 B11R1.214 COCSc1ccc(o1)C=O 62a_100000766300_100000186757 [0,2,0,0,0,0|2,0,0]=4 6160 B11R1.214 COCSc1ccc(o1)CN 62a_100000766300_100000708654 [0,2,0,0,0,0|2,0,0]=4 6161 B11R1.214 COCSc1ccc(o1)CO 62a_100000246276_100000766300 [0,2,0,0,0,0|2,0,0]=4 6162 B11R1.214 COCSc1ccc(o1)CO 62a_100000766300_100000246276 [0,2,0,0,0,0|2,0,0]=4 6163 B11R1.214 CSCSc1ccc(o1)C#N 62a_100011218213_100000764468 [0,2,0,0,0,0|2,0,0]=4 6164 B11R1.214 CSCSc1ccc(o1)C=O 62a_100011218213_100000186757 [0,2,0,0,0,0|2,0,0]=4 6165 B11R1.214 CSCSc1ccc(o1)CN 62a_100011218213_100000708654 [0,2,0,0,0,0|2,0,0]=4 6166 B11R1.214 CSCSc1ccc(o1)CO 62a_100000246276_100011218213 [0,2,0,0,0,0|2,0,0]=4 6167 B11R1.214 CSCSc1ccc(o1)CO 62a_100011218213_100000246276 [0,2,0,0,0,0|2,0,0]=4 6168 B11R1.214 N#Cc1ccc(o1)CSCF 62a_100015361967_100009822536 [0,2,0,0,0,0|2,0,0]=4 6169 B11R1.214 N#Cc1ccc(o1)SCCF 62a_100011217306_100000764468 [0,2,0,0,0,0|2,0,0]=4 6170 B11R1.214 N#Cc1ccc(o1)SCCO 62a_100000211926_100000764468 [0,2,0,0,0,0|2,0,0]=4 6171 B11R1.214 NCc1ccc(o1)SCCF 62a_100011217306_100000708654 [0,2,0,0,0,0|2,0,0]=4 6172 B11R1.214 NCc1ccc(o1)SCCO 62a_100000211926_100000708654 [0,2,0,0,0,0|2,0,0]=4 6173 B11R1.214 O=Cc1ccc(o1)CSCF 62a_100015361967_200000079136 [0,2,0,0,0,0|2,0,0]=4 6174 B11R1.214 O=Cc1ccc(o1)SCCF 62a_100011217306_100000186757 [0,2,0,0,0,0|2,0,0]=4 6175 B11R1.214 O=Cc1ccc(o1)SCCO 62a_100000211926_100000186757 [0,2,0,0,0,0|2,0,0]=4 6176 B11R1.214 OCCSc1ccc(o1)CO 62a_100000211926_100000246276 [0,2,0,0,0,0|2,0,0]=4 6177 B11R1.214 OCCSc1ccc(o1)CO 62a_100000246276_100000211926 [0,2,0,0,0,0|2,0,0]=4 6178 B11R1.214 OCc1ccc(o1)SCCF 62a_100000246276_100011217306 [0,2,0,0,0,0|2,0,0]=4 6179 B11R1.214 OCc1ccc(o1)SCCF 62a_100011217306_100000246276 [0,2,0,0,0,0|2,0,0]=4 6180 B11R1.230 CCCCc1cc(nn1C)C 271570a_100020621405_100009818511 [0,2,0,0,0,0|2,0,0]=4 6181 B11R1.230 CCCCc1cc(nn1C)N 271570a_100020621405_100116209741 [0,2,0,0,0,0|2,0,0]=4 6182 B11R1.230 CCCCc1cc(sc1C)C 271570a_100020621405_100000688054 [0,2,0,0,0,0|2,0,0]=4 6183 B11R1.230 CCCCc1cc(sc1Cl)Cl 271570a_100020621405_100010244177 [0,2,0,0,0,0|2,0,0]=4 6184 B11R1.230 CCCCc1nc(cn1C)C 271570a_100020621405_100009816808 [0,2,0,0,0,0|2,0,0]=4 6185 B11R1.230 CCCCc1nc(sc1C)C 271570a_100020621405_100010270876 [0,2,0,0,0,0|2,0,0]=4 6186 B11R1.230 CCCCc1nc(sc1C)N 271570a_100020621405_100009817509 [0,2,0,0,0,0|2,0,0]=4 6187 B11R1.230 CCCCc1nn(cc1C)C 271570a_100020621405_100012644376 [0,2,0,0,0,0|2,0,0]=4 6188 B11R1.230 CCCCc1sc(cc1C)C 271570a_100020621405_100000689295 [0,2,0,0,0,0|0,1,0]=3 6189 B11R1.230 CCCCc1sc(nc1C)C 271570a_100020621405_100009814099 [0,2,0,0,0,0|1,1,0]=4 6190 B11R1.230 CCCSc1sc(cc1C)C 62a_100000210303_100000689295 [0,2,0,0,0,0|1,1,0]=4 6191 B11R1.230 CCCSc1sc(cc1C)C 62a_100000689295_100000210303 [0,2,0,0,0,0|1,1,0]=4 6192 B11R1.230 CCNCc1oc(nc1C)C 207a_100015525214_100000734261 [0,2,0,0,0,0|2,0,0]=4 6193 B11R1.230 CCNCc1sc(cc1Br)C 207a_100015525214_100011361552 [0,2,0,0,0,0|1,1,0]=4 6194 B11R1.230 CCNCc1sc(cc1Br)C 270004a_100015525214_100011361552 [0,2,0,0,0,0|1,1,0]=4 6195 B11R1.230 CCNCc1sc(cc1Br)Cl 207a_100015525214_100021366026 [0,2,0,0,0,0|1,1,0]=4 6196 B11R1.230 CCNCc1sc(cc1Br)Cl 270004a_100015525214_100021366026 [0,2,0,0,0,0|1,1,0]=4 6197 B11R1.230 CCNCc1sc(cc1C)Br 207a_100015525214_100010221198 [0,2,0,0,0,0|1,1,0]=4 6198 B11R1.230 CCNCc1sc(cc1C)Br 270004a_100015525214_100010221198 [0,2,0,0,0,0|1,1,0]=4 6199 B11R1.230 CCNCc1sc(cc1Cl)Br 207a_100015525214_100015463987 [0,2,0,0,0,0|1,1,0]=4 6200 B11R1.230 CCNCc1sc(cc1Cl)Br 270004a_100015525214_100015463987 [0,2,0,0,0,0|1,1,0]=4 6201 B11R1.230 CCSCc1oc(=O)oc1C 62a_100000210202_100000068490 [0,2,0,0,0,0|2,0,0]=4 6202 B11R1.231 CCCCc1cc(c(s1)C)C 271570a_100020621405_100009850898 [0,2,0,0,0,0|0,1,0]=3 6203 B11R1.231 CCCCc1cc(n(n1)C)C 271570a_100020621405_100012001299 [0,2,0,0,0,0|2,0,0]=4 6204 B11R1.231 CCCCc1cc(n(n1)C)N 271570a_100020621405_100000734454 [0,2,0,0,0,0|2,0,0]=4 6205 B11R1.231 CCCCc1cn(c(n1)C)C 271570a_100020621405_100000684932 [0,2,0,0,0,0|2,0,0]=4 6206 B11R1.231 CCCCc1cn(c(n1)N)C 271570a_100020621405_100025756272 [0,2,0,0,0,0|2,0,0]=4 6207 B11R1.231 CCCCc1nc(c(s1)C)C 271570a_100020621405_100000765934 [0,2,0,0,0,0|1,1,0]=4 6208 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,2,0,0,0,0|1,0,1]=4 6209 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,2,0,0,0,0|1,0,1]=4 6210 B11R1.231 CCCSc1cc(c(s1)C)C 62a_100000210303_100009850898 [0,2,0,0,0,0|1,1,0]=4 6211 B11R1.231 CCCSc1cc(c(s1)C)C 62a_100009850898_100000210303 [0,2,0,0,0,0|1,1,0]=4 6212 B11R1.231 CCNCc1cc(c(o1)Br)Br 207a_100015525214_100000188521 [0,2,0,0,0,0|1,0,0]=3 6213 B11R1.231 CCNCc1cc(c(o1)Br)Br 270004a_100015525214_100000188521 [0,2,0,0,0,0|1,0,0]=3 6214 B11R1.231 CCNCc1cc(c(s1)Br)Br 207a_100015525214_100000763650 [0,2,0,0,0,0|1,1,0]=4 6215 B11R1.231 CCNCc1cc(c(s1)Br)Br 270004a_100015525214_100000763650 [0,2,0,0,0,0|1,1,0]=4 6216 B11R1.231 CCNCc1cc(c(s1)Br)C 207a_100015525214_100000761930 [0,2,0,0,0,0|1,1,0]=4 6217 B11R1.231 CCNCc1cc(c(s1)Br)C 270004a_100015525214_100000761930 [0,2,0,0,0,0|1,1,0]=4 6218 B11R1.231 CCNCc1cc(c(s1)C)Br 207a_100015525214_100000708457 [0,2,0,0,0,0|1,1,0]=4 6219 B11R1.231 CCNCc1cc(c(s1)C)Br 270004a_100015525214_100000708457 [0,2,0,0,0,0|1,1,0]=4 6220 B11R1.231 CCNCc1cc(c(s1)C)C 207a_100015525214_100011830369 [0,2,0,0,0,0|1,1,0]=4 6221 B11R1.231 CCNCc1cc(c(s1)C)C 270004a_100015525214_100011830369 [0,2,0,0,0,0|1,1,0]=4 6222 B11R1.4 BrCCCOCc1c[nH]cn1 34a_100011217188_100000707719 [0,2,0,0,0,0|2,0,0]=4 6223 B11R1.4 BrCCCOCc1ccn[nH]1 34a_100011217188_100000728653 [0,2,0,0,0,0|2,0,0]=4 6224 B11R1.4 BrCCCOCc1ccon1 34a_100011217188_100000234950 [0,2,0,0,0,0|2,0,0]=4 6225 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,2,0,0,0,0|2,0,0]=4 6226 B11R1.4 BrCCCOCc1cncs1 34a_100011217188_100015185245 [0,2,0,0,0,0|1,1,0]=4 6227 B11R1.4 BrCCCOCc1cscn1 34a_100011217188_100000205941 [0,2,0,0,0,0|2,0,0]=4 6228 B11R1.4 BrCCCOCc1ncc[nH]1 34a_100011217188_100016991755 [0,2,0,0,0,0|2,0,0]=4 6229 B11R1.4 BrCCCOCc1ncco1 34a_100011217188_103436540062 [0,2,0,0,0,0|1,0,0]=3 6230 B11R1.4 BrCCCOCc1nccs1 34a_100011217188_100015184050 [0,2,0,0,0,0|1,1,0]=4 6231 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,2,0,0,0,0|0,1,0]=3 6232 B11R1.4 BrCCOCCn1cccn1 34a_100000211926_100015204718 [0,2,0,0,0,0|2,0,0]=4 6233 B11R1.4 C#CCCCSc1ccco1 62a_100009814098_100011215417 [0,2,0,0,0,0|0,0,1]=3 6234 B11R1.4 C#CCCCSc1ccco1 62a_100011215417_100009814098 [0,2,0,0,0,0|0,0,1]=3 6235 B11R1.4 C#CCCCSc1cccs1 62a_100011215356_100011215417 [0,2,0,0,0,0|0,1,1]=4 6236 B11R1.4 C#CCCCSc1cccs1 62a_100011215417_100011215356 [0,2,0,0,0,0|0,1,1]=4 6237 B11R1.4 C#CCCCSc1cnco1 62a_100011215417_100020591547 [0,2,0,0,0,0|1,0,1]=4 6238 B11R1.4 C#CCCCSc1cnco1 62a_100020591547_100011215417 [0,2,0,0,0,0|1,0,1]=4 6239 B11R1.4 C#CCCCSc1ncco1 62a_100011215417_100011787736 [0,2,0,0,0,0|1,0,1]=4 6240 B11R1.4 C#CCCCSc1ncco1 62a_100011787736_100011215417 [0,2,0,0,0,0|1,0,1]=4 6241 B11R1.4 C#CCCNCc1ccco1 2230a_100000185738_100000688953 [0,2,0,0,0,0|0,0,1]=3 6242 B11R1.4 C#CCCNCc1ccco1 34a_100000185738_100000688953 [0,2,0,0,0,0|0,0,1]=3 6243 B11R1.4 C#CCCNCc1cccs1 2230a_100000211653_100000688953 [0,2,0,0,0,0|0,1,1]=4 6244 B11R1.4 C#CCCNCc1ncco1 2230a_100016994969_100000688953 [0,2,0,0,0,0|1,0,1]=4 6245 B11R1.4 C#CCCNCc1ncco1 34a_100000755551_103436540062 [0,2,0,0,0,0|1,0,1]=4 6246 B11R1.4 C#CCCOCc1ccco1 34a_100000210059_100000688953 [0,2,0,0,0,0|0,0,1]=3 6247 B11R1.4 C#CCCOCc1cccs1 34a_100000211240_100000688953 [0,2,0,0,0,0|0,1,1]=4 6248 B11R1.4 C#CCCOCc1ccno1 34a_100000740478_100000688953 [0,2,0,0,0,0|1,0,1]=4 6249 B11R1.4 C#CCCOCc1ncco1 34a_100000062594_100000688953 [0,2,0,0,0,0|1,0,1]=4 6250 B11R1.4 C#CCCOCc1ncco1 34a_100011215631_103436540062 [0,2,0,0,0,0|1,0,1]=4 6251 B11R1.4 C#CCCSCc1ncco1 62a_100000688953_103436540062 [0,2,0,0,0,0|1,0,1]=4 6252 B11R1.4 C#CCCSCc1ncco1 62a_103436540062_100000688953 [0,2,0,0,0,0|1,0,1]=4 6253 B11R1.4 C#CCNCCc1ccco1 2230a_100000694680_100000038162 [0,2,0,0,0,0|0,0,1]=3 6254 B11R1.4 C#CCNCCc1ccco1 34a_100000694680_100000184674 [0,2,0,0,0,0|0,0,1]=3 6255 B11R1.4 C#CCNCCc1cccs1 2230a_100000203755_100000038162 [0,2,0,0,0,0|0,1,1]=4 6256 B11R1.4 C#CCNCCc1cccs1 34a_100000203755_100000184674 [0,2,0,0,0,0|0,1,1]=4 6257 B11R1.4 C#CCNCCc1cccs1 34a_100000212058_100000748579 [0,2,0,0,0,0|0,1,1]=4 6258 B11R1.4 C#CCOCCc1cccs1 34a_100000210247_100000748579 [0,2,0,0,0,0|0,1,1]=4 6259 B11R1.4 C#CCOCCc1cccs1 34a_100011216825_100000184674 [0,2,0,0,0,0|0,1,1]=4 6260 B11R1.4 C#CCOCCc1cccs1 7a_100011216825_100000038162 [0,2,0,0,0,0|0,1,1]=4 6261 B11R1.4 C#CCSCCc1cccs1 62a_100000038162_100000748579 [0,2,0,0,0,0|0,1,1]=4 6262 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [0,2,0,0,0,0|0,0,1]=3 6263 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,2,0,0,0,0|0,0,1]=3 6264 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [0,2,0,0,0,0|0,1,1]=4 6265 B11R1.4 C/C=C/COCc1ccno1 34a_100000740478_100102629194 [0,2,0,0,0,0|1,0,1]=4 6266 B11R1.4 C/C=C/COCc1ncco1 34a_100000062594_100102629194 [0,2,0,0,0,0|1,0,1]=4 6267 B11R1.4 C/C=C/COCc1ncco1 34a_100016270725_103436540062 [0,2,0,0,0,0|1,0,1]=4 6268 B11R1.4 C/C=C/CSCc1ncco1 62a_100102629194_103436540062 [0,2,0,0,0,0|1,0,1]=4 6269 B11R1.4 C/C=C/CSCc1ncco1 62a_103436540062_100102629194 [0,2,0,0,0,0|1,0,1]=4 6270 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [0,2,0,0,0,0|0,0,1]=3 6271 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [0,2,0,0,0,0|0,0,1]=3 6272 B11R1.4 C=CCCCSc1cccs1 62a_100011215356_100000757094 [0,2,0,0,0,0|0,1,1]=4 6273 B11R1.4 C=CCCCSc1cccs1 62a_100011713584_100011215356 [0,2,0,0,0,0|0,1,1]=4 6274 B11R1.4 C=CCCCSc1cnco1 62a_100011713584_100020591547 [0,2,0,0,0,0|1,0,1]=4 6275 B11R1.4 C=CCCCSc1cnco1 62a_100020591547_100000757094 [0,2,0,0,0,0|1,0,1]=4 6276 B11R1.4 C=CCCCSc1ncco1 62a_100011713584_100011787736 [0,2,0,0,0,0|1,0,1]=4 6277 B11R1.4 C=CCCCSc1ncco1 62a_100011787736_100000757094 [0,2,0,0,0,0|1,0,1]=4 6278 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [0,2,0,0,0,0|0,0,1]=3 6279 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [0,2,0,0,0,0|0,0,1]=3 6280 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [0,2,0,0,0,0|0,0,1]=3 6281 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [0,2,0,0,0,0|0,0,1]=3 6282 B11R1.4 C=CCCNCc1cccs1 207a_100015191253_100000209959 [0,2,0,0,0,0|0,1,1]=4 6283 B11R1.4 C=CCCNCc1cccs1 2230a_100000211653_100000754431 [0,2,0,0,0,0|0,1,1]=4 6284 B11R1.4 C=CCCNCc1cccs1 270004a_100015191253_100000209959 [0,2,0,0,0,0|0,1,1]=4 6285 B11R1.4 C=CCCNCc1cnco1 270004a_100015191253_100000064291 [0,2,0,0,0,0|1,0,1]=4 6286 B11R1.4 C=CCCNCc1ncco1 2230a_100015191253_103436540062 [0,2,0,0,0,0|1,0,1]=4 6287 B11R1.4 C=CCCNCc1ncco1 2230a_100016994969_100000754431 [0,2,0,0,0,0|1,0,1]=4 6288 B11R1.4 C=CCCNCc1ncco1 270004a_100015191253_100000064290 [0,2,0,0,0,0|1,0,1]=4 6289 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [0,2,0,0,0,0|0,0,1]=3 6290 B11R1.4 C=CCCOCc1cccs1 34a_100000211240_100000754431 [0,2,0,0,0,0|0,1,1]=4 6291 B11R1.4 C=CCCOCc1ccno1 34a_100000740478_100000754431 [0,2,0,0,0,0|1,0,1]=4 6292 B11R1.4 C=CCCOCc1ncco1 34a_100000062594_100000754431 [0,2,0,0,0,0|1,0,1]=4 6293 B11R1.4 C=CCCOCc1ncco1 34a_100011205117_103436540062 [0,2,0,0,0,0|1,0,1]=4 6294 B11R1.4 C=CCCSCc1ncco1 62a_100000754431_103436540062 [0,2,0,0,0,0|1,0,1]=4 6295 B11R1.4 C=CCCSCc1ncco1 62a_103436540062_100000754431 [0,2,0,0,0,0|1,0,1]=4 6296 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [0,2,0,0,0,0|0,0,1]=3 6297 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [0,2,0,0,0,0|0,0,1]=3 6298 B11R1.4 C=CCNCCc1cccs1 2230a_100000203755_100000210623 [0,2,0,0,0,0|0,1,1]=4 6299 B11R1.4 C=CCNCCc1cccs1 2230a_100020586998_100000748579 [0,2,0,0,0,0|0,1,1]=4 6300 B11R1.4 C=CCNCCc1cccs1 34a_100000203755_100015514636 [0,2,0,0,0,0|0,1,1]=4 6301 B11R1.4 C=CCOCCc1cccs1 34a_100011216825_100015514636 [0,2,0,0,0,0|0,1,1]=4 6302 B11R1.4 C=CCOCCc1cccs1 34a_200000210373_100000748579 [0,2,0,0,0,0|0,1,1]=4 6303 B11R1.4 C=CCOCCc1cccs1 7a_100011216825_100015514636 [0,2,0,0,0,0|0,1,1]=4 6304 B11R1.4 C=CCSCCc1cccs1 62a_100000210623_100000748579 [0,2,0,0,0,0|0,1,1]=4 6305 B11R1.4 C=CCSCCc1cccs1 62a_100000748579_100000210623 [0,2,0,0,0,0|0,1,1]=4 6306 B11R1.4 C=COCCSc1ccco1 62a_100000039644_100009814098 [0,2,0,0,0,0|0,0,2]=4 6307 B11R1.4 C=COCCSc1ccco1 62a_100009814098_100000039644 [0,2,0,0,0,0|0,0,2]=4 6308 B11R1.4 CC#CCNCc1ccco1 2230a_100000185738_100000748600 [0,2,0,0,0,0|0,0,1]=3 6309 B11R1.4 CC#CCNCc1ccco1 34a_100000185738_100000748600 [0,2,0,0,0,0|0,0,1]=3 6310 B11R1.4 CC#CCNCc1cccs1 2230a_100000211653_100000748600 [0,2,0,0,0,0|0,1,1]=4 6311 B11R1.4 CC#CCNCc1ncco1 2230a_100000685387_103436540062 [0,2,0,0,0,0|1,0,1]=4 6312 B11R1.4 CC#CCNCc1ncco1 2230a_100016994969_100000748600 [0,2,0,0,0,0|1,0,1]=4 6313 B11R1.4 CC#CCNCc1ncco1 34a_100000685387_103436540062 [0,2,0,0,0,0|1,0,1]=4 6314 B11R1.4 CC#CCOCc1ccco1 34a_100000210059_100000748600 [0,2,0,0,0,0|0,0,1]=3 6315 B11R1.4 CC#CCOCc1cccs1 34a_100000211240_100000748600 [0,2,0,0,0,0|0,1,1]=4 6316 B11R1.4 CC#CCOCc1ccno1 34a_100000740478_100000748600 [0,2,0,0,0,0|1,0,1]=4 6317 B11R1.4 CC#CCOCc1ncco1 34a_100000062594_100000748600 [0,2,0,0,0,0|1,0,1]=4 6318 B11R1.4 CC#CCOCc1ncco1 34a_100000761923_103436540062 [0,2,0,0,0,0|1,0,1]=4 6319 B11R1.4 CC#CCSCc1ncco1 62a_100000748600_103436540062 [0,2,0,0,0,0|1,0,1]=4 6320 B11R1.4 CC#CCSCc1ncco1 62a_103436540062_100000748600 [0,2,0,0,0,0|1,0,1]=4 6321 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [0,2,0,0,0,0|0,0,1]=3 6322 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [0,2,0,0,0,0|0,0,1]=3 6323 B11R1.4 CC/C=C\CSc1cccs1 62a_100011215356_100103147603 [0,2,0,0,0,0|0,1,1]=4 6324 B11R1.4 CC/C=C\CSc1cccs1 62a_100103147603_100011215356 [0,2,0,0,0,0|0,1,1]=4 6325 B11R1.4 CC/C=C\CSc1cnco1 62a_100020591547_100103147603 [0,2,0,0,0,0|1,0,1]=4 6326 B11R1.4 CC/C=C\CSc1cnco1 62a_100103147603_100020591547 [0,2,0,0,0,0|1,0,1]=4 6327 B11R1.4 CC/C=C\CSc1ncco1 62a_100011787736_100103147603 [0,2,0,0,0,0|1,0,1]=4 6328 B11R1.4 CC/C=C\CSc1ncco1 62a_100103147603_100011787736 [0,2,0,0,0,0|1,0,1]=4 6329 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [0,2,0,0,0,0|0,0,1]=3 6330 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [0,2,0,0,0,0|0,0,1]=3 6331 B11R1.4 CC=CCNCc1cccs1 2230a_100000211653_100000070051 [0,2,0,0,0,0|0,1,1]=4 6332 B11R1.4 CC=CCNCc1ncco1 2230a_100016994969_100000070051 [0,2,0,0,0,0|1,0,1]=4 6333 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,2,0,0,0,0|0,0,1]=3 6334 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [0,2,0,0,0,0|0,1,1]=4 6335 B11R1.4 CC=CCOCc1ccno1 34a_100000740478_100000070051 [0,2,0,0,0,0|1,0,1]=4 6336 B11R1.4 CC=CCOCc1ncco1 34a_100000062594_100000070051 [0,2,0,0,0,0|1,0,1]=4 6337 B11R1.4 CC=CCSCc1ncco1 62a_100000070051_103436540062 [0,2,0,0,0,0|1,0,1]=4 6338 B11R1.4 CC=CCSCc1ncco1 62a_103436540062_100000070051 [0,2,0,0,0,0|1,0,1]=4 6339 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [0,2,0,0,0,0|0,0,1]=3 6340 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [0,2,0,0,0,0|0,0,1]=3 6341 B11R1.4 CCC#CCSc1cccs1 62a_100009813939_100011215356 [0,2,0,0,0,0|0,1,1]=4 6342 B11R1.4 CCC#CCSc1cccs1 62a_100011215356_100009813939 [0,2,0,0,0,0|0,1,1]=4 6343 B11R1.4 CCC#CCSc1cnco1 62a_100009813939_100020591547 [0,2,0,0,0,0|1,0,1]=4 6344 B11R1.4 CCC#CCSc1cnco1 62a_100020591547_100009813939 [0,2,0,0,0,0|1,0,1]=4 6345 B11R1.4 CCC#CCSc1ncco1 62a_100009813939_100011787736 [0,2,0,0,0,0|1,0,1]=4 6346 B11R1.4 CCC#CCSc1ncco1 62a_100011787736_100009813939 [0,2,0,0,0,0|1,0,1]=4 6347 B11R1.4 CCCCC=Cc1c[nH]cn1 271570a_100016275911_100000756875 [0,2,0,0,0,0|2,0,0]=4 6348 B11R1.4 CCCCC=Cc1cc[nH]n1 271570a_100016275911_100000062575 [0,2,0,0,0,0|2,0,0]=4 6349 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,2,0,0,0,0|0,0,0]=2 6350 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,2,0,0,0,0|0,1,0]=3 6351 B11R1.4 CCCCC=Cc1ccoc1 271570a_100016275911_100011215275 [0,2,0,0,0,0|2,0,0]=4 6352 B11R1.4 CCCCC=Cc1ccsc1 271570a_100016275911_100000738268 [0,2,0,0,0,0|2,0,0]=4 6353 B11R1.4 CCCCC=Cc1ccsn1 271570a_100016275911_100009818082 [0,2,0,0,0,0|2,0,0]=4 6354 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [0,2,0,0,0,0|1,0,0]=3 6355 B11R1.4 CCCCC=Cc1cncs1 271570a_100016275911_100011934649 [0,2,0,0,0,0|1,1,0]=4 6356 B11R1.4 CCCCC=Cc1cscn1 271570a_100016275911_100000751502 [0,2,0,0,0,0|2,0,0]=4 6357 B11R1.4 CCCCC=Cc1ncc[nH]1 271570a_100016275911_100025796157 [0,2,0,0,0,0|2,0,0]=4 6358 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [0,2,0,0,0,0|1,0,0]=3 6359 B11R1.4 CCCCC=Cc1nccs1 271570a_100016275911_100000211983 [0,2,0,0,0,0|1,1,0]=4 6360 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,2,0,0,0,0|2,0,0]=4 6361 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,2,0,0,0,0|2,0,0]=4 6362 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [0,2,0,0,0,0|2,0,0]=4 6363 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [0,2,0,0,0,0|2,0,0]=4 6364 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [0,2,0,0,0,0|2,0,0]=4 6365 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [0,2,0,0,0,0|2,0,0]=4 6366 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,2,0,0,0,0|0,0,0]=2 6367 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,2,0,0,0,0|0,0,0]=2 6368 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,2,0,0,0,0|0,1,0]=3 6369 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,2,0,0,0,0|0,1,0]=3 6370 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,2,0,0,0,0|2,0,0]=4 6371 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,2,0,0,0,0|2,0,0]=4 6372 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [0,2,0,0,0,0|2,0,0]=4 6373 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [0,2,0,0,0,0|2,0,0]=4 6374 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,2,0,0,0,0|2,0,0]=4 6375 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,2,0,0,0,0|2,0,0]=4 6376 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [0,2,0,0,0,0|2,0,0]=4 6377 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [0,2,0,0,0,0|2,0,0]=4 6378 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,2,0,0,0,0|1,0,0]=3 6379 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,2,0,0,0,0|1,0,0]=3 6380 B11R1.4 CCCCCSc1cncs1 62a_100000210326_100011934649 [0,2,0,0,0,0|1,1,0]=4 6381 B11R1.4 CCCCCSc1cncs1 62a_100011934649_100000210326 [0,2,0,0,0,0|1,1,0]=4 6382 B11R1.4 CCCCCSc1cscn1 62a_100000210326_100000751502 [0,2,0,0,0,0|2,0,0]=4 6383 B11R1.4 CCCCCSc1cscn1 62a_100000751502_100000210326 [0,2,0,0,0,0|2,0,0]=4 6384 B11R1.4 CCCCCSc1ncc[nH]1 62a_100000210326_100025796157 [0,2,0,0,0,0|2,0,0]=4 6385 B11R1.4 CCCCCSc1ncc[nH]1 62a_100025796157_100000210326 [0,2,0,0,0,0|2,0,0]=4 6386 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [0,2,0,0,0,0|1,0,0]=3 6387 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [0,2,0,0,0,0|1,0,0]=3 6388 B11R1.4 CCCCCSc1nccs1 62a_100000210326_100000211983 [0,2,0,0,0,0|1,1,0]=4 6389 B11R1.4 CCCCCSc1nccs1 62a_100000211983_100000210326 [0,2,0,0,0,0|1,1,0]=4 6390 B11R1.4 CCCCNCc1c[nH]cn1 2230a_100000102301_100000707719 [0,2,0,0,0,0|2,0,0]=4 6391 B11R1.4 CCCCNCc1cc[nH]n1 207a_100000102301_100000738523 [0,2,0,0,0,0|2,0,0]=4 6392 B11R1.4 CCCCNCc1cc[nH]n1 270004a_100000102301_100000738523 [0,2,0,0,0,0|2,0,0]=4 6393 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,2,0,0,0,0|0,0,0]=2 6394 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,2,0,0,0,0|0,0,0]=2 6395 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,2,0,0,0,0|0,0,0]=2 6396 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,2,0,0,0,0|0,0,0]=2 6397 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,2,0,0,0,0|0,1,0]=3 6398 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,2,0,0,0,0|0,1,0]=3 6399 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,2,0,0,0,0|0,1,0]=3 6400 B11R1.4 CCCCNCc1ccn[nH]1 2230a_100000102301_100000728653 [0,2,0,0,0,0|2,0,0]=4 6401 B11R1.4 CCCCNCc1ccn[nH]1 7a_106832991798_100000728653 [0,2,0,0,0,0|2,0,0]=4 6402 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [0,2,0,0,0,0|2,0,0]=4 6403 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [0,2,0,0,0,0|2,0,0]=4 6404 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [0,2,0,0,0,0|2,0,0]=4 6405 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [0,2,0,0,0,0|2,0,0]=4 6406 B11R1.4 CCCCNCc1ccon1 2230a_100000102301_100000234950 [0,2,0,0,0,0|2,0,0]=4 6407 B11R1.4 CCCCNCc1ccon1 7a_106832991798_100000234950 [0,2,0,0,0,0|2,0,0]=4 6408 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,2,0,0,0,0|2,0,0]=4 6409 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,2,0,0,0,0|2,0,0]=4 6410 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,2,0,0,0,0|2,0,0]=4 6411 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,2,0,0,0,0|2,0,0]=4 6412 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,2,0,0,0,0|2,0,0]=4 6413 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,2,0,0,0,0|2,0,0]=4 6414 B11R1.4 CCCCNCc1cnc[nH]1 207a_100000102301_100000742939 [0,2,0,0,0,0|2,0,0]=4 6415 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [0,2,0,0,0,0|1,0,0]=3 6416 B11R1.4 CCCCNCc1cncs1 207a_100000102301_100000749870 [0,2,0,0,0,0|1,1,0]=4 6417 B11R1.4 CCCCNCc1cncs1 2230a_100000102301_100015185245 [0,2,0,0,0,0|1,1,0]=4 6418 B11R1.4 CCCCNCc1cncs1 2230a_100016987365_100000210211 [0,2,0,0,0,0|1,1,0]=4 6419 B11R1.4 CCCCNCc1cncs1 270004a_100000102301_100000749870 [0,2,0,0,0,0|1,1,0]=4 6420 B11R1.4 CCCCNCc1cncs1 7a_106832991798_100015185245 [0,2,0,0,0,0|1,1,0]=4 6421 B11R1.4 CCCCNCc1cocn1 270004a_100000102301_100000050382 [0,2,0,0,0,0|2,0,0]=4 6422 B11R1.4 CCCCNCc1cscn1 207a_100000102301_100000743575 [0,2,0,0,0,0|2,0,0]=4 6423 B11R1.4 CCCCNCc1cscn1 2230a_100000102301_100000205941 [0,2,0,0,0,0|2,0,0]=4 6424 B11R1.4 CCCCNCc1cscn1 2230a_100015185402_100000210211 [0,2,0,0,0,0|2,0,0]=4 6425 B11R1.4 CCCCNCc1cscn1 270004a_100000102301_100000743575 [0,2,0,0,0,0|2,0,0]=4 6426 B11R1.4 CCCCNCc1cscn1 7a_106832991798_100000205941 [0,2,0,0,0,0|2,0,0]=4 6427 B11R1.4 CCCCNCc1ncc[nH]1 207a_100000102301_100000743867 [0,2,0,0,0,0|2,0,0]=4 6428 B11R1.4 CCCCNCc1ncc[nH]1 2230a_100000102301_100016991755 [0,2,0,0,0,0|2,0,0]=4 6429 B11R1.4 CCCCNCc1ncc[nH]1 7a_106832991798_100000753453 [0,2,0,0,0,0|2,0,0]=4 6430 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [0,2,0,0,0,0|1,0,0]=3 6431 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [0,2,0,0,0,0|1,0,0]=3 6432 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [0,2,0,0,0,0|1,0,0]=3 6433 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [0,2,0,0,0,0|1,0,0]=3 6434 B11R1.4 CCCCNCc1nccs1 207a_100000102301_100000750902 [0,2,0,0,0,0|1,1,0]=4 6435 B11R1.4 CCCCNCc1nccs1 2230a_100000102301_100015184050 [0,2,0,0,0,0|1,1,0]=4 6436 B11R1.4 CCCCNCc1nccs1 2230a_100000740555_100000210211 [0,2,0,0,0,0|1,1,0]=4 6437 B11R1.4 CCCCNCc1nccs1 270004a_100000102301_100000750902 [0,2,0,0,0,0|1,1,0]=4 6438 B11R1.4 CCCCNCc1nccs1 7a_106832991798_100015184050 [0,2,0,0,0,0|1,1,0]=4 6439 B11R1.4 CCCCNN=C1C=CCC1 4a_100025702795_100000239507 [0,2,0,0,0,0|1,0,1]=4 6440 B11R1.4 CCCCNN=C1CC=CC1 4a_100025702795_100000766571 [0,2,0,0,0,0|1,0,1]=4 6441 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [0,2,0,0,0,0|2,0,0]=4 6442 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,2,0,0,0,0|0,0,0]=2 6443 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,2,0,0,0,0|0,1,0]=3 6444 B11R1.4 CCCCOCc1ccn[nH]1 34a_100000210227_100000728653 [0,2,0,0,0,0|2,0,0]=4 6445 B11R1.4 CCCCOCc1ccn[nH]1 7a_100000210227_100000728653 [0,2,0,0,0,0|2,0,0]=4 6446 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,2,0,0,0,0|1,0,0]=3 6447 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,2,0,0,0,0|2,0,0]=4 6448 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [0,2,0,0,0,0|2,0,0]=4 6449 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [0,2,0,0,0,0|2,0,0]=4 6450 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,2,0,0,0,0|2,0,0]=4 6451 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,2,0,0,0,0|2,0,0]=4 6452 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,2,0,0,0,0|2,0,0]=4 6453 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [0,2,0,0,0,0|1,1,0]=4 6454 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [0,2,0,0,0,0|1,1,0]=4 6455 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [0,2,0,0,0,0|2,0,0]=4 6456 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [0,2,0,0,0,0|2,0,0]=4 6457 B11R1.4 CCCCOCc1ncc[nH]1 34a_100000210227_100016991755 [0,2,0,0,0,0|2,0,0]=4 6458 B11R1.4 CCCCOCc1ncc[nH]1 7a_100000210227_100000753453 [0,2,0,0,0,0|2,0,0]=4 6459 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [0,2,0,0,0,0|1,0,0]=3 6460 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [0,2,0,0,0,0|1,0,0]=3 6461 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [0,2,0,0,0,0|1,0,0]=3 6462 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [0,2,0,0,0,0|1,1,0]=4 6463 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [0,2,0,0,0,0|1,1,0]=4 6464 B11R1.4 CCCCOCn1cccn1 34a_100000731028_100000210210 [0,2,0,0,0,0|2,0,0]=4 6465 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000210211_100000707719 [0,2,0,0,0,0|2,0,0]=4 6466 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000707719_100000210210 [0,2,0,0,0,0|2,0,0]=4 6467 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000210211_100000728653 [0,2,0,0,0,0|2,0,0]=4 6468 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000728653_100000210210 [0,2,0,0,0,0|2,0,0]=4 6469 B11R1.4 CCCCSCc1ccon1 62a_100000210211_100000234950 [0,2,0,0,0,0|2,0,0]=4 6470 B11R1.4 CCCCSCc1ccon1 62a_100000234950_100000210210 [0,2,0,0,0,0|2,0,0]=4 6471 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,2,0,0,0,0|2,0,0]=4 6472 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,2,0,0,0,0|2,0,0]=4 6473 B11R1.4 CCCCSCc1cncs1 62a_100000210211_100015185245 [0,2,0,0,0,0|1,1,0]=4 6474 B11R1.4 CCCCSCc1cncs1 62a_100015185245_100000210210 [0,2,0,0,0,0|1,1,0]=4 6475 B11R1.4 CCCCSCc1cscn1 62a_100000205941_100000210210 [0,2,0,0,0,0|2,0,0]=4 6476 B11R1.4 CCCCSCc1cscn1 62a_100000210211_100000205941 [0,2,0,0,0,0|2,0,0]=4 6477 B11R1.4 CCCCSCc1ncc[nH]1 62a_100000210211_100016991755 [0,2,0,0,0,0|2,0,0]=4 6478 B11R1.4 CCCCSCc1ncc[nH]1 62a_100016991755_100000210210 [0,2,0,0,0,0|2,0,0]=4 6479 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [0,2,0,0,0,0|1,0,0]=3 6480 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [0,2,0,0,0,0|1,0,0]=3 6481 B11R1.4 CCCCSCc1nccs1 62a_100000210211_100015184050 [0,2,0,0,0,0|1,1,0]=4 6482 B11R1.4 CCCCSCc1nccs1 62a_100015184050_100000210210 [0,2,0,0,0,0|1,1,0]=4 6483 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,2,0,0,0,0|0,0,0]=2 6484 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,2,0,0,0,0|0,0,0]=2 6485 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,2,0,0,0,0|0,1,0]=3 6486 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,2,0,0,0,0|0,1,0]=3 6487 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [0,2,0,0,0,0|2,0,0]=4 6488 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [0,2,0,0,0,0|2,0,0]=4 6489 B11R1.4 CCCNCCc1cncs1 2230a_100016991637_100000210303 [0,2,0,0,0,0|1,1,0]=4 6490 B11R1.4 CCCNCCc1nccs1 2230a_100015186391_100000210303 [0,2,0,0,0,0|1,1,0]=4 6491 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [0,2,0,0,0,0|2,0,0]=4 6492 B11R1.4 CCCNCCn1cccn1 2230a_100011200920_100000210303 [0,2,0,0,0,0|2,0,0]=4 6493 B11R1.4 CCCNN=Cc1ccc[nH]1 4a_100000740057_100000211237 [0,2,0,0,0,0|1,0,1]=4 6494 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [0,2,0,0,0,0|0,0,1]=3 6495 B11R1.4 CCCNN=Cc1cccs1 4a_100000740057_100000209959 [0,2,0,0,0,0|0,1,1]=4 6496 B11R1.4 CCCNN=Cc1cnco1 4a_100000740057_100000064291 [0,2,0,0,0,0|1,0,1]=4 6497 B11R1.4 CCCNN=Cc1ncco1 4a_100000740057_100000064290 [0,2,0,0,0,0|1,0,1]=4 6498 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,2,0,0,0,0|0,1,0]=3 6499 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,2,0,0,0,0|0,1,0]=3 6500 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,2,0,0,0,0|0,1,0]=3 6501 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,2,0,0,0,0|2,0,0]=4 6502 B11R1.4 CCCOCCc1ncc[nH]1 34a_103549771195_100000210303 [0,2,0,0,0,0|2,0,0]=4 6503 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,2,0,0,0,0|2,0,0]=4 6504 B11R1.4 CCCOCCn1cccn1 34a_100000210258_100015204718 [0,2,0,0,0,0|2,0,0]=4 6505 B11R1.4 CCCOCCn1cccn1 34a_100000743371_100000210303 [0,2,0,0,0,0|2,0,0]=4 6506 B11R1.4 CCCSCCc1c[nH]cn1 62a_100000210303_100020628418 [0,2,0,0,0,0|2,0,0]=4 6507 B11R1.4 CCCSCCc1c[nH]cn1 62a_100020628418_100000210303 [0,2,0,0,0,0|2,0,0]=4 6508 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,2,0,0,0,0|0,1,0]=3 6509 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,2,0,0,0,0|0,1,0]=3 6510 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [0,2,0,0,0,0|2,0,0]=4 6511 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [0,2,0,0,0,0|2,0,0]=4 6512 B11R1.4 CCCSCCn1cccn1 62a_100000210303_100000685285 [0,2,0,0,0,0|2,0,0]=4 6513 B11R1.4 CCCSCCn1cccn1 62a_100015204718_100000210303 [0,2,0,0,0,0|2,0,0]=4 6514 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [0,2,0,0,0,0|0,0,1]=3 6515 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,2,0,0,0,0|0,1,0]=3 6516 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [0,2,0,0,0,0|2,0,0]=4 6517 B11R1.4 CCNCCCn1cccn1 2230a_100015525214_100000739983 [0,2,0,0,0,0|2,0,0]=4 6518 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,2,0,0,0,0|0,1,0]=3 6519 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,2,0,0,0,0|0,1,0]=3 6520 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,2,0,0,0,0|0,1,0]=3 6521 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,2,0,0,0,0|2,0,0]=4 6522 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,2,0,0,0,0|2,0,0]=4 6523 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [0,2,0,0,0,0|2,0,0]=4 6524 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [0,2,0,0,0,0|2,0,0]=4 6525 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [0,2,0,0,0,0|2,0,0]=4 6526 B11R1.4 CCOCCCn1cccn1 34a_100000753614_100000210202 [0,2,0,0,0,0|2,0,0]=4 6527 B11R1.4 CCOCCOc1ccsc1 34a_100000106738_100000210147 [0,2,0,0,0,0|2,0,0]=4 6528 B11R1.4 CCOCCOc1ccsc1 7a_100000106738_100011215890 [0,2,0,0,0,0|2,0,0]=4 6529 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000210147_100000756875 [0,2,0,0,0,0|2,0,0]=4 6530 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000756875_100011215890 [0,2,0,0,0,0|2,0,0]=4 6531 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000062575_100011215890 [0,2,0,0,0,0|2,0,0]=4 6532 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000210147_100000062575 [0,2,0,0,0,0|2,0,0]=4 6533 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [0,2,0,0,0,0|0,0,0]=2 6534 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [0,2,0,0,0,0|0,0,0]=2 6535 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [0,2,0,0,0,0|0,1,0]=3 6536 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [0,2,0,0,0,0|0,1,0]=3 6537 B11R1.4 CCOCCSc1ccoc1 62a_100000210147_100011215275 [0,2,0,0,0,0|2,0,0]=4 6538 B11R1.4 CCOCCSc1ccoc1 62a_100011215275_100011215890 [0,2,0,0,0,0|2,0,0]=4 6539 B11R1.4 CCOCCSc1ccon1 62a_100000210147_100009818083 [0,2,0,0,0,0|2,0,0]=4 6540 B11R1.4 CCOCCSc1ccon1 62a_100009818083_100011215890 [0,2,0,0,0,0|2,0,0]=4 6541 B11R1.4 CCOCCSc1ccsc1 62a_100000210147_100000738268 [0,2,0,0,0,0|2,0,0]=4 6542 B11R1.4 CCOCCSc1ccsc1 62a_100000738268_100011215890 [0,2,0,0,0,0|2,0,0]=4 6543 B11R1.4 CCOCCSc1ccsn1 62a_100000210147_100009818082 [0,2,0,0,0,0|2,0,0]=4 6544 B11R1.4 CCOCCSc1ccsn1 62a_100009818082_100011215890 [0,2,0,0,0,0|2,0,0]=4 6545 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [0,2,0,0,0,0|1,0,0]=3 6546 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [0,2,0,0,0,0|1,0,0]=3 6547 B11R1.4 CCOCCSc1cncs1 62a_100000210147_100011934649 [0,2,0,0,0,0|1,1,0]=4 6548 B11R1.4 CCOCCSc1cncs1 62a_100011934649_100011215890 [0,2,0,0,0,0|1,1,0]=4 6549 B11R1.4 CCOCCSc1cscn1 62a_100000210147_100000751502 [0,2,0,0,0,0|2,0,0]=4 6550 B11R1.4 CCOCCSc1cscn1 62a_100000751502_100011215890 [0,2,0,0,0,0|2,0,0]=4 6551 B11R1.4 CCOCCSc1ncc[nH]1 62a_100000210147_100025796157 [0,2,0,0,0,0|2,0,0]=4 6552 B11R1.4 CCOCCSc1ncc[nH]1 62a_100025796157_100011215890 [0,2,0,0,0,0|2,0,0]=4 6553 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [0,2,0,0,0,0|1,0,0]=3 6554 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [0,2,0,0,0,0|1,0,0]=3 6555 B11R1.4 CCOCCSc1nccs1 62a_100000210147_100000211983 [0,2,0,0,0,0|1,1,0]=4 6556 B11R1.4 CCOCCSc1nccs1 62a_100000211983_100011215890 [0,2,0,0,0,0|1,1,0]=4 6557 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000707719_100000739092 [0,2,0,0,0,0|2,0,0]=4 6558 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000739092_100000707719 [0,2,0,0,0,0|2,0,0]=4 6559 B11R1.4 CCOCSCc1ccn[nH]1 62a_100000728653_100000739092 [0,2,0,0,0,0|2,0,0]=4 6560 B11R1.4 CCOCSCc1ccn[nH]1 62a_100000739092_100000728653 [0,2,0,0,0,0|2,0,0]=4 6561 B11R1.4 CCOCSCc1ccon1 62a_100000234950_100000739092 [0,2,0,0,0,0|2,0,0]=4 6562 B11R1.4 CCOCSCc1ccon1 62a_100000739092_100000234950 [0,2,0,0,0,0|2,0,0]=4 6563 B11R1.4 CCOCSCc1ccsc1 62a_100000739092_100011233845 [0,2,0,0,0,0|2,0,0]=4 6564 B11R1.4 CCOCSCc1ccsc1 62a_100011261437_100000739092 [0,2,0,0,0,0|2,0,0]=4 6565 B11R1.4 CCOCSCc1cncs1 62a_100000739092_100015185245 [0,2,0,0,0,0|1,1,0]=4 6566 B11R1.4 CCOCSCc1cncs1 62a_100015185245_100000739092 [0,2,0,0,0,0|1,1,0]=4 6567 B11R1.4 CCOCSCc1cscn1 62a_100000205941_100000739092 [0,2,0,0,0,0|2,0,0]=4 6568 B11R1.4 CCOCSCc1cscn1 62a_100000739092_100000205941 [0,2,0,0,0,0|2,0,0]=4 6569 B11R1.4 CCOCSCc1ncc[nH]1 62a_100000739092_100016991755 [0,2,0,0,0,0|2,0,0]=4 6570 B11R1.4 CCOCSCc1ncc[nH]1 62a_100016991755_100000739092 [0,2,0,0,0,0|2,0,0]=4 6571 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [0,2,0,0,0,0|1,0,0]=3 6572 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [0,2,0,0,0,0|1,0,0]=3 6573 B11R1.4 CCOCSCc1nccs1 62a_100000739092_100015184050 [0,2,0,0,0,0|1,1,0]=4 6574 B11R1.4 CCOCSCc1nccs1 62a_100015184050_100000739092 [0,2,0,0,0,0|1,1,0]=4 6575 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,2,0,0,0,0|0,1,0]=3 6576 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,2,0,0,0,0|0,1,0]=3 6577 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [0,2,0,0,0,0|2,0,0]=4 6578 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [0,2,0,0,0,0|2,0,0]=4 6579 B11R1.4 CCSCCCn1cccn1 62a_100000210202_100000739983 [0,2,0,0,0,0|2,0,0]=4 6580 B11R1.4 CCSCCCn1cccn1 62a_100000739983_100000210202 [0,2,0,0,0,0|2,0,0]=4 6581 B11R1.4 CCSCCOc1ccsc1 34a_100000106738_100000757381 [0,2,0,0,0,0|2,0,0]=4 6582 B11R1.4 CCSCCOc1ccsc1 7a_100000106738_100000757381 [0,2,0,0,0,0|2,0,0]=4 6583 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000756875_100000757381 [0,2,0,0,0,0|2,0,0]=4 6584 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000757381_100000756875 [0,2,0,0,0,0|2,0,0]=4 6585 B11R1.4 CCSCCSc1cc[nH]n1 62a_100000062575_100000757381 [0,2,0,0,0,0|2,0,0]=4 6586 B11R1.4 CCSCCSc1cc[nH]n1 62a_100000757381_100000062575 [0,2,0,0,0,0|2,0,0]=4 6587 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,2,0,0,0,0|0,0,0]=2 6588 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,2,0,0,0,0|0,0,0]=2 6589 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [0,2,0,0,0,0|0,1,0]=3 6590 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [0,2,0,0,0,0|0,1,0]=3 6591 B11R1.4 CCSCCSc1ccoc1 62a_100000757381_100011215275 [0,2,0,0,0,0|2,0,0]=4 6592 B11R1.4 CCSCCSc1ccoc1 62a_100011215275_100000757381 [0,2,0,0,0,0|2,0,0]=4 6593 B11R1.4 CCSCCSc1ccon1 62a_100000757381_100009818083 [0,2,0,0,0,0|2,0,0]=4 6594 B11R1.4 CCSCCSc1ccon1 62a_100009818083_100000757381 [0,2,0,0,0,0|2,0,0]=4 6595 B11R1.4 CCSCCSc1ccsc1 62a_100000738268_100000757381 [0,2,0,0,0,0|2,0,0]=4 6596 B11R1.4 CCSCCSc1ccsc1 62a_100000757381_100000738268 [0,2,0,0,0,0|2,0,0]=4 6597 B11R1.4 CCSCCSc1ccsn1 62a_100000757381_100009818082 [0,2,0,0,0,0|2,0,0]=4 6598 B11R1.4 CCSCCSc1ccsn1 62a_100009818082_100000757381 [0,2,0,0,0,0|2,0,0]=4 6599 B11R1.4 CCSCCSc1cnco1 62a_100000757381_100020591547 [0,2,0,0,0,0|1,0,0]=3 6600 B11R1.4 CCSCCSc1cnco1 62a_100020591547_100000757381 [0,2,0,0,0,0|1,0,0]=3 6601 B11R1.4 CCSCCSc1cncs1 62a_100000757381_100011934649 [0,2,0,0,0,0|1,1,0]=4 6602 B11R1.4 CCSCCSc1cncs1 62a_100011934649_100000757381 [0,2,0,0,0,0|1,1,0]=4 6603 B11R1.4 CCSCCSc1cscn1 62a_100000751502_100000757381 [0,2,0,0,0,0|2,0,0]=4 6604 B11R1.4 CCSCCSc1cscn1 62a_100000757381_100000751502 [0,2,0,0,0,0|2,0,0]=4 6605 B11R1.4 CCSCCSc1ncc[nH]1 62a_100000757381_100025796157 [0,2,0,0,0,0|2,0,0]=4 6606 B11R1.4 CCSCCSc1ncc[nH]1 62a_100025796157_100000757381 [0,2,0,0,0,0|2,0,0]=4 6607 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [0,2,0,0,0,0|1,0,0]=3 6608 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [0,2,0,0,0,0|1,0,0]=3 6609 B11R1.4 CCSCCSc1nccs1 62a_100000211983_100000757381 [0,2,0,0,0,0|1,1,0]=4 6610 B11R1.4 CCSCCSc1nccs1 62a_100000757381_100000211983 [0,2,0,0,0,0|1,1,0]=4 6611 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [0,2,0,0,0,0|0,0,0]=2 6612 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [0,2,0,0,0,0|0,0,0]=2 6613 B11R1.4 COCCCOc1ccsc1 34a_100000106738_100000740836 [0,2,0,0,0,0|2,0,0]=4 6614 B11R1.4 COCCCOc1ccsc1 7a_100000106738_100000740836 [0,2,0,0,0,0|2,0,0]=4 6615 B11R1.4 COCCCSc1c[nH]cn1 62a_100000709357_100000756875 [0,2,0,0,0,0|2,0,0]=4 6616 B11R1.4 COCCCSc1c[nH]cn1 62a_100000756875_100000709357 [0,2,0,0,0,0|2,0,0]=4 6617 B11R1.4 COCCCSc1cc[nH]n1 62a_100000062575_100000709357 [0,2,0,0,0,0|2,0,0]=4 6618 B11R1.4 COCCCSc1cc[nH]n1 62a_100000709357_100000062575 [0,2,0,0,0,0|2,0,0]=4 6619 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [0,2,0,0,0,0|0,0,0]=2 6620 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [0,2,0,0,0,0|0,0,0]=2 6621 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [0,2,0,0,0,0|0,1,0]=3 6622 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [0,2,0,0,0,0|0,1,0]=3 6623 B11R1.4 COCCCSc1ccoc1 62a_100000709357_100011215275 [0,2,0,0,0,0|2,0,0]=4 6624 B11R1.4 COCCCSc1ccoc1 62a_100011215275_100000709357 [0,2,0,0,0,0|2,0,0]=4 6625 B11R1.4 COCCCSc1ccon1 62a_100000709357_100009818083 [0,2,0,0,0,0|2,0,0]=4 6626 B11R1.4 COCCCSc1ccon1 62a_100009818083_100000709357 [0,2,0,0,0,0|2,0,0]=4 6627 B11R1.4 COCCCSc1ccsc1 62a_100000709357_100000738268 [0,2,0,0,0,0|2,0,0]=4 6628 B11R1.4 COCCCSc1ccsc1 62a_100000738268_100000709357 [0,2,0,0,0,0|2,0,0]=4 6629 B11R1.4 COCCCSc1ccsn1 62a_100000709357_100009818082 [0,2,0,0,0,0|2,0,0]=4 6630 B11R1.4 COCCCSc1ccsn1 62a_100009818082_100000709357 [0,2,0,0,0,0|2,0,0]=4 6631 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [0,2,0,0,0,0|1,0,0]=3 6632 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [0,2,0,0,0,0|1,0,0]=3 6633 B11R1.4 COCCCSc1cncs1 62a_100000709357_100011934649 [0,2,0,0,0,0|1,1,0]=4 6634 B11R1.4 COCCCSc1cncs1 62a_100011934649_100000709357 [0,2,0,0,0,0|1,1,0]=4 6635 B11R1.4 COCCCSc1cscn1 62a_100000709357_100000751502 [0,2,0,0,0,0|2,0,0]=4 6636 B11R1.4 COCCCSc1cscn1 62a_100000751502_100000709357 [0,2,0,0,0,0|2,0,0]=4 6637 B11R1.4 COCCCSc1ncc[nH]1 62a_100000709357_100025796157 [0,2,0,0,0,0|2,0,0]=4 6638 B11R1.4 COCCCSc1ncc[nH]1 62a_100025796157_100000709357 [0,2,0,0,0,0|2,0,0]=4 6639 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [0,2,0,0,0,0|1,0,0]=3 6640 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [0,2,0,0,0,0|1,0,0]=3 6641 B11R1.4 COCCCSc1nccs1 62a_100000211983_100000709357 [0,2,0,0,0,0|1,1,0]=4 6642 B11R1.4 COCCCSc1nccs1 62a_100000709357_100000211983 [0,2,0,0,0,0|1,1,0]=4 6643 B11R1.4 COCCNCc1c[nH]cn1 2230a_100000209980_100000707719 [0,2,0,0,0,0|2,0,0]=4 6644 B11R1.4 COCCNCc1cc[nH]n1 207a_100000209980_100000738523 [0,2,0,0,0,0|2,0,0]=4 6645 B11R1.4 COCCNCc1cc[nH]n1 270004a_100000209980_100000738523 [0,2,0,0,0,0|2,0,0]=4 6646 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [0,2,0,0,0,0|0,0,0]=2 6647 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [0,2,0,0,0,0|0,0,0]=2 6648 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [0,2,0,0,0,0|0,0,0]=2 6649 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [0,2,0,0,0,0|0,0,0]=2 6650 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [0,2,0,0,0,0|0,1,0]=3 6651 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [0,2,0,0,0,0|0,1,0]=3 6652 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [0,2,0,0,0,0|0,1,0]=3 6653 B11R1.4 COCCNCc1ccn[nH]1 2230a_100000209980_100000728653 [0,2,0,0,0,0|2,0,0]=4 6654 B11R1.4 COCCNCc1ccoc1 207a_100000209980_100011215517 [0,2,0,0,0,0|2,0,0]=4 6655 B11R1.4 COCCNCc1ccoc1 2230a_100015206860_100011201679 [0,2,0,0,0,0|2,0,0]=4 6656 B11R1.4 COCCNCc1ccoc1 270004a_100000209980_100011215517 [0,2,0,0,0,0|2,0,0]=4 6657 B11R1.4 COCCNCc1ccoc1 34a_100015206860_100011201679 [0,2,0,0,0,0|2,0,0]=4 6658 B11R1.4 COCCNCc1ccon1 2230a_100000209980_100000234950 [0,2,0,0,0,0|2,0,0]=4 6659 B11R1.4 COCCNCc1ccsc1 207a_100000209980_100000188534 [0,2,0,0,0,0|2,0,0]=4 6660 B11R1.4 COCCNCc1ccsc1 2230a_100000186416_100011201679 [0,2,0,0,0,0|2,0,0]=4 6661 B11R1.4 COCCNCc1ccsc1 2230a_100000209980_100011261437 [0,2,0,0,0,0|2,0,0]=4 6662 B11R1.4 COCCNCc1ccsc1 270004a_100000209980_100000188534 [0,2,0,0,0,0|2,0,0]=4 6663 B11R1.4 COCCNCc1ccsc1 34a_100000186416_100011201679 [0,2,0,0,0,0|2,0,0]=4 6664 B11R1.4 COCCNCc1cnc[nH]1 207a_100000209980_100000742939 [0,2,0,0,0,0|2,0,0]=4 6665 B11R1.4 COCCNCc1cnco1 270004a_100000209980_100000064291 [0,2,0,0,0,0|1,0,0]=3 6666 B11R1.4 COCCNCc1cncs1 207a_100000209980_100000749870 [0,2,0,0,0,0|1,1,0]=4 6667 B11R1.4 COCCNCc1cncs1 2230a_100000209980_100015185245 [0,2,0,0,0,0|1,1,0]=4 6668 B11R1.4 COCCNCc1cncs1 2230a_100016987365_100011201679 [0,2,0,0,0,0|1,1,0]=4 6669 B11R1.4 COCCNCc1cncs1 270004a_100000209980_100000749870 [0,2,0,0,0,0|1,1,0]=4 6670 B11R1.4 COCCNCc1cocn1 270004a_100000209980_100000050382 [0,2,0,0,0,0|2,0,0]=4 6671 B11R1.4 COCCNCc1cscn1 207a_100000209980_100000743575 [0,2,0,0,0,0|2,0,0]=4 6672 B11R1.4 COCCNCc1cscn1 2230a_100000209980_100000205941 [0,2,0,0,0,0|2,0,0]=4 6673 B11R1.4 COCCNCc1cscn1 2230a_100015185402_100011201679 [0,2,0,0,0,0|2,0,0]=4 6674 B11R1.4 COCCNCc1cscn1 270004a_100000209980_100000743575 [0,2,0,0,0,0|2,0,0]=4 6675 B11R1.4 COCCNCc1ncc[nH]1 207a_100000209980_100000743867 [0,2,0,0,0,0|2,0,0]=4 6676 B11R1.4 COCCNCc1ncc[nH]1 2230a_100000209980_100016991755 [0,2,0,0,0,0|2,0,0]=4 6677 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [0,2,0,0,0,0|1,0,0]=3 6678 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [0,2,0,0,0,0|1,0,0]=3 6679 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [0,2,0,0,0,0|1,0,0]=3 6680 B11R1.4 COCCNCc1nccs1 207a_100000209980_100000750902 [0,2,0,0,0,0|1,1,0]=4 6681 B11R1.4 COCCNCc1nccs1 2230a_100000209980_100015184050 [0,2,0,0,0,0|1,1,0]=4 6682 B11R1.4 COCCNCc1nccs1 2230a_100000740555_100011201679 [0,2,0,0,0,0|1,1,0]=4 6683 B11R1.4 COCCNCc1nccs1 270004a_100000209980_100000750902 [0,2,0,0,0,0|1,1,0]=4 6684 B11R1.4 COCCOCc1c[nH]cn1 34a_100000210237_100000707719 [0,2,0,0,0,0|2,0,0]=4 6685 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [0,2,0,0,0,0|0,0,0]=2 6686 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [0,2,0,0,0,0|0,1,0]=3 6687 B11R1.4 COCCOCc1ccn[nH]1 34a_100000210237_100000728653 [0,2,0,0,0,0|2,0,0]=4 6688 B11R1.4 COCCOCc1ccno1 34a_100000740478_100011201679 [0,2,0,0,0,0|1,0,0]=3 6689 B11R1.4 COCCOCc1ccoc1 34a_100011215357_100011201679 [0,2,0,0,0,0|2,0,0]=4 6690 B11R1.4 COCCOCc1ccon1 34a_100000210237_100000234950 [0,2,0,0,0,0|2,0,0]=4 6691 B11R1.4 COCCOCc1ccsc1 34a_100000210237_100011261437 [0,2,0,0,0,0|2,0,0]=4 6692 B11R1.4 COCCOCc1ccsc1 34a_100011215551_100011201679 [0,2,0,0,0,0|2,0,0]=4 6693 B11R1.4 COCCOCc1cncs1 34a_100000210237_100015185245 [0,2,0,0,0,0|1,1,0]=4 6694 B11R1.4 COCCOCc1cscn1 34a_100000210237_100000205941 [0,2,0,0,0,0|2,0,0]=4 6695 B11R1.4 COCCOCc1ncc[nH]1 34a_100000210237_100016991755 [0,2,0,0,0,0|2,0,0]=4 6696 B11R1.4 COCCOCc1ncco1 34a_100000062594_100011201679 [0,2,0,0,0,0|1,0,0]=3 6697 B11R1.4 COCCOCc1ncco1 34a_100000210237_103436540062 [0,2,0,0,0,0|1,0,0]=3 6698 B11R1.4 COCCOCc1nccs1 34a_100000210237_100015184050 [0,2,0,0,0,0|1,1,0]=4 6699 B11R1.4 COCCOCn1cccn1 34a_100000731028_100011201679 [0,2,0,0,0,0|2,0,0]=4 6700 B11R1.4 COCCSCc1c[nH]cn1 62a_100000233755_100000707719 [0,2,0,0,0,0|2,0,0]=4 6701 B11R1.4 COCCSCc1c[nH]cn1 62a_100000707719_100000233755 [0,2,0,0,0,0|2,0,0]=4 6702 B11R1.4 COCCSCc1ccn[nH]1 62a_100000233755_100000728653 [0,2,0,0,0,0|2,0,0]=4 6703 B11R1.4 COCCSCc1ccn[nH]1 62a_100000728653_100000233755 [0,2,0,0,0,0|2,0,0]=4 6704 B11R1.4 COCCSCc1ccon1 62a_100000233755_100000234950 [0,2,0,0,0,0|2,0,0]=4 6705 B11R1.4 COCCSCc1ccon1 62a_100000234950_100000233755 [0,2,0,0,0,0|2,0,0]=4 6706 B11R1.4 COCCSCc1ccsc1 62a_100000233755_100011233845 [0,2,0,0,0,0|2,0,0]=4 6707 B11R1.4 COCCSCc1ccsc1 62a_100011261437_100000233755 [0,2,0,0,0,0|2,0,0]=4 6708 B11R1.4 COCCSCc1cncs1 62a_100000233755_100015185245 [0,2,0,0,0,0|1,1,0]=4 6709 B11R1.4 COCCSCc1cncs1 62a_100015185245_100000233755 [0,2,0,0,0,0|1,1,0]=4 6710 B11R1.4 COCCSCc1cscn1 62a_100000205941_100000233755 [0,2,0,0,0,0|2,0,0]=4 6711 B11R1.4 COCCSCc1cscn1 62a_100000233755_100000205941 [0,2,0,0,0,0|2,0,0]=4 6712 B11R1.4 COCCSCc1ncc[nH]1 62a_100000233755_100016991755 [0,2,0,0,0,0|2,0,0]=4 6713 B11R1.4 COCCSCc1ncc[nH]1 62a_100016991755_100000233755 [0,2,0,0,0,0|2,0,0]=4 6714 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [0,2,0,0,0,0|1,0,0]=3 6715 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [0,2,0,0,0,0|1,0,0]=3 6716 B11R1.4 COCCSCc1nccs1 62a_100000233755_100015184050 [0,2,0,0,0,0|1,1,0]=4 6717 B11R1.4 COCCSCc1nccs1 62a_100015184050_100000233755 [0,2,0,0,0,0|1,1,0]=4 6718 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [0,2,0,0,0,0|0,0,0]=2 6719 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [0,2,0,0,0,0|0,1,0]=3 6720 B11R1.4 COCNCCc1ccsc1 2230a_100000692642_100000766300 [0,2,0,0,0,0|2,0,0]=4 6721 B11R1.4 COCNCCc1cncs1 2230a_100016991637_100000766300 [0,2,0,0,0,0|1,1,0]=4 6722 B11R1.4 COCNCCc1nccs1 2230a_100015186391_100000766300 [0,2,0,0,0,0|1,1,0]=4 6723 B11R1.4 COCNCCn1cccn1 2230a_100011200920_100000766300 [0,2,0,0,0,0|2,0,0]=4 6724 B11R1.4 COCSCCc1c[nH]cn1 62a_100000766300_100020628418 [0,2,0,0,0,0|2,0,0]=4 6725 B11R1.4 COCSCCc1c[nH]cn1 62a_100020628418_100000766300 [0,2,0,0,0,0|2,0,0]=4 6726 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [0,2,0,0,0,0|0,1,0]=3 6727 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [0,2,0,0,0,0|0,1,0]=3 6728 B11R1.4 COCSCCn1cccc1 62a_100000766300_200000035178 [0,2,0,0,0,0|2,0,0]=4 6729 B11R1.4 COCSCCn1cccc1 62a_200009811947_100000766300 [0,2,0,0,0,0|2,0,0]=4 6730 B11R1.4 COCSCCn1cccn1 62a_100000766300_100000685285 [0,2,0,0,0,0|2,0,0]=4 6731 B11R1.4 COCSCCn1cccn1 62a_100015204718_100000766300 [0,2,0,0,0,0|2,0,0]=4 6732 B11R1.4 CSCCNCc1c[nH]cn1 2230a_100020590264_100000707719 [0,2,0,0,0,0|2,0,0]=4 6733 B11R1.4 CSCCNCc1cc[nH]n1 207a_100020590264_100000738523 [0,2,0,0,0,0|2,0,0]=4 6734 B11R1.4 CSCCNCc1cc[nH]n1 270004a_100020590264_100000738523 [0,2,0,0,0,0|2,0,0]=4 6735 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [0,2,0,0,0,0|0,0,0]=2 6736 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [0,2,0,0,0,0|0,0,0]=2 6737 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [0,2,0,0,0,0|0,0,0]=2 6738 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [0,2,0,0,0,0|0,0,0]=2 6739 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [0,2,0,0,0,0|0,1,0]=3 6740 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [0,2,0,0,0,0|0,1,0]=3 6741 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [0,2,0,0,0,0|0,1,0]=3 6742 B11R1.4 CSCCNCc1ccn[nH]1 2230a_100020590264_100000728653 [0,2,0,0,0,0|2,0,0]=4 6743 B11R1.4 CSCCNCc1ccoc1 207a_100020590264_100011215517 [0,2,0,0,0,0|2,0,0]=4 6744 B11R1.4 CSCCNCc1ccoc1 2230a_100015206860_100000751147 [0,2,0,0,0,0|2,0,0]=4 6745 B11R1.4 CSCCNCc1ccoc1 270004a_100020590264_100011215517 [0,2,0,0,0,0|2,0,0]=4 6746 B11R1.4 CSCCNCc1ccoc1 34a_100015206860_100000212216 [0,2,0,0,0,0|2,0,0]=4 6747 B11R1.4 CSCCNCc1ccon1 2230a_100020590264_100000234950 [0,2,0,0,0,0|2,0,0]=4 6748 B11R1.4 CSCCNCc1ccsc1 207a_100020590264_100000188534 [0,2,0,0,0,0|2,0,0]=4 6749 B11R1.4 CSCCNCc1ccsc1 2230a_100000186416_100000751147 [0,2,0,0,0,0|2,0,0]=4 6750 B11R1.4 CSCCNCc1ccsc1 2230a_100020590264_100011261437 [0,2,0,0,0,0|2,0,0]=4 6751 B11R1.4 CSCCNCc1ccsc1 270004a_100020590264_100000188534 [0,2,0,0,0,0|2,0,0]=4 6752 B11R1.4 CSCCNCc1ccsc1 34a_100000186416_100000212216 [0,2,0,0,0,0|2,0,0]=4 6753 B11R1.4 CSCCNCc1cnc[nH]1 207a_100020590264_100000742939 [0,2,0,0,0,0|2,0,0]=4 6754 B11R1.4 CSCCNCc1cnco1 270004a_100020590264_100000064291 [0,2,0,0,0,0|1,0,0]=3 6755 B11R1.4 CSCCNCc1cncs1 207a_100020590264_100000749870 [0,2,0,0,0,0|1,1,0]=4 6756 B11R1.4 CSCCNCc1cncs1 2230a_100016987365_100000751147 [0,2,0,0,0,0|1,1,0]=4 6757 B11R1.4 CSCCNCc1cncs1 2230a_100020590264_100015185245 [0,2,0,0,0,0|1,1,0]=4 6758 B11R1.4 CSCCNCc1cncs1 270004a_100020590264_100000749870 [0,2,0,0,0,0|1,1,0]=4 6759 B11R1.4 CSCCNCc1cocn1 270004a_100020590264_100000050382 [0,2,0,0,0,0|2,0,0]=4 6760 B11R1.4 CSCCNCc1cscn1 207a_100020590264_100000743575 [0,2,0,0,0,0|2,0,0]=4 6761 B11R1.4 CSCCNCc1cscn1 2230a_100015185402_100000751147 [0,2,0,0,0,0|2,0,0]=4 6762 B11R1.4 CSCCNCc1cscn1 2230a_100020590264_100000205941 [0,2,0,0,0,0|2,0,0]=4 6763 B11R1.4 CSCCNCc1cscn1 270004a_100020590264_100000743575 [0,2,0,0,0,0|2,0,0]=4 6764 B11R1.4 CSCCNCc1ncc[nH]1 207a_100020590264_100000743867 [0,2,0,0,0,0|2,0,0]=4 6765 B11R1.4 CSCCNCc1ncc[nH]1 2230a_100020590264_100016991755 [0,2,0,0,0,0|2,0,0]=4 6766 B11R1.4 CSCCNCc1ncco1 2230a_100016994969_100000751147 [0,2,0,0,0,0|1,0,0]=3 6767 B11R1.4 CSCCNCc1ncco1 2230a_100020590264_103436540062 [0,2,0,0,0,0|1,0,0]=3 6768 B11R1.4 CSCCNCc1ncco1 270004a_100020590264_100000064290 [0,2,0,0,0,0|1,0,0]=3 6769 B11R1.4 CSCCNCc1nccs1 207a_100020590264_100000750902 [0,2,0,0,0,0|1,1,0]=4 6770 B11R1.4 CSCCNCc1nccs1 2230a_100000740555_100000751147 [0,2,0,0,0,0|1,1,0]=4 6771 B11R1.4 CSCCNCc1nccs1 2230a_100020590264_100015184050 [0,2,0,0,0,0|1,1,0]=4 6772 B11R1.4 CSCCNCc1nccs1 270004a_100020590264_100000750902 [0,2,0,0,0,0|1,1,0]=4 6773 B11R1.4 CSCCOCc1c[nH]cn1 34a_100000230434_100000707719 [0,2,0,0,0,0|2,0,0]=4 6774 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [0,2,0,0,0,0|0,0,0]=2 6775 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [0,2,0,0,0,0|0,1,0]=3 6776 B11R1.4 CSCCOCc1ccn[nH]1 34a_100000230434_100000728653 [0,2,0,0,0,0|2,0,0]=4 6777 B11R1.4 CSCCOCc1ccn[nH]1 7a_100000230434_100000728653 [0,2,0,0,0,0|2,0,0]=4 6778 B11R1.4 CSCCOCc1ccno1 34a_100000740478_100000212216 [0,2,0,0,0,0|1,0,0]=3 6779 B11R1.4 CSCCOCc1ccoc1 34a_100011215357_100000212216 [0,2,0,0,0,0|2,0,0]=4 6780 B11R1.4 CSCCOCc1ccon1 34a_100000230434_100000234950 [0,2,0,0,0,0|2,0,0]=4 6781 B11R1.4 CSCCOCc1ccon1 7a_100000230434_100000234950 [0,2,0,0,0,0|2,0,0]=4 6782 B11R1.4 CSCCOCc1ccsc1 34a_100000230434_100011261437 [0,2,0,0,0,0|2,0,0]=4 6783 B11R1.4 CSCCOCc1ccsc1 34a_100011215551_100000212216 [0,2,0,0,0,0|2,0,0]=4 6784 B11R1.4 CSCCOCc1ccsc1 7a_100000230434_100011261437 [0,2,0,0,0,0|2,0,0]=4 6785 B11R1.4 CSCCOCc1cncs1 34a_100000230434_100015185245 [0,2,0,0,0,0|1,1,0]=4 6786 B11R1.4 CSCCOCc1cncs1 7a_100000230434_100015185245 [0,2,0,0,0,0|1,1,0]=4 6787 B11R1.4 CSCCOCc1cscn1 34a_100000230434_100000205941 [0,2,0,0,0,0|2,0,0]=4 6788 B11R1.4 CSCCOCc1cscn1 7a_100000230434_100000205941 [0,2,0,0,0,0|2,0,0]=4 6789 B11R1.4 CSCCOCc1ncc[nH]1 34a_100000230434_100016991755 [0,2,0,0,0,0|2,0,0]=4 6790 B11R1.4 CSCCOCc1ncc[nH]1 7a_100000230434_100000753453 [0,2,0,0,0,0|2,0,0]=4 6791 B11R1.4 CSCCOCc1ncco1 34a_100000062594_100000212216 [0,2,0,0,0,0|1,0,0]=3 6792 B11R1.4 CSCCOCc1ncco1 34a_100000230434_103436540062 [0,2,0,0,0,0|1,0,0]=3 6793 B11R1.4 CSCCOCc1ncco1 7a_100000230434_103436540062 [0,2,0,0,0,0|1,0,0]=3 6794 B11R1.4 CSCCOCc1nccs1 34a_100000230434_100015184050 [0,2,0,0,0,0|1,1,0]=4 6795 B11R1.4 CSCCOCc1nccs1 7a_100000230434_100015184050 [0,2,0,0,0,0|1,1,0]=4 6796 B11R1.4 CSCCOCn1cccn1 34a_100000731028_100000212216 [0,2,0,0,0,0|2,0,0]=4 6797 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000212216_100000707719 [0,2,0,0,0,0|2,0,0]=4 6798 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000707719_100000751147 [0,2,0,0,0,0|2,0,0]=4 6799 B11R1.4 CSCCSCc1ccn[nH]1 62a_100000212216_100000728653 [0,2,0,0,0,0|2,0,0]=4 6800 B11R1.4 CSCCSCc1ccn[nH]1 62a_100000728653_100000751147 [0,2,0,0,0,0|2,0,0]=4 6801 B11R1.4 CSCCSCc1ccon1 62a_100000212216_100000234950 [0,2,0,0,0,0|2,0,0]=4 6802 B11R1.4 CSCCSCc1ccon1 62a_100000234950_100000751147 [0,2,0,0,0,0|2,0,0]=4 6803 B11R1.4 CSCCSCc1ccsc1 62a_100000212216_100011233845 [0,2,0,0,0,0|2,0,0]=4 6804 B11R1.4 CSCCSCc1ccsc1 62a_100011261437_100000751147 [0,2,0,0,0,0|2,0,0]=4 6805 B11R1.4 CSCCSCc1cncs1 62a_100000212216_100015185245 [0,2,0,0,0,0|1,1,0]=4 6806 B11R1.4 CSCCSCc1cncs1 62a_100015185245_100000751147 [0,2,0,0,0,0|1,1,0]=4 6807 B11R1.4 CSCCSCc1cscn1 62a_100000205941_100000751147 [0,2,0,0,0,0|2,0,0]=4 6808 B11R1.4 CSCCSCc1cscn1 62a_100000212216_100000205941 [0,2,0,0,0,0|2,0,0]=4 6809 B11R1.4 CSCCSCc1ncc[nH]1 62a_100000212216_100016991755 [0,2,0,0,0,0|2,0,0]=4 6810 B11R1.4 CSCCSCc1ncc[nH]1 62a_100016991755_100000751147 [0,2,0,0,0,0|2,0,0]=4 6811 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [0,2,0,0,0,0|1,0,0]=3 6812 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [0,2,0,0,0,0|1,0,0]=3 6813 B11R1.4 CSCCSCc1nccs1 62a_100000212216_100015184050 [0,2,0,0,0,0|1,1,0]=4 6814 B11R1.4 CSCCSCc1nccs1 62a_100015184050_100000751147 [0,2,0,0,0,0|1,1,0]=4 6815 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [0,2,0,0,0,0|0,0,0]=2 6816 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [0,2,0,0,0,0|0,0,0]=2 6817 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [0,2,0,0,0,0|0,1,0]=3 6818 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [0,2,0,0,0,0|0,1,0]=3 6819 B11R1.4 CSCNCCc1ccsc1 2230a_100000692642_100011218213 [0,2,0,0,0,0|2,0,0]=4 6820 B11R1.4 CSCNCCc1ccsc1 34a_100000692642_100011218213 [0,2,0,0,0,0|2,0,0]=4 6821 B11R1.4 CSCNCCc1cncs1 2230a_100016991637_100011218213 [0,2,0,0,0,0|1,1,0]=4 6822 B11R1.4 CSCNCCc1nccs1 2230a_100015186391_100011218213 [0,2,0,0,0,0|1,1,0]=4 6823 B11R1.4 CSCNCCn1cccc1 34a_100011368172_100011218213 [0,2,0,0,0,0|2,0,0]=4 6824 B11R1.4 CSCNCCn1cccn1 2230a_100011200920_100011218213 [0,2,0,0,0,0|2,0,0]=4 6825 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [0,2,0,0,0,0|0,1,0]=3 6826 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [0,2,0,0,0,0|2,0,0]=4 6827 B11R1.4 CSCOCCc1ncc[nH]1 34a_103549771195_100011218213 [0,2,0,0,0,0|2,0,0]=4 6828 B11R1.4 CSCOCCn1cccc1 34a_100000179382_100011218213 [0,2,0,0,0,0|2,0,0]=4 6829 B11R1.4 CSCOCCn1cccn1 34a_100000743371_100011218213 [0,2,0,0,0,0|2,0,0]=4 6830 B11R1.4 CSCSCCc1c[nH]cn1 62a_100011218213_100020628418 [0,2,0,0,0,0|2,0,0]=4 6831 B11R1.4 CSCSCCc1c[nH]cn1 62a_100020628418_100011218213 [0,2,0,0,0,0|2,0,0]=4 6832 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [0,2,0,0,0,0|0,1,0]=3 6833 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [0,2,0,0,0,0|0,1,0]=3 6834 B11R1.4 CSCSCCn1cccc1 62a_100011218213_200000035178 [0,2,0,0,0,0|2,0,0]=4 6835 B11R1.4 CSCSCCn1cccc1 62a_200009811947_100011218213 [0,2,0,0,0,0|2,0,0]=4 6836 B11R1.4 CSCSCCn1cccn1 62a_100011218213_100000685285 [0,2,0,0,0,0|2,0,0]=4 6837 B11R1.4 CSCSCCn1cccn1 62a_100015204718_100011218213 [0,2,0,0,0,0|2,0,0]=4 6838 B11R1.4 ClCCCOCc1c[nH]cn1 34a_100000230001_100000707719 [0,2,0,0,0,0|2,0,0]=4 6839 B11R1.4 ClCCCOCc1ccn[nH]1 34a_100000230001_100000728653 [0,2,0,0,0,0|2,0,0]=4 6840 B11R1.4 ClCCCOCc1ccon1 34a_100000230001_100000234950 [0,2,0,0,0,0|2,0,0]=4 6841 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,2,0,0,0,0|2,0,0]=4 6842 B11R1.4 ClCCCOCc1cncs1 34a_100000230001_100015185245 [0,2,0,0,0,0|1,1,0]=4 6843 B11R1.4 ClCCCOCc1cscn1 34a_100000230001_100000205941 [0,2,0,0,0,0|2,0,0]=4 6844 B11R1.4 ClCCCOCc1ncc[nH]1 34a_100000230001_100016991755 [0,2,0,0,0,0|2,0,0]=4 6845 B11R1.4 ClCCCOCc1ncco1 34a_100000230001_103436540062 [0,2,0,0,0,0|1,0,0]=3 6846 B11R1.4 ClCCCOCc1nccs1 34a_100000230001_100015184050 [0,2,0,0,0,0|1,1,0]=4 6847 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [0,2,0,0,0,0|2,0,0]=4 6848 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [0,2,0,0,0,0|2,0,0]=4 6849 B11R1.4 FCCCCSc1c[nH]cn1 62a_100000729493_100000756875 [0,2,0,0,0,0|2,0,0]=4 6850 B11R1.4 FCCCCSc1c[nH]cn1 62a_100000756875_100000729493 [0,2,0,0,0,0|2,0,0]=4 6851 B11R1.4 FCCCCSc1cc[nH]n1 62a_100000062575_100000729493 [0,2,0,0,0,0|2,0,0]=4 6852 B11R1.4 FCCCCSc1cc[nH]n1 62a_100000729493_100000062575 [0,2,0,0,0,0|2,0,0]=4 6853 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,2,0,0,0,0|0,0,0]=2 6854 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,2,0,0,0,0|0,0,0]=2 6855 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,2,0,0,0,0|0,1,0]=3 6856 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,2,0,0,0,0|0,1,0]=3 6857 B11R1.4 FCCCCSc1ccoc1 62a_100000729493_100011215275 [0,2,0,0,0,0|2,0,0]=4 6858 B11R1.4 FCCCCSc1ccoc1 62a_100011215275_100000729493 [0,2,0,0,0,0|2,0,0]=4 6859 B11R1.4 FCCCCSc1ccon1 62a_100000729493_100009818083 [0,2,0,0,0,0|2,0,0]=4 6860 B11R1.4 FCCCCSc1ccon1 62a_100009818083_100000729493 [0,2,0,0,0,0|2,0,0]=4 6861 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [0,2,0,0,0,0|2,0,0]=4 6862 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [0,2,0,0,0,0|2,0,0]=4 6863 B11R1.4 FCCCCSc1ccsn1 62a_100000729493_100009818082 [0,2,0,0,0,0|2,0,0]=4 6864 B11R1.4 FCCCCSc1ccsn1 62a_100009818082_100000729493 [0,2,0,0,0,0|2,0,0]=4 6865 B11R1.4 FCCCCSc1cnco1 62a_100000729493_100020591547 [0,2,0,0,0,0|1,0,0]=3 6866 B11R1.4 FCCCCSc1cnco1 62a_100020591547_100000729493 [0,2,0,0,0,0|1,0,0]=3 6867 B11R1.4 FCCCCSc1cncs1 62a_100000729493_100011934649 [0,2,0,0,0,0|1,1,0]=4 6868 B11R1.4 FCCCCSc1cncs1 62a_100011934649_100000729493 [0,2,0,0,0,0|1,1,0]=4 6869 B11R1.4 FCCCCSc1cscn1 62a_100000729493_100000751502 [0,2,0,0,0,0|2,0,0]=4 6870 B11R1.4 FCCCCSc1cscn1 62a_100000751502_100000729493 [0,2,0,0,0,0|2,0,0]=4 6871 B11R1.4 FCCCCSc1ncc[nH]1 62a_100000729493_100025796157 [0,2,0,0,0,0|2,0,0]=4 6872 B11R1.4 FCCCCSc1ncc[nH]1 62a_100025796157_100000729493 [0,2,0,0,0,0|2,0,0]=4 6873 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [0,2,0,0,0,0|1,0,0]=3 6874 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [0,2,0,0,0,0|1,0,0]=3 6875 B11R1.4 FCCCCSc1nccs1 62a_100000211983_100000729493 [0,2,0,0,0,0|1,1,0]=4 6876 B11R1.4 FCCCCSc1nccs1 62a_100000729493_100000211983 [0,2,0,0,0,0|1,1,0]=4 6877 B11R1.4 FCCCNCc1c[nH]cn1 2230a_100015189416_100000707719 [0,2,0,0,0,0|2,0,0]=4 6878 B11R1.4 FCCCNCc1c[nH]cn1 34a_100015189416_100000707719 [0,2,0,0,0,0|2,0,0]=4 6879 B11R1.4 FCCCNCc1cc[nH]n1 207a_100015189416_100000738523 [0,2,0,0,0,0|2,0,0]=4 6880 B11R1.4 FCCCNCc1cc[nH]n1 270004a_100015189416_100000738523 [0,2,0,0,0,0|2,0,0]=4 6881 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,2,0,0,0,0|0,0,0]=2 6882 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,2,0,0,0,0|0,0,0]=2 6883 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,2,0,0,0,0|0,0,0]=2 6884 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,2,0,0,0,0|0,0,0]=2 6885 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,2,0,0,0,0|0,1,0]=3 6886 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,2,0,0,0,0|0,1,0]=3 6887 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,2,0,0,0,0|0,1,0]=3 6888 B11R1.4 FCCCNCc1ccn[nH]1 2230a_100015189416_100000728653 [0,2,0,0,0,0|2,0,0]=4 6889 B11R1.4 FCCCNCc1ccn[nH]1 34a_100015189416_100000728653 [0,2,0,0,0,0|2,0,0]=4 6890 B11R1.4 FCCCNCc1ccoc1 207a_100015189416_100011215517 [0,2,0,0,0,0|2,0,0]=4 6891 B11R1.4 FCCCNCc1ccoc1 2230a_100015206860_100011934791 [0,2,0,0,0,0|2,0,0]=4 6892 B11R1.4 FCCCNCc1ccoc1 270004a_100015189416_100011215517 [0,2,0,0,0,0|2,0,0]=4 6893 B11R1.4 FCCCNCc1ccoc1 34a_100015206860_100011934791 [0,2,0,0,0,0|2,0,0]=4 6894 B11R1.4 FCCCNCc1ccon1 2230a_100015189416_100000234950 [0,2,0,0,0,0|2,0,0]=4 6895 B11R1.4 FCCCNCc1ccon1 34a_100015189416_100000234950 [0,2,0,0,0,0|2,0,0]=4 6896 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,2,0,0,0,0|2,0,0]=4 6897 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,2,0,0,0,0|2,0,0]=4 6898 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,2,0,0,0,0|2,0,0]=4 6899 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,2,0,0,0,0|2,0,0]=4 6900 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,2,0,0,0,0|2,0,0]=4 6901 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,2,0,0,0,0|2,0,0]=4 6902 B11R1.4 FCCCNCc1cnc[nH]1 207a_100015189416_100000742939 [0,2,0,0,0,0|2,0,0]=4 6903 B11R1.4 FCCCNCc1cnco1 270004a_100015189416_100000064291 [0,2,0,0,0,0|1,0,0]=3 6904 B11R1.4 FCCCNCc1cncs1 207a_100015189416_100000749870 [0,2,0,0,0,0|1,1,0]=4 6905 B11R1.4 FCCCNCc1cncs1 2230a_100015189416_100015185245 [0,2,0,0,0,0|1,1,0]=4 6906 B11R1.4 FCCCNCc1cncs1 2230a_100016987365_100011934791 [0,2,0,0,0,0|1,1,0]=4 6907 B11R1.4 FCCCNCc1cncs1 270004a_100015189416_100000749870 [0,2,0,0,0,0|1,1,0]=4 6908 B11R1.4 FCCCNCc1cncs1 34a_100015189416_100015185245 [0,2,0,0,0,0|1,1,0]=4 6909 B11R1.4 FCCCNCc1cocn1 270004a_100015189416_100000050382 [0,2,0,0,0,0|2,0,0]=4 6910 B11R1.4 FCCCNCc1cscn1 207a_100015189416_100000743575 [0,2,0,0,0,0|2,0,0]=4 6911 B11R1.4 FCCCNCc1cscn1 2230a_100015185402_100011934791 [0,2,0,0,0,0|2,0,0]=4 6912 B11R1.4 FCCCNCc1cscn1 2230a_100015189416_100000205941 [0,2,0,0,0,0|2,0,0]=4 6913 B11R1.4 FCCCNCc1cscn1 270004a_100015189416_100000743575 [0,2,0,0,0,0|2,0,0]=4 6914 B11R1.4 FCCCNCc1cscn1 34a_100015189416_100000205941 [0,2,0,0,0,0|2,0,0]=4 6915 B11R1.4 FCCCNCc1ncc[nH]1 207a_100015189416_100000743867 [0,2,0,0,0,0|2,0,0]=4 6916 B11R1.4 FCCCNCc1ncc[nH]1 2230a_100015189416_100016991755 [0,2,0,0,0,0|2,0,0]=4 6917 B11R1.4 FCCCNCc1ncc[nH]1 34a_100015189416_100016991755 [0,2,0,0,0,0|2,0,0]=4 6918 B11R1.4 FCCCNCc1ncco1 2230a_100015189416_103436540062 [0,2,0,0,0,0|1,0,0]=3 6919 B11R1.4 FCCCNCc1ncco1 2230a_100016994969_100011934791 [0,2,0,0,0,0|1,0,0]=3 6920 B11R1.4 FCCCNCc1ncco1 270004a_100015189416_100000064290 [0,2,0,0,0,0|1,0,0]=3 6921 B11R1.4 FCCCNCc1ncco1 34a_100015189416_103436540062 [0,2,0,0,0,0|1,0,0]=3 6922 B11R1.4 FCCCNCc1nccs1 207a_100015189416_100000750902 [0,2,0,0,0,0|1,1,0]=4 6923 B11R1.4 FCCCNCc1nccs1 2230a_100000740555_100011934791 [0,2,0,0,0,0|1,1,0]=4 6924 B11R1.4 FCCCNCc1nccs1 2230a_100015189416_100015184050 [0,2,0,0,0,0|1,1,0]=4 6925 B11R1.4 FCCCNCc1nccs1 270004a_100015189416_100000750902 [0,2,0,0,0,0|1,1,0]=4 6926 B11R1.4 FCCCNCc1nccs1 34a_100015189416_100015184050 [0,2,0,0,0,0|1,1,0]=4 6927 B11R1.4 FCCCOCc1c[nH]cn1 34a_100000759539_100000707719 [0,2,0,0,0,0|2,0,0]=4 6928 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [0,2,0,0,0,0|0,0,0]=2 6929 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [0,2,0,0,0,0|0,1,0]=3 6930 B11R1.4 FCCCOCc1ccn[nH]1 34a_100000759539_100000728653 [0,2,0,0,0,0|2,0,0]=4 6931 B11R1.4 FCCCOCc1ccno1 34a_100000740478_100011934791 [0,2,0,0,0,0|1,0,0]=3 6932 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [0,2,0,0,0,0|2,0,0]=4 6933 B11R1.4 FCCCOCc1ccon1 34a_100000759539_100000234950 [0,2,0,0,0,0|2,0,0]=4 6934 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,2,0,0,0,0|2,0,0]=4 6935 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,2,0,0,0,0|2,0,0]=4 6936 B11R1.4 FCCCOCc1cncs1 34a_100000759539_100015185245 [0,2,0,0,0,0|1,1,0]=4 6937 B11R1.4 FCCCOCc1cscn1 34a_100000759539_100000205941 [0,2,0,0,0,0|2,0,0]=4 6938 B11R1.4 FCCCOCc1ncc[nH]1 34a_100000759539_100016991755 [0,2,0,0,0,0|2,0,0]=4 6939 B11R1.4 FCCCOCc1ncco1 34a_100000062594_100011934791 [0,2,0,0,0,0|1,0,0]=3 6940 B11R1.4 FCCCOCc1ncco1 34a_100000759539_103436540062 [0,2,0,0,0,0|1,0,0]=3 6941 B11R1.4 FCCCOCc1nccs1 34a_100000759539_100015184050 [0,2,0,0,0,0|1,1,0]=4 6942 B11R1.4 FCCCOCn1cccn1 34a_100000731028_100011934791 [0,2,0,0,0,0|2,0,0]=4 6943 B11R1.4 FCCCSCc1c[nH]cn1 62a_100000707719_100011934791 [0,2,0,0,0,0|2,0,0]=4 6944 B11R1.4 FCCCSCc1c[nH]cn1 62a_100011934791_100000707719 [0,2,0,0,0,0|2,0,0]=4 6945 B11R1.4 FCCCSCc1ccn[nH]1 62a_100000728653_100011934791 [0,2,0,0,0,0|2,0,0]=4 6946 B11R1.4 FCCCSCc1ccn[nH]1 62a_100011934791_100000728653 [0,2,0,0,0,0|2,0,0]=4 6947 B11R1.4 FCCCSCc1ccon1 62a_100000234950_100011934791 [0,2,0,0,0,0|2,0,0]=4 6948 B11R1.4 FCCCSCc1ccon1 62a_100011934791_100000234950 [0,2,0,0,0,0|2,0,0]=4 6949 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [0,2,0,0,0,0|2,0,0]=4 6950 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [0,2,0,0,0,0|2,0,0]=4 6951 B11R1.4 FCCCSCc1cncs1 62a_100011934791_100015185245 [0,2,0,0,0,0|1,1,0]=4 6952 B11R1.4 FCCCSCc1cncs1 62a_100015185245_100011934791 [0,2,0,0,0,0|1,1,0]=4 6953 B11R1.4 FCCCSCc1cscn1 62a_100000205941_100011934791 [0,2,0,0,0,0|2,0,0]=4 6954 B11R1.4 FCCCSCc1cscn1 62a_100011934791_100000205941 [0,2,0,0,0,0|2,0,0]=4 6955 B11R1.4 FCCCSCc1ncc[nH]1 62a_100011934791_100016991755 [0,2,0,0,0,0|2,0,0]=4 6956 B11R1.4 FCCCSCc1ncc[nH]1 62a_100016991755_100011934791 [0,2,0,0,0,0|2,0,0]=4 6957 B11R1.4 FCCCSCc1ncco1 62a_100011934791_103436540062 [0,2,0,0,0,0|1,0,0]=3 6958 B11R1.4 FCCCSCc1ncco1 62a_103436540062_100011934791 [0,2,0,0,0,0|1,0,0]=3 6959 B11R1.4 FCCCSCc1nccs1 62a_100011934791_100015184050 [0,2,0,0,0,0|1,1,0]=4 6960 B11R1.4 FCCCSCc1nccs1 62a_100015184050_100011934791 [0,2,0,0,0,0|1,1,0]=4 6961 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [0,2,0,0,0,0|0,0,0]=2 6962 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [0,2,0,0,0,0|0,0,0]=2 6963 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [0,2,0,0,0,0|0,1,0]=3 6964 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [0,2,0,0,0,0|0,1,0]=3 6965 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [0,2,0,0,0,0|0,1,0]=3 6966 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [0,2,0,0,0,0|2,0,0]=4 6967 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [0,2,0,0,0,0|2,0,0]=4 6968 B11R1.4 FCCNCCc1cncs1 2230a_100016991637_100011217306 [0,2,0,0,0,0|1,1,0]=4 6969 B11R1.4 FCCNCCc1nccs1 2230a_100015186391_100011217306 [0,2,0,0,0,0|1,1,0]=4 6970 B11R1.4 FCCNCCn1cccc1 34a_100011368172_100011217306 [0,2,0,0,0,0|2,0,0]=4 6971 B11R1.4 FCCNCCn1cccn1 2230a_100011200920_100011217306 [0,2,0,0,0,0|2,0,0]=4 6972 B11R1.4 FCCNCCn1cccn1 34a_100000724931_100015204718 [0,2,0,0,0,0|2,0,0]=4 6973 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,2,0,0,0,0|0,1,0]=3 6974 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,2,0,0,0,0|0,1,0]=3 6975 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,2,0,0,0,0|2,0,0]=4 6976 B11R1.4 FCCOCCc1ncc[nH]1 34a_103549771195_100011217306 [0,2,0,0,0,0|2,0,0]=4 6977 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,2,0,0,0,0|2,0,0]=4 6978 B11R1.4 FCCOCCn1cccn1 34a_100000743371_100011217306 [0,2,0,0,0,0|2,0,0]=4 6979 B11R1.4 FCCSCCc1c[nH]cn1 62a_100011217306_100020628418 [0,2,0,0,0,0|2,0,0]=4 6980 B11R1.4 FCCSCCc1c[nH]cn1 62a_100020628418_100011217306 [0,2,0,0,0,0|2,0,0]=4 6981 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [0,2,0,0,0,0|0,1,0]=3 6982 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [0,2,0,0,0,0|0,1,0]=3 6983 B11R1.4 FCCSCCn1cccc1 62a_100011217306_200000035178 [0,2,0,0,0,0|2,0,0]=4 6984 B11R1.4 FCCSCCn1cccc1 62a_200009811947_100011217306 [0,2,0,0,0,0|2,0,0]=4 6985 B11R1.4 FCCSCCn1cccn1 62a_100011217306_100000685285 [0,2,0,0,0,0|2,0,0]=4 6986 B11R1.4 FCCSCCn1cccn1 62a_100015204718_100011217306 [0,2,0,0,0,0|2,0,0]=4 6987 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [0,2,0,0,0,0|0,1,0]=3 6988 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [0,2,0,0,0,0|0,1,0]=3 6989 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [0,2,0,0,0,0|2,0,0]=4 6990 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [0,2,0,0,0,0|2,0,0]=4 6991 B11R1.4 FCOCCCn1cccc1 34a_100000179399_100015361967 [0,2,0,0,0,0|2,0,0]=4 6992 B11R1.4 FCOCCCn1cccc1 7a_100000179399_100015361967 [0,2,0,0,0,0|2,0,0]=4 6993 B11R1.4 FCOCCCn1cccn1 34a_100000753614_100015361967 [0,2,0,0,0,0|2,0,0]=4 6994 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [0,2,0,0,0,0|0,1,0]=3 6995 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [0,2,0,0,0,0|0,1,0]=3 6996 B11R1.4 FCSCCCn1cccc1 62a_100015361967_200009814367 [0,2,0,0,0,0|2,0,0]=4 6997 B11R1.4 FCSCCCn1cccc1 62a_200009814367_100015361967 [0,2,0,0,0,0|2,0,0]=4 6998 B11R1.4 FCSCCCn1cccn1 62a_100000739983_100015361967 [0,2,0,0,0,0|2,0,0]=4 6999 B11R1.4 FCSCCCn1cccn1 62a_100015361967_100000739983 [0,2,0,0,0,0|2,0,0]=4 7000 B11R1.4 N#CCCCSc1ccco1 62a_100000687738_100009814098 [0,2,0,0,0,0|0,0,1]=3 7001 B11R1.4 N#CCCCSc1ccco1 62a_100009814098_100000687738 [0,2,0,0,0,0|0,0,1]=3 7002 B11R1.4 N#CCCCSc1cccs1 62a_100000687738_100011215356 [0,2,0,0,0,0|0,1,1]=4 7003 B11R1.4 N#CCCCSc1cccs1 62a_100011215356_100000687738 [0,2,0,0,0,0|0,1,1]=4 7004 B11R1.4 N#CCCCSc1cnco1 62a_100000687738_100020591547 [0,2,0,0,0,0|1,0,1]=4 7005 B11R1.4 N#CCCCSc1cnco1 62a_100020591547_100000687738 [0,2,0,0,0,0|1,0,1]=4 7006 B11R1.4 N#CCCCSc1ncco1 62a_100000687738_100011787736 [0,2,0,0,0,0|1,0,1]=4 7007 B11R1.4 N#CCCCSc1ncco1 62a_100011787736_100000687738 [0,2,0,0,0,0|1,0,1]=4 7008 B11R1.4 N#CCCNCc1ccco1 2230a_100000185738_100011215226 [0,2,0,0,0,0|0,0,1]=3 7009 B11R1.4 N#CCCNCc1ccco1 270004a_100000720768_100000186105 [0,2,0,0,0,0|0,0,1]=3 7010 B11R1.4 N#CCCNCc1cccs1 2230a_100000211653_100011215226 [0,2,0,0,0,0|0,1,1]=4 7011 B11R1.4 N#CCCNCc1cccs1 270004a_100000720768_100000209959 [0,2,0,0,0,0|0,1,1]=4 7012 B11R1.4 N#CCCNCc1cnco1 270004a_100000720768_100000064291 [0,2,0,0,0,0|1,0,1]=4 7013 B11R1.4 N#CCCNCc1ncco1 2230a_100016994969_100011215226 [0,2,0,0,0,0|1,0,1]=4 7014 B11R1.4 N#CCCNCc1ncco1 270004a_100000720768_100000064290 [0,2,0,0,0,0|1,0,1]=4 7015 B11R1.4 N#CCCSCc1ncco1 62a_100011215226_103436540062 [0,2,0,0,0,0|1,0,1]=4 7016 B11R1.4 N#CCCSCc1ncco1 62a_103436540062_100011215226 [0,2,0,0,0,0|1,0,1]=4 7017 B11R1.4 N#CCNCCc1ccco1 2230a_100000694680_100011215382 [0,2,0,0,0,0|0,0,1]=3 7018 B11R1.4 N#CCNCCc1cccs1 2230a_100000203755_100011215382 [0,2,0,0,0,0|0,1,1]=4 7019 B11R1.4 N#CCOCCc1cccs1 7a_100011216825_100011215382 [0,2,0,0,0,0|0,1,1]=4 7020 B11R1.4 N#CCSCCc1cccs1 62a_100000748579_100011215382 [0,2,0,0,0,0|0,1,1]=4 7021 B11R1.4 N#CCSCCc1cccs1 62a_100011215382_100000748579 [0,2,0,0,0,0|0,1,1]=4 7022 B11R1.4 N#CSCCSc1ccco1 62a_100000034367_100009814098 [0,2,0,0,0,0|1,0,1]=4 7023 B11R1.4 N#CSCCSc1ccco1 62a_100009814098_100000034367 [0,2,0,0,0,0|1,0,1]=4 7024 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [0,2,0,0,0,0|2,0,0]=4 7025 B11R1.4 NCCCOCc1ccn[nH]1 34a_100000182051_100000728653 [0,2,0,0,0,0|2,0,0]=4 7026 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [0,2,0,0,0,0|2,0,0]=4 7027 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,2,0,0,0,0|2,0,0]=4 7028 B11R1.4 NCCCOCc1cncs1 34a_100000182051_100015185245 [0,2,0,0,0,0|1,1,0]=4 7029 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,2,0,0,0,0|2,0,0]=4 7030 B11R1.4 NCCCOCc1ncc[nH]1 34a_100000182051_100016991755 [0,2,0,0,0,0|2,0,0]=4 7031 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [0,2,0,0,0,0|1,0,0]=3 7032 B11R1.4 NCCCOCc1nccs1 34a_100000182051_100015184050 [0,2,0,0,0,0|1,1,0]=4 7033 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,2,0,0,0,0|0,1,0]=3 7034 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,2,0,0,0,0|2,0,0]=4 7035 B11R1.4 NOCCOCc1ncco1 34a_100000700252_103436540062 [0,2,0,0,0,0|2,0,0]=4 7036 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [0,2,0,0,0,0|0,0,1]=3 7037 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [0,2,0,0,0,0|0,0,1]=3 7038 B11R1.4 O=CCCCSc1cccs1 62a_100011215356_200011292268 [0,2,0,0,0,0|0,1,1]=4 7039 B11R1.4 O=CCCCSc1cccs1 62a_200011292268_100011215356 [0,2,0,0,0,0|0,1,1]=4 7040 B11R1.4 O=CCCCSc1cnco1 62a_100020591547_200011292268 [0,2,0,0,0,0|1,0,1]=4 7041 B11R1.4 O=CCCCSc1cnco1 62a_200011292268_100020591547 [0,2,0,0,0,0|1,0,1]=4 7042 B11R1.4 O=CCCCSc1ncco1 62a_100011787736_200011292268 [0,2,0,0,0,0|1,0,1]=4 7043 B11R1.4 O=CCCCSc1ncco1 62a_200011292268_100011787736 [0,2,0,0,0,0|1,0,1]=4 7044 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [0,2,0,0,0,0|0,0,1]=3 7045 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [0,2,0,0,0,0|0,0,1]=3 7046 B11R1.4 O=CCNCCc1cccs1 2230a_100000203755_200015260668 [0,2,0,0,0,0|0,1,1]=4 7047 B11R1.4 O=CCNCCc1cccs1 34a_100000203755_200009817547 [0,2,0,0,0,0|0,1,1]=4 7048 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [0,2,0,0,0,0|0,1,1]=4 7049 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [0,2,0,0,0,0|0,1,1]=4 7050 B11R1.4 O=CCSCCc1cccs1 62a_100000748579_200015260668 [0,2,0,0,0,0|0,1,1]=4 7051 B11R1.4 O=CCSCCc1cccs1 62a_200015260668_100000748579 [0,2,0,0,0,0|0,1,1]=4 7052 B11R1.4 OCC#CCSc1ccco1 62a_100009814098_200000047223 [0,2,0,0,0,0|0,0,2]=4 7053 B11R1.4 OCC#CCSc1ccco1 62a_200000047223_100009814098 [0,2,0,0,0,0|0,0,2]=4 7054 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [0,2,0,0,0,0|2,0,0]=4 7055 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [0,2,0,0,0,0|2,0,0]=4 7056 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000210776_100000756875 [0,2,0,0,0,0|2,0,0]=4 7057 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000756875_100000210776 [0,2,0,0,0,0|2,0,0]=4 7058 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000062575_100000210776 [0,2,0,0,0,0|2,0,0]=4 7059 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000210776_100000062575 [0,2,0,0,0,0|2,0,0]=4 7060 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,2,0,0,0,0|0,0,0]=2 7061 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,2,0,0,0,0|0,0,0]=2 7062 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,2,0,0,0,0|0,1,0]=3 7063 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,2,0,0,0,0|0,1,0]=3 7064 B11R1.4 OCCCCSc1ccoc1 62a_100000210776_100011215275 [0,2,0,0,0,0|2,0,0]=4 7065 B11R1.4 OCCCCSc1ccoc1 62a_100011215275_100000210776 [0,2,0,0,0,0|2,0,0]=4 7066 B11R1.4 OCCCCSc1ccon1 62a_100000210776_100009818083 [0,2,0,0,0,0|2,0,0]=4 7067 B11R1.4 OCCCCSc1ccon1 62a_100009818083_100000210776 [0,2,0,0,0,0|2,0,0]=4 7068 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [0,2,0,0,0,0|2,0,0]=4 7069 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [0,2,0,0,0,0|2,0,0]=4 7070 B11R1.4 OCCCCSc1ccsn1 62a_100000210776_100009818082 [0,2,0,0,0,0|2,0,0]=4 7071 B11R1.4 OCCCCSc1ccsn1 62a_100009818082_100000210776 [0,2,0,0,0,0|2,0,0]=4 7072 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [0,2,0,0,0,0|1,0,0]=3 7073 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [0,2,0,0,0,0|1,0,0]=3 7074 B11R1.4 OCCCCSc1cncs1 62a_100000210776_100011934649 [0,2,0,0,0,0|1,1,0]=4 7075 B11R1.4 OCCCCSc1cncs1 62a_100011934649_100000210776 [0,2,0,0,0,0|1,1,0]=4 7076 B11R1.4 OCCCCSc1cscn1 62a_100000210776_100000751502 [0,2,0,0,0,0|2,0,0]=4 7077 B11R1.4 OCCCCSc1cscn1 62a_100000751502_100000210776 [0,2,0,0,0,0|2,0,0]=4 7078 B11R1.4 OCCCCSc1ncc[nH]1 62a_100000210776_100025796157 [0,2,0,0,0,0|2,0,0]=4 7079 B11R1.4 OCCCCSc1ncc[nH]1 62a_100025796157_100000210776 [0,2,0,0,0,0|2,0,0]=4 7080 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [0,2,0,0,0,0|1,0,0]=3 7081 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [0,2,0,0,0,0|1,0,0]=3 7082 B11R1.4 OCCCCSc1nccs1 62a_100000210776_100000211983 [0,2,0,0,0,0|1,1,0]=4 7083 B11R1.4 OCCCCSc1nccs1 62a_100000211983_100000210776 [0,2,0,0,0,0|1,1,0]=4 7084 B11R1.4 OCCCNCc1cc[nH]n1 207a_100000182051_100000738523 [0,2,0,0,0,0|2,0,0]=4 7085 B11R1.4 OCCCNCc1cc[nH]n1 270004a_100000182051_100000738523 [0,2,0,0,0,0|2,0,0]=4 7086 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,2,0,0,0,0|0,0,0]=2 7087 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,2,0,0,0,0|0,0,0]=2 7088 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,2,0,0,0,0|0,0,0]=2 7089 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,2,0,0,0,0|0,0,0]=2 7090 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,2,0,0,0,0|0,1,0]=3 7091 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,2,0,0,0,0|0,1,0]=3 7092 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,2,0,0,0,0|0,1,0]=3 7093 B11R1.4 OCCCNCc1ccoc1 207a_100000182051_100011215517 [0,2,0,0,0,0|2,0,0]=4 7094 B11R1.4 OCCCNCc1ccoc1 2230a_100015206860_100000230001 [0,2,0,0,0,0|2,0,0]=4 7095 B11R1.4 OCCCNCc1ccoc1 270004a_100000182051_100011215517 [0,2,0,0,0,0|2,0,0]=4 7096 B11R1.4 OCCCNCc1ccoc1 34a_100015206860_100000230001 [0,2,0,0,0,0|2,0,0]=4 7097 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,2,0,0,0,0|2,0,0]=4 7098 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,2,0,0,0,0|2,0,0]=4 7099 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,2,0,0,0,0|2,0,0]=4 7100 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,2,0,0,0,0|2,0,0]=4 7101 B11R1.4 OCCCNCc1cnc[nH]1 207a_100000182051_100000742939 [0,2,0,0,0,0|2,0,0]=4 7102 B11R1.4 OCCCNCc1cnco1 270004a_100000182051_100000064291 [0,2,0,0,0,0|1,0,0]=3 7103 B11R1.4 OCCCNCc1cncs1 207a_100000182051_100000749870 [0,2,0,0,0,0|1,1,0]=4 7104 B11R1.4 OCCCNCc1cncs1 2230a_100016987365_100000230001 [0,2,0,0,0,0|1,1,0]=4 7105 B11R1.4 OCCCNCc1cncs1 270004a_100000182051_100000749870 [0,2,0,0,0,0|1,1,0]=4 7106 B11R1.4 OCCCNCc1cocn1 270004a_100000182051_100000050382 [0,2,0,0,0,0|2,0,0]=4 7107 B11R1.4 OCCCNCc1cscn1 207a_100000182051_100000743575 [0,2,0,0,0,0|2,0,0]=4 7108 B11R1.4 OCCCNCc1cscn1 2230a_100015185402_100000230001 [0,2,0,0,0,0|2,0,0]=4 7109 B11R1.4 OCCCNCc1cscn1 270004a_100000182051_100000743575 [0,2,0,0,0,0|2,0,0]=4 7110 B11R1.4 OCCCNCc1ncc[nH]1 207a_100000182051_100000743867 [0,2,0,0,0,0|2,0,0]=4 7111 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [0,2,0,0,0,0|1,0,0]=3 7112 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [0,2,0,0,0,0|1,0,0]=3 7113 B11R1.4 OCCCNCc1nccs1 207a_100000182051_100000750902 [0,2,0,0,0,0|1,1,0]=4 7114 B11R1.4 OCCCNCc1nccs1 2230a_100000740555_100000230001 [0,2,0,0,0,0|1,1,0]=4 7115 B11R1.4 OCCCNCc1nccs1 270004a_100000182051_100000750902 [0,2,0,0,0,0|1,1,0]=4 7116 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [0,2,0,0,0,0|0,0,0]=2 7117 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [0,2,0,0,0,0|0,1,0]=3 7118 B11R1.4 OCCCOCc1ccno1 34a_100000740478_100000230001 [0,2,0,0,0,0|1,0,0]=3 7119 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [0,2,0,0,0,0|2,0,0]=4 7120 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,2,0,0,0,0|2,0,0]=4 7121 B11R1.4 OCCCOCc1ncco1 34a_100000062594_100000230001 [0,2,0,0,0,0|1,0,0]=3 7122 B11R1.4 OCCCOCn1cccn1 34a_100000731028_100000230001 [0,2,0,0,0,0|2,0,0]=4 7123 B11R1.4 OCCCSCc1c[nH]cn1 62a_100000707719_100011215043 [0,2,0,0,0,0|2,0,0]=4 7124 B11R1.4 OCCCSCc1c[nH]cn1 62a_100011215043_100000707719 [0,2,0,0,0,0|2,0,0]=4 7125 B11R1.4 OCCCSCc1ccn[nH]1 62a_100000728653_100011215043 [0,2,0,0,0,0|2,0,0]=4 7126 B11R1.4 OCCCSCc1ccn[nH]1 62a_100011215043_100000728653 [0,2,0,0,0,0|2,0,0]=4 7127 B11R1.4 OCCCSCc1ccon1 62a_100000234950_100011215043 [0,2,0,0,0,0|2,0,0]=4 7128 B11R1.4 OCCCSCc1ccon1 62a_100011215043_100000234950 [0,2,0,0,0,0|2,0,0]=4 7129 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [0,2,0,0,0,0|2,0,0]=4 7130 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [0,2,0,0,0,0|2,0,0]=4 7131 B11R1.4 OCCCSCc1cncs1 62a_100011215043_100015185245 [0,2,0,0,0,0|1,1,0]=4 7132 B11R1.4 OCCCSCc1cncs1 62a_100015185245_100011215043 [0,2,0,0,0,0|1,1,0]=4 7133 B11R1.4 OCCCSCc1cscn1 62a_100000205941_100011215043 [0,2,0,0,0,0|2,0,0]=4 7134 B11R1.4 OCCCSCc1cscn1 62a_100011215043_100000205941 [0,2,0,0,0,0|2,0,0]=4 7135 B11R1.4 OCCCSCc1ncc[nH]1 62a_100011215043_100016991755 [0,2,0,0,0,0|2,0,0]=4 7136 B11R1.4 OCCCSCc1ncc[nH]1 62a_100016991755_100011215043 [0,2,0,0,0,0|2,0,0]=4 7137 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [0,2,0,0,0,0|1,0,0]=3 7138 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [0,2,0,0,0,0|1,0,0]=3 7139 B11R1.4 OCCCSCc1nccs1 62a_100011215043_100015184050 [0,2,0,0,0,0|1,1,0]=4 7140 B11R1.4 OCCCSCc1nccs1 62a_100015184050_100011215043 [0,2,0,0,0,0|1,1,0]=4 7141 B11R1.4 OCCNCCc1c[nH]cn1 2230a_100016997473_100020628418 [0,2,0,0,0,0|2,0,0]=4 7142 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [0,2,0,0,0,0|0,0,0]=2 7143 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [0,2,0,0,0,0|0,0,0]=2 7144 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [0,2,0,0,0,0|0,1,0]=3 7145 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [0,2,0,0,0,0|0,1,0]=3 7146 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [0,2,0,0,0,0|0,1,0]=3 7147 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [0,2,0,0,0,0|0,1,0]=3 7148 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [0,2,0,0,0,0|2,0,0]=4 7149 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [0,2,0,0,0,0|2,0,0]=4 7150 B11R1.4 OCCNCCc1cncs1 2230a_100016991637_100000211926 [0,2,0,0,0,0|1,1,0]=4 7151 B11R1.4 OCCNCCc1nccs1 2230a_100015186391_100000211926 [0,2,0,0,0,0|1,1,0]=4 7152 B11R1.4 OCCNCCn1cccc1 2230a_100016997473_200009811947 [0,2,0,0,0,0|2,0,0]=4 7153 B11R1.4 OCCNCCn1cccc1 34a_100011368172_100000211926 [0,2,0,0,0,0|2,0,0]=4 7154 B11R1.4 OCCNCCn1cccn1 2230a_100011200920_100000211926 [0,2,0,0,0,0|2,0,0]=4 7155 B11R1.4 OCCNCCn1cccn1 2230a_100016997473_100000685285 [0,2,0,0,0,0|2,0,0]=4 7156 B11R1.4 OCCNCCn1cccn1 34a_100016990907_100015204718 [0,2,0,0,0,0|2,0,0]=4 7157 B11R1.4 OCCNN=Cc1ccco1 4a_100000210001_100000186105 [0,2,0,0,0,0|1,0,1]=4 7158 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,2,0,0,0,0|0,1,0]=3 7159 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,2,0,0,0,0|0,1,0]=3 7160 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,2,0,0,0,0|2,0,0]=4 7161 B11R1.4 OCCOCCc1ncc[nH]1 34a_103549771195_100000211926 [0,2,0,0,0,0|2,0,0]=4 7162 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,2,0,0,0,0|2,0,0]=4 7163 B11R1.4 OCCOCCn1cccn1 34a_100000743371_100000211926 [0,2,0,0,0,0|2,0,0]=4 7164 B11R1.4 OCCSCCc1c[nH]cn1 62a_100000211926_100020628418 [0,2,0,0,0,0|2,0,0]=4 7165 B11R1.4 OCCSCCc1c[nH]cn1 62a_100020628418_100000211926 [0,2,0,0,0,0|2,0,0]=4 7166 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [0,2,0,0,0,0|0,1,0]=3 7167 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [0,2,0,0,0,0|0,1,0]=3 7168 B11R1.4 OCCSCCn1cccc1 62a_100000211926_200000035178 [0,2,0,0,0,0|2,0,0]=4 7169 B11R1.4 OCCSCCn1cccc1 62a_200009811947_100000211926 [0,2,0,0,0,0|2,0,0]=4 7170 B11R1.4 OCCSCCn1cccn1 62a_100000211926_100000685285 [0,2,0,0,0,0|2,0,0]=4 7171 B11R1.4 OCCSCCn1cccn1 62a_100015204718_100000211926 [0,2,0,0,0,0|2,0,0]=4 7172 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [0,2,0,0,0,0|0,0,0]=2 7173 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [0,2,0,0,0,0|0,0,0]=2 7174 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,2,0,0,0,0|1,0,0]=3 7175 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,2,0,0,0,0|1,0,0]=3 7176 B11R1.25 C#CC(C)NCc1cccs1 270004a_100000707721_100000209959 [0,2,0,0,0,0|1,1,0]=4 7177 B11R1.25 C#CC(C)NCc1cnco1 270004a_100000707721_100000064291 [0,2,0,0,0,0|2,0,0]=4 7178 B11R1.25 C#CC(C)NCc1ncco1 2230a_100000707721_103436540062 [0,2,0,0,0,0|2,0,0]=4 7179 B11R1.25 C#CC(C)NCc1ncco1 270004a_100000707721_100000064290 [0,2,0,0,0,0|2,0,0]=4 7180 B11R1.25 C#CC(C)NCc1ncco1 34a_100000707721_103436540062 [0,2,0,0,0,0|2,0,0]=4 7181 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,2,0,0,0,0|1,0,0]=3 7182 B11R1.25 C#CC(C)OCc1cccs1 34a_100000211240_200000035995 [0,2,0,0,0,0|1,1,0]=4 7183 B11R1.25 C#CC(C)OCc1ccno1 34a_100000740478_200000035995 [0,2,0,0,0,0|2,0,0]=4 7184 B11R1.25 C#CC(C)OCc1ncco1 34a_100000062594_200000035995 [0,2,0,0,0,0|2,0,0]=4 7185 B11R1.25 C#CC(C)SCc1ncco1 62a_200000035995_103436540062 [0,2,0,0,0,0|2,0,0]=4 7186 B11R1.25 C#C[C@@H](C)OCc1ncco1 34a_100009815206_103436540062 [0,2,0,0,0,0|2,0,0]=4 7187 B11R1.25 C#C[C@@H](C)OCc1ncco1 7a_100009815206_103436540062 [0,2,0,0,0,0|2,0,0]=4 7188 B11R1.25 C=CC(C)OCc1ncco1 34a_100000695699_103436540062 [0,2,0,0,0,0|2,0,0]=4 7189 B11R1.25 C=CC(C)SCc1ncco1 62a_100011215867_103436540062 [0,2,0,0,0,0|2,0,0]=4 7190 B11R1.25 C=CC(O)CSc1ccco1 62a_100000730141_100009814098 [0,2,0,0,0,0|0,0,2]=4 7191 B11R1.25 C=CC(O)CSc1ccco1 62a_100009814098_100000730141 [0,2,0,0,0,0|0,0,2]=4 7192 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,2,0,0,0,0|1,0,0]=3 7193 B11R1.25 CC(C#N)NCc1cccs1 2230a_100000211653_100000184139 [0,2,0,0,0,0|1,1,0]=4 7194 B11R1.25 CC(C#N)NCc1ncco1 2230a_100000737613_103436540062 [0,2,0,0,0,0|2,0,0]=4 7195 B11R1.25 CC(C#N)NCc1ncco1 2230a_100016994969_100000184139 [0,2,0,0,0,0|2,0,0]=4 7196 B11R1.25 CC(C#N)OCc1ncco1 34a_100011218135_103436540062 [0,2,0,0,0,0|2,0,0]=4 7197 B11R1.25 CC(C#N)SCc1ncco1 62a_100000703298_103436540062 [0,2,0,0,0,0|2,0,0]=4 7198 B11R1.25 CC(C#N)SCc1ncco1 62a_103436540062_100000703298 [0,2,0,0,0,0|2,0,0]=4 7199 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,2,0,0,0,0|0,0,0]=2 7200 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,2,0,0,0,0|0,0,0]=2 7201 B11R1.25 CC(CF)OCc1ncco1 34a_100016041109_103436540062 [0,2,0,0,0,0|2,0,0]=4 7202 B11R1.25 CC(CF)OCc1ncco1 7a_100016041109_103436540062 [0,2,0,0,0,0|2,0,0]=4 7203 B11R1.25 CC(CN)OCc1ncco1 34a_100000210904_103436540062 [0,2,0,0,0,0|2,0,0]=4 7204 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,2,0,0,0,0|1,0,0]=3 7205 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,2,0,0,0,0|1,0,0]=3 7206 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,2,0,0,0,0|1,1,0]=4 7207 B11R1.25 CC(CO)NCc1ncco1 2230a_100016994969_100012180447 [0,2,0,0,0,0|2,0,0]=4 7208 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,2,0,0,0,0|1,0,0]=3 7209 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,2,0,0,0,0|1,1,0]=4 7210 B11R1.25 CC(CO)OCc1ccno1 34a_100000740478_100012180447 [0,2,0,0,0,0|2,0,0]=4 7211 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,2,0,0,0,0|2,0,0]=4 7212 B11R1.25 CC(CO)SCc1ncco1 62a_100012180447_103436540062 [0,2,0,0,0,0|2,0,0]=4 7213 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,2,0,0,0,0|2,0,0]=4 7214 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,2,0,0,0,0|2,0,0]=4 7215 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,2,0,0,0,0|1,0,0]=3 7216 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,2,0,0,0,0|0,0,0]=2 7217 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,2,0,0,0,0|0,1,0]=3 7218 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,2,0,0,0,0|0,1,0]=3 7219 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,2,0,0,0,0|2,0,0]=4 7220 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,2,0,0,0,0|2,0,0]=4 7221 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,2,0,0,0,0|1,1,0]=4 7222 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,2,0,0,0,0|2,0,0]=4 7223 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,2,0,0,0,0|1,1,0]=4 7224 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,2,0,0,0,0|2,0,0]=4 7225 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,2,0,0,0,0|2,0,0]=4 7226 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,2,0,0,0,0|2,0,0]=4 7227 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,2,0,0,0,0|2,0,0]=4 7228 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,2,0,0,0,0|0,0,1]=3 7229 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,2,0,0,0,0|0,0,1]=3 7230 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,2,0,0,0,0|0,1,1]=4 7231 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,2,0,0,0,0|0,1,1]=4 7232 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,2,0,0,0,0|1,0,1]=4 7233 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,2,0,0,0,0|1,0,1]=4 7234 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,2,0,0,0,0|1,0,1]=4 7235 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,2,0,0,0,0|1,0,1]=4 7236 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7237 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7238 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,2,0,0,0,0|1,0,1]=4 7239 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,2,0,0,0,0|0,0,1]=3 7240 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,2,0,0,0,0|0,0,1]=3 7241 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,2,0,0,0,0|0,0,1]=3 7242 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,2,0,0,0,0|0,0,1]=3 7243 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,2,0,0,0,0|0,1,1]=4 7244 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,2,0,0,0,0|0,1,1]=4 7245 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,2,0,0,0,0|0,1,1]=4 7246 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,2,0,0,0,0|0,1,1]=4 7247 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,2,0,0,0,0|1,0,1]=4 7248 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,2,0,0,0,0|1,0,1]=4 7249 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,2,0,0,0,0|1,0,1]=4 7250 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,2,0,0,0,0|1,0,1]=4 7251 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,2,0,0,0,0|1,0,1]=4 7252 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,2,0,0,0,0|1,0,1]=4 7253 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,2,0,0,0,0|1,0,1]=4 7254 B11R1.25 CCC(C)COc1ccsc1 34a_100000106738_100000748023 [0,2,0,0,0,0|2,0,0]=4 7255 B11R1.25 CCC(C)COc1ccsc1 7a_100000106738_100000748023 [0,2,0,0,0,0|2,0,0]=4 7256 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000748023_100000756875 [0,2,0,0,0,0|2,0,0]=4 7257 B11R1.25 CCC(C)CSc1c[nH]cn1 62a_100000756875_100000748023 [0,2,0,0,0,0|2,0,0]=4 7258 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000062575_100000748023 [0,2,0,0,0,0|2,0,0]=4 7259 B11R1.25 CCC(C)CSc1cc[nH]n1 62a_100000748023_100000062575 [0,2,0,0,0,0|2,0,0]=4 7260 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,2,0,0,0,0|0,0,0]=2 7261 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,2,0,0,0,0|0,0,0]=2 7262 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [0,2,0,0,0,0|0,1,0]=3 7263 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [0,2,0,0,0,0|0,1,0]=3 7264 B11R1.25 CCC(C)CSc1ccoc1 62a_100000748023_100011215275 [0,2,0,0,0,0|2,0,0]=4 7265 B11R1.25 CCC(C)CSc1ccoc1 62a_100011215275_100000748023 [0,2,0,0,0,0|2,0,0]=4 7266 B11R1.25 CCC(C)CSc1ccon1 62a_100000748023_100009818083 [0,2,0,0,0,0|2,0,0]=4 7267 B11R1.25 CCC(C)CSc1ccon1 62a_100009818083_100000748023 [0,2,0,0,0,0|2,0,0]=4 7268 B11R1.25 CCC(C)CSc1ccsc1 62a_100000738268_100000748023 [0,2,0,0,0,0|2,0,0]=4 7269 B11R1.25 CCC(C)CSc1ccsc1 62a_100000748023_100000738268 [0,2,0,0,0,0|2,0,0]=4 7270 B11R1.25 CCC(C)CSc1ccsn1 62a_100000748023_100009818082 [0,2,0,0,0,0|2,0,0]=4 7271 B11R1.25 CCC(C)CSc1ccsn1 62a_100009818082_100000748023 [0,2,0,0,0,0|2,0,0]=4 7272 B11R1.25 CCC(C)CSc1cnco1 62a_100000748023_100020591547 [0,2,0,0,0,0|1,0,0]=3 7273 B11R1.25 CCC(C)CSc1cnco1 62a_100020591547_100000748023 [0,2,0,0,0,0|1,0,0]=3 7274 B11R1.25 CCC(C)CSc1cncs1 62a_100000748023_100011934649 [0,2,0,0,0,0|1,1,0]=4 7275 B11R1.25 CCC(C)CSc1cncs1 62a_100011934649_100000748023 [0,2,0,0,0,0|1,1,0]=4 7276 B11R1.25 CCC(C)CSc1cscn1 62a_100000748023_100000751502 [0,2,0,0,0,0|2,0,0]=4 7277 B11R1.25 CCC(C)CSc1cscn1 62a_100000751502_100000748023 [0,2,0,0,0,0|2,0,0]=4 7278 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100000748023_100025796157 [0,2,0,0,0,0|2,0,0]=4 7279 B11R1.25 CCC(C)CSc1ncc[nH]1 62a_100025796157_100000748023 [0,2,0,0,0,0|2,0,0]=4 7280 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [0,2,0,0,0,0|1,0,0]=3 7281 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [0,2,0,0,0,0|1,0,0]=3 7282 B11R1.25 CCC(C)CSc1nccs1 62a_100000211983_100000748023 [0,2,0,0,0,0|1,1,0]=4 7283 B11R1.25 CCC(C)CSc1nccs1 62a_100000748023_100000211983 [0,2,0,0,0,0|1,1,0]=4 7284 B11R1.25 CCC(C)NCc1c[nH]cn1 2230a_100000209981_100000707719 [0,2,0,0,0,0|2,0,0]=4 7285 B11R1.25 CCC(C)NCc1cc[nH]n1 207a_100000209981_100000738523 [0,2,0,0,0,0|2,0,0]=4 7286 B11R1.25 CCC(C)NCc1cc[nH]n1 270004a_100000209981_100000738523 [0,2,0,0,0,0|2,0,0]=4 7287 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,2,0,0,0,0|0,0,0]=2 7288 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,2,0,0,0,0|0,0,0]=2 7289 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,2,0,0,0,0|0,0,0]=2 7290 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,2,0,0,0,0|0,0,0]=2 7291 B11R1.25 CCC(C)NCc1cccs1 207a_100000209981_100000209959 [0,2,0,0,0,0|0,1,0]=3 7292 B11R1.25 CCC(C)NCc1cccs1 2230a_100000211653_100000758301 [0,2,0,0,0,0|0,1,0]=3 7293 B11R1.25 CCC(C)NCc1cccs1 270004a_100000209981_100000209959 [0,2,0,0,0,0|0,1,0]=3 7294 B11R1.25 CCC(C)NCc1ccn[nH]1 2230a_100000209981_100000728653 [0,2,0,0,0,0|2,0,0]=4 7295 B11R1.25 CCC(C)NCc1ccoc1 207a_100000209981_100011215517 [0,2,0,0,0,0|2,0,0]=4 7296 B11R1.25 CCC(C)NCc1ccoc1 2230a_100015206860_100000758301 [0,2,0,0,0,0|2,0,0]=4 7297 B11R1.25 CCC(C)NCc1ccoc1 270004a_100000209981_100011215517 [0,2,0,0,0,0|2,0,0]=4 7298 B11R1.25 CCC(C)NCc1ccoc1 34a_100015206860_100011215416 [0,2,0,0,0,0|2,0,0]=4 7299 B11R1.25 CCC(C)NCc1ccon1 2230a_100000209981_100000234950 [0,2,0,0,0,0|2,0,0]=4 7300 B11R1.25 CCC(C)NCc1ccsc1 207a_100000209981_100000188534 [0,2,0,0,0,0|2,0,0]=4 7301 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000186416_100000758301 [0,2,0,0,0,0|2,0,0]=4 7302 B11R1.25 CCC(C)NCc1ccsc1 2230a_100000209981_100011261437 [0,2,0,0,0,0|2,0,0]=4 7303 B11R1.25 CCC(C)NCc1ccsc1 270004a_100000209981_100000188534 [0,2,0,0,0,0|2,0,0]=4 7304 B11R1.25 CCC(C)NCc1ccsc1 34a_100000186416_100011215416 [0,2,0,0,0,0|2,0,0]=4 7305 B11R1.25 CCC(C)NCc1cnc[nH]1 207a_100000209981_100000742939 [0,2,0,0,0,0|2,0,0]=4 7306 B11R1.25 CCC(C)NCc1cnco1 270004a_100000209981_100000064291 [0,2,0,0,0,0|1,0,0]=3 7307 B11R1.25 CCC(C)NCc1cncs1 207a_100000209981_100000749870 [0,2,0,0,0,0|1,1,0]=4 7308 B11R1.25 CCC(C)NCc1cncs1 2230a_100000209981_100015185245 [0,2,0,0,0,0|1,1,0]=4 7309 B11R1.25 CCC(C)NCc1cncs1 2230a_100016987365_100000758301 [0,2,0,0,0,0|1,1,0]=4 7310 B11R1.25 CCC(C)NCc1cncs1 270004a_100000209981_100000749870 [0,2,0,0,0,0|1,1,0]=4 7311 B11R1.25 CCC(C)NCc1cocn1 270004a_100000209981_100000050382 [0,2,0,0,0,0|2,0,0]=4 7312 B11R1.25 CCC(C)NCc1cscn1 207a_100000209981_100000743575 [0,2,0,0,0,0|2,0,0]=4 7313 B11R1.25 CCC(C)NCc1cscn1 2230a_100000209981_100000205941 [0,2,0,0,0,0|2,0,0]=4 7314 B11R1.25 CCC(C)NCc1cscn1 2230a_100015185402_100000758301 [0,2,0,0,0,0|2,0,0]=4 7315 B11R1.25 CCC(C)NCc1cscn1 270004a_100000209981_100000743575 [0,2,0,0,0,0|2,0,0]=4 7316 B11R1.25 CCC(C)NCc1ncc[nH]1 207a_100000209981_100000743867 [0,2,0,0,0,0|2,0,0]=4 7317 B11R1.25 CCC(C)NCc1ncc[nH]1 2230a_100000209981_100016991755 [0,2,0,0,0,0|2,0,0]=4 7318 B11R1.25 CCC(C)NCc1ncco1 2230a_100000209981_103436540062 [0,2,0,0,0,0|1,0,0]=3 7319 B11R1.25 CCC(C)NCc1ncco1 2230a_100016994969_100000758301 [0,2,0,0,0,0|1,0,0]=3 7320 B11R1.25 CCC(C)NCc1ncco1 270004a_100000209981_100000064290 [0,2,0,0,0,0|1,0,0]=3 7321 B11R1.25 CCC(C)NCc1nccs1 207a_100000209981_100000750902 [0,2,0,0,0,0|1,1,0]=4 7322 B11R1.25 CCC(C)NCc1nccs1 2230a_100000209981_100015184050 [0,2,0,0,0,0|1,1,0]=4 7323 B11R1.25 CCC(C)NCc1nccs1 2230a_100000740555_100000758301 [0,2,0,0,0,0|1,1,0]=4 7324 B11R1.25 CCC(C)NCc1nccs1 270004a_100000209981_100000750902 [0,2,0,0,0,0|1,1,0]=4 7325 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,2,0,0,0,0|0,0,0]=2 7326 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,2,0,0,0,0|0,1,0]=3 7327 B11R1.25 CCC(C)OCc1ccn[nH]1 7a_100000210228_100000728653 [0,2,0,0,0,0|2,0,0]=4 7328 B11R1.25 CCC(C)OCc1ccno1 34a_100000740478_100011215416 [0,2,0,0,0,0|1,0,0]=3 7329 B11R1.25 CCC(C)OCc1ccoc1 34a_100011215357_100011215416 [0,2,0,0,0,0|2,0,0]=4 7330 B11R1.25 CCC(C)OCc1ccon1 7a_100000210228_100000234950 [0,2,0,0,0,0|2,0,0]=4 7331 B11R1.25 CCC(C)OCc1ccsc1 34a_100011215551_100011215416 [0,2,0,0,0,0|2,0,0]=4 7332 B11R1.25 CCC(C)OCc1ccsc1 7a_100000210228_100011261437 [0,2,0,0,0,0|2,0,0]=4 7333 B11R1.25 CCC(C)OCc1cncs1 7a_100000210228_100015185245 [0,2,0,0,0,0|1,1,0]=4 7334 B11R1.25 CCC(C)OCc1cscn1 7a_100000210228_100000205941 [0,2,0,0,0,0|2,0,0]=4 7335 B11R1.25 CCC(C)OCc1ncc[nH]1 7a_100000210228_100000753453 [0,2,0,0,0,0|2,0,0]=4 7336 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,2,0,0,0,0|1,0,0]=3 7337 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,2,0,0,0,0|1,0,0]=3 7338 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,2,0,0,0,0|1,1,0]=4 7339 B11R1.25 CCC(C)OCn1cccn1 34a_100000731028_100011215416 [0,2,0,0,0,0|2,0,0]=4 7340 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000707719_100000758301 [0,2,0,0,0,0|2,0,0]=4 7341 B11R1.25 CCC(C)SCc1c[nH]cn1 62a_100000758301_100000707719 [0,2,0,0,0,0|2,0,0]=4 7342 B11R1.25 CCC(C)SCc1ccn[nH]1 62a_100000728653_100000758301 [0,2,0,0,0,0|2,0,0]=4 7343 B11R1.25 CCC(C)SCc1ccn[nH]1 62a_100000758301_100000728653 [0,2,0,0,0,0|2,0,0]=4 7344 B11R1.25 CCC(C)SCc1ccon1 62a_100000234950_100000758301 [0,2,0,0,0,0|2,0,0]=4 7345 B11R1.25 CCC(C)SCc1ccon1 62a_100000758301_100000234950 [0,2,0,0,0,0|2,0,0]=4 7346 B11R1.25 CCC(C)SCc1ccsc1 62a_100000758301_100011233845 [0,2,0,0,0,0|2,0,0]=4 7347 B11R1.25 CCC(C)SCc1ccsc1 62a_100011261437_100000758301 [0,2,0,0,0,0|2,0,0]=4 7348 B11R1.25 CCC(C)SCc1cncs1 62a_100000758301_100015185245 [0,2,0,0,0,0|1,1,0]=4 7349 B11R1.25 CCC(C)SCc1cncs1 62a_100015185245_100000758301 [0,2,0,0,0,0|1,1,0]=4 7350 B11R1.25 CCC(C)SCc1cscn1 62a_100000205941_100000758301 [0,2,0,0,0,0|2,0,0]=4 7351 B11R1.25 CCC(C)SCc1cscn1 62a_100000758301_100000205941 [0,2,0,0,0,0|2,0,0]=4 7352 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100000758301_100016991755 [0,2,0,0,0,0|2,0,0]=4 7353 B11R1.25 CCC(C)SCc1ncc[nH]1 62a_100016991755_100000758301 [0,2,0,0,0,0|2,0,0]=4 7354 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [0,2,0,0,0,0|1,0,0]=3 7355 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [0,2,0,0,0,0|1,0,0]=3 7356 B11R1.25 CCC(C)SCc1nccs1 62a_100000758301_100015184050 [0,2,0,0,0,0|1,1,0]=4 7357 B11R1.25 CCC(C)SCc1nccs1 62a_100015184050_100000758301 [0,2,0,0,0,0|1,1,0]=4 7358 B11R1.25 CCC(O)COc1ccsc1 34a_100000106738_100011218378 [0,2,0,0,0,0|2,0,0]=4 7359 B11R1.25 CCC(O)COc1ccsc1 7a_100000106738_100011218378 [0,2,0,0,0,0|2,0,0]=4 7360 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100000756875_100011218378 [0,2,0,0,0,0|2,0,0]=4 7361 B11R1.25 CCC(O)CSc1c[nH]cn1 62a_100011218378_100000756875 [0,2,0,0,0,0|2,0,0]=4 7362 B11R1.25 CCC(O)CSc1cc[nH]n1 62a_100000062575_100011218378 [0,2,0,0,0,0|2,0,0]=4 7363 B11R1.25 CCC(O)CSc1cc[nH]n1 62a_100011218378_100000062575 [0,2,0,0,0,0|2,0,0]=4 7364 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,2,0,0,0,0|0,0,0]=2 7365 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,2,0,0,0,0|0,0,0]=2 7366 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [0,2,0,0,0,0|0,1,0]=3 7367 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [0,2,0,0,0,0|0,1,0]=3 7368 B11R1.25 CCC(O)CSc1ccoc1 62a_100011215275_100011218378 [0,2,0,0,0,0|2,0,0]=4 7369 B11R1.25 CCC(O)CSc1ccoc1 62a_100011218378_100011215275 [0,2,0,0,0,0|2,0,0]=4 7370 B11R1.25 CCC(O)CSc1ccon1 62a_100009818083_100011218378 [0,2,0,0,0,0|2,0,0]=4 7371 B11R1.25 CCC(O)CSc1ccon1 62a_100011218378_100009818083 [0,2,0,0,0,0|2,0,0]=4 7372 B11R1.25 CCC(O)CSc1ccsc1 62a_100000738268_100011218378 [0,2,0,0,0,0|2,0,0]=4 7373 B11R1.25 CCC(O)CSc1ccsc1 62a_100011218378_100000738268 [0,2,0,0,0,0|2,0,0]=4 7374 B11R1.25 CCC(O)CSc1ccsn1 62a_100009818082_100011218378 [0,2,0,0,0,0|2,0,0]=4 7375 B11R1.25 CCC(O)CSc1ccsn1 62a_100011218378_100009818082 [0,2,0,0,0,0|2,0,0]=4 7376 B11R1.25 CCC(O)CSc1cnco1 62a_100011218378_100020591547 [0,2,0,0,0,0|1,0,0]=3 7377 B11R1.25 CCC(O)CSc1cnco1 62a_100020591547_100011218378 [0,2,0,0,0,0|1,0,0]=3 7378 B11R1.25 CCC(O)CSc1cncs1 62a_100011218378_100011934649 [0,2,0,0,0,0|1,1,0]=4 7379 B11R1.25 CCC(O)CSc1cncs1 62a_100011934649_100011218378 [0,2,0,0,0,0|1,1,0]=4 7380 B11R1.25 CCC(O)CSc1cscn1 62a_100000751502_100011218378 [0,2,0,0,0,0|2,0,0]=4 7381 B11R1.25 CCC(O)CSc1cscn1 62a_100011218378_100000751502 [0,2,0,0,0,0|2,0,0]=4 7382 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100011218378_100025796157 [0,2,0,0,0,0|2,0,0]=4 7383 B11R1.25 CCC(O)CSc1ncc[nH]1 62a_100025796157_100011218378 [0,2,0,0,0,0|2,0,0]=4 7384 B11R1.25 CCC(O)CSc1ncco1 62a_100011218378_100011787736 [0,2,0,0,0,0|1,0,0]=3 7385 B11R1.25 CCC(O)CSc1ncco1 62a_100011787736_100011218378 [0,2,0,0,0,0|1,0,0]=3 7386 B11R1.25 CCC(O)CSc1nccs1 62a_100000211983_100011218378 [0,2,0,0,0,0|1,1,0]=4 7387 B11R1.25 CCC(O)CSc1nccs1 62a_100011218378_100000211983 [0,2,0,0,0,0|1,1,0]=4 7388 B11R1.25 CCN(C)CCc1c[nH]cn1 2230a_100000225621_100020628418 [0,2,0,0,0,0|2,0,0]=4 7389 B11R1.25 CCN(C)CCc1c[nH]cn1 269982a_100000225621_100020628418 [0,2,0,0,0,0|2,0,0]=4 7390 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,2,0,0,0,0|0,1,0]=3 7391 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,2,0,0,0,0|0,1,0]=3 7392 B11R1.25 CCN(C)CCn1cccc1 2230a_100000225621_200009811947 [0,2,0,0,0,0|2,0,0]=4 7393 B11R1.25 CCN(C)CCn1cccc1 269982a_100000225621_200000035178 [0,2,0,0,0,0|2,0,0]=4 7394 B11R1.25 CCN(C)CCn1cccn1 2230a_100000225621_100000685285 [0,2,0,0,0,0|2,0,0]=4 7395 B11R1.25 CCN(C)CCn1cccn1 269982a_100000225621_100000685285 [0,2,0,0,0,0|2,0,0]=4 7396 B11R1.25 CC[C@H](C)COc1ccsc1 34a_100000106738_100009816398 [0,2,0,0,0,0|2,0,0]=4 7397 B11R1.25 CC[C@H](C)COc1ccsc1 7a_100000106738_100009816398 [0,2,0,0,0,0|2,0,0]=4 7398 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100000756875_100009816398 [0,2,0,0,0,0|2,0,0]=4 7399 B11R1.25 CC[C@H](C)CSc1c[nH]cn1 62a_100009816398_100000756875 [0,2,0,0,0,0|2,0,0]=4 7400 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100000062575_100009816398 [0,2,0,0,0,0|2,0,0]=4 7401 B11R1.25 CC[C@H](C)CSc1cc[nH]n1 62a_100009816398_100000062575 [0,2,0,0,0,0|2,0,0]=4 7402 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,2,0,0,0,0|0,0,0]=2 7403 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,2,0,0,0,0|0,0,0]=2 7404 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [0,2,0,0,0,0|0,1,0]=3 7405 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [0,2,0,0,0,0|0,1,0]=3 7406 B11R1.25 CC[C@H](C)CSc1ccoc1 62a_100009816398_100011215275 [0,2,0,0,0,0|2,0,0]=4 7407 B11R1.25 CC[C@H](C)CSc1ccoc1 62a_100011215275_100009816398 [0,2,0,0,0,0|2,0,0]=4 7408 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009816398_100009818083 [0,2,0,0,0,0|2,0,0]=4 7409 B11R1.25 CC[C@H](C)CSc1ccon1 62a_100009818083_100009816398 [0,2,0,0,0,0|2,0,0]=4 7410 B11R1.25 CC[C@H](C)CSc1ccsc1 62a_100000738268_100009816398 [0,2,0,0,0,0|2,0,0]=4 7411 B11R1.25 CC[C@H](C)CSc1ccsc1 62a_100009816398_100000738268 [0,2,0,0,0,0|2,0,0]=4 7412 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009816398_100009818082 [0,2,0,0,0,0|2,0,0]=4 7413 B11R1.25 CC[C@H](C)CSc1ccsn1 62a_100009818082_100009816398 [0,2,0,0,0,0|2,0,0]=4 7414 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100009816398_100020591547 [0,2,0,0,0,0|1,0,0]=3 7415 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100020591547_100009816398 [0,2,0,0,0,0|1,0,0]=3 7416 B11R1.25 CC[C@H](C)CSc1cncs1 62a_100009816398_100011934649 [0,2,0,0,0,0|1,1,0]=4 7417 B11R1.25 CC[C@H](C)CSc1cncs1 62a_100011934649_100009816398 [0,2,0,0,0,0|1,1,0]=4 7418 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100000751502_100009816398 [0,2,0,0,0,0|2,0,0]=4 7419 B11R1.25 CC[C@H](C)CSc1cscn1 62a_100009816398_100000751502 [0,2,0,0,0,0|2,0,0]=4 7420 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100009816398_100025796157 [0,2,0,0,0,0|2,0,0]=4 7421 B11R1.25 CC[C@H](C)CSc1ncc[nH]1 62a_100025796157_100009816398 [0,2,0,0,0,0|2,0,0]=4 7422 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [0,2,0,0,0,0|1,0,0]=3 7423 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [0,2,0,0,0,0|1,0,0]=3 7424 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100000211983_100009816398 [0,2,0,0,0,0|1,1,0]=4 7425 B11R1.25 CC[C@H](C)CSc1nccs1 62a_100009816398_100000211983 [0,2,0,0,0,0|1,1,0]=4 7426 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,2,0,0,0,0|1,0,1]=4 7427 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,2,0,0,0,0|1,0,1]=4 7428 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,2,0,0,0,0|1,0,1]=4 7429 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,2,0,0,0,0|0,0,1]=3 7430 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,2,0,0,0,0|0,0,1]=3 7431 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,2,0,0,0,0|0,0,1]=3 7432 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,2,0,0,0,0|0,1,1]=4 7433 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,2,0,0,0,0|0,1,1]=4 7434 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,2,0,0,0,0|0,1,1]=4 7435 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,2,0,0,0,0|0,1,1]=4 7436 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,2,0,0,0,0|1,0,1]=4 7437 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,2,0,0,0,0|1,0,1]=4 7438 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,2,0,0,0,0|1,0,1]=4 7439 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,2,0,0,0,0|1,0,1]=4 7440 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,2,0,0,0,0|1,0,1]=4 7441 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,2,0,0,0,0|1,0,1]=4 7442 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,2,0,0,0,0|1,0,1]=4 7443 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,2,0,0,0,0|0,0,0]=2 7444 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,2,0,0,0,0|0,0,0]=2 7445 B11R1.25 CNC(C)CCn1cccn1 270004a_106832991635_100000697638 [0,2,0,0,0,0|2,0,0]=4 7446 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,2,0,0,0,0|1,0,1]=4 7447 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,2,0,0,0,0|1,0,1]=4 7448 B11R1.25 COC(C)SCc1ncco1 62a_100009879195_103436540062 [0,2,0,0,0,0|2,0,0]=4 7449 B11R1.25 COC(C)SCc1ncco1 62a_103436540062_100009879195 [0,2,0,0,0,0|2,0,0]=4 7450 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,2,0,0,0,0|1,0,0]=3 7451 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,2,0,0,0,0|1,0,0]=3 7452 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100000059175_100011215356 [0,2,0,0,0,0|1,1,0]=4 7453 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100011215356_100000059175 [0,2,0,0,0,0|1,1,0]=4 7454 B11R1.25 C[C@@H](CO)CSc1cnco1 62a_100000059175_100020591547 [0,2,0,0,0,0|2,0,0]=4 7455 B11R1.25 C[C@@H](CO)CSc1cnco1 62a_100020591547_100000059175 [0,2,0,0,0,0|2,0,0]=4 7456 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100000059175_100011787736 [0,2,0,0,0,0|2,0,0]=4 7457 B11R1.25 C[C@@H](CO)CSc1ncco1 62a_100011787736_100000059175 [0,2,0,0,0,0|2,0,0]=4 7458 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,2,0,0,0,0|1,0,0]=3 7459 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,2,0,0,0,0|1,0,0]=3 7460 B11R1.25 C[C@H](CF)NCc1cccs1 207a_100102880703_100000209959 [0,2,0,0,0,0|1,1,0]=4 7461 B11R1.25 C[C@H](CF)NCc1cccs1 270004a_100102880703_100000209959 [0,2,0,0,0,0|1,1,0]=4 7462 B11R1.25 C[C@H](CF)NCc1cnco1 270004a_100102880703_100000064291 [0,2,0,0,0,0|2,0,0]=4 7463 B11R1.25 C[C@H](CF)NCc1ncco1 270004a_100102880703_100000064290 [0,2,0,0,0,0|2,0,0]=4 7464 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,2,0,0,0,0|1,0,0]=3 7465 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,2,0,0,0,0|1,0,0]=3 7466 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,2,0,0,0,0|1,1,0]=4 7467 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,2,0,0,0,0|1,1,0]=4 7468 B11R1.25 C[C@H](CO)NCc1cnco1 270004a_100000737577_100000064291 [0,2,0,0,0,0|2,0,0]=4 7469 B11R1.25 C[C@H](CO)NCc1ncco1 2230a_100000737577_103436540062 [0,2,0,0,0,0|2,0,0]=4 7470 B11R1.25 C[C@H](CO)NCc1ncco1 270004a_100000737577_100000064290 [0,2,0,0,0,0|2,0,0]=4 7471 B11R1.25 C[C@H](CO)SCc1ncco1 62a_100016084084_103436540062 [0,2,0,0,0,0|2,0,0]=4 7472 B11R1.25 C[C@H](CO)SCc1ncco1 62a_103436540062_100016084084 [0,2,0,0,0,0|2,0,0]=4 7473 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,2,0,0,0,0|1,0,1]=4 7474 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,2,0,0,0,0|0,0,1]=3 7475 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,2,0,0,0,0|0,1,1]=4 7476 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,2,0,0,0,0|0,1,1]=4 7477 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,2,0,0,0,0|1,0,1]=4 7478 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,2,0,0,0,0|1,0,1]=4 7479 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,2,0,0,0,0|1,0,0]=3 7480 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,2,0,0,0,0|1,0,0]=3 7481 B11R1.25 OCC(O)CSc1cccs1 62a_100011215356_100011219619 [0,2,0,0,0,0|1,1,0]=4 7482 B11R1.25 OCC(O)CSc1cccs1 62a_100011219619_100011215356 [0,2,0,0,0,0|1,1,0]=4 7483 B11R1.25 OCC(O)CSc1cnco1 62a_100011219619_100020591547 [0,2,0,0,0,0|2,0,0]=4 7484 B11R1.25 OCC(O)CSc1cnco1 62a_100020591547_100011219619 [0,2,0,0,0,0|2,0,0]=4 7485 B11R1.25 OCC(O)CSc1ncco1 62a_100011219619_100011787736 [0,2,0,0,0,0|2,0,0]=4 7486 B11R1.25 OCC(O)CSc1ncco1 62a_100011787736_100011219619 [0,2,0,0,0,0|2,0,0]=4 7487 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,2,0,0,0,0|1,0,0]=3 7488 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,2,0,0,0,0|1,0,0]=3 7489 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100009815848_100011215356 [0,2,0,0,0,0|1,1,0]=4 7490 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100011215356_100009815848 [0,2,0,0,0,0|1,1,0]=4 7491 B11R1.25 OC[C@H](O)CSc1cnco1 62a_100009815848_100020591547 [0,2,0,0,0,0|2,0,0]=4 7492 B11R1.25 OC[C@H](O)CSc1cnco1 62a_100020591547_100009815848 [0,2,0,0,0,0|2,0,0]=4 7493 B11R1.25 OC[C@H](O)CSc1ncco1 62a_100009815848_100011787736 [0,2,0,0,0,0|2,0,0]=4 7494 B11R1.25 OC[C@H](O)CSc1ncco1 62a_100011787736_100009815848 [0,2,0,0,0,0|2,0,0]=4 7495 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,2,0,0,0,0|1,0,0]=3 7496 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,2,0,0,0,0|1,0,0]=3 7497 B11R1.25 O[C@@H](CF)CSc1cccs1 62a_100011215356_100015614560 [0,2,0,0,0,0|1,1,0]=4 7498 B11R1.25 O[C@@H](CF)CSc1cccs1 62a_100015614560_100011215356 [0,2,0,0,0,0|1,1,0]=4 7499 B11R1.25 O[C@@H](CF)CSc1cnco1 62a_100015614560_100020591547 [0,2,0,0,0,0|2,0,0]=4 7500 B11R1.25 O[C@@H](CF)CSc1cnco1 62a_100020591547_100015614560 [0,2,0,0,0,0|2,0,0]=4 7501 B11R1.25 O[C@@H](CF)CSc1ncco1 62a_100011787736_100015614560 [0,2,0,0,0,0|2,0,0]=4 7502 B11R1.25 O[C@@H](CF)CSc1ncco1 62a_100015614560_100011787736 [0,2,0,0,0,0|2,0,0]=4 7503 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,2,0,0,0,0|0,0,2]=4 7504 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000185268_100000038162 [0,2,0,0,0,0|0,0,2]=4 7505 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000746299_200000210301 [0,2,0,0,0,0|0,0,2]=4 7506 B11R1.30 C#CCN(C)Cc1ccco1 270004a_100000225692_100000186105 [0,2,0,0,0,0|0,0,2]=4 7507 B11R1.30 C#CCN(C)Cc1ccco1 34a_100000746299_200000210301 [0,2,0,0,0,0|0,0,2]=4 7508 B11R1.30 C#CCN([13CH3])Cc1ccco1 2230a_100000746299_200025704644 [0,2,0,0,0,0|0,0,2]=4 7509 B11R1.30 C#CCN([13CH3])Cc1ccco1 34a_100000746299_200025704644 [0,2,0,0,0,0|0,0,2]=4 7510 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,2,0,0,0,0|0,0,2]=4 7511 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [0,2,0,0,0,0|0,0,2]=4 7512 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [0,2,0,0,0,0|0,0,2]=4 7513 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [0,2,0,0,0,0|0,0,2]=4 7514 B11R1.30 CC(CC#N)Sc1ccco1 62a_100009813641_100009814098 [0,2,0,0,0,0|1,0,1]=4 7515 B11R1.30 CC(CC#N)Sc1ccco1 62a_100009814098_100009813641 [0,2,0,0,0,0|1,0,1]=4 7516 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [0,2,0,0,0,0|1,0,0]=3 7517 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [0,2,0,0,0,0|1,0,0]=3 7518 B11R1.30 CC(CCO)Sc1cccs1 62a_100009893172_100011215356 [0,2,0,0,0,0|1,1,0]=4 7519 B11R1.30 CC(CCO)Sc1cccs1 62a_100011215356_100009893172 [0,2,0,0,0,0|1,1,0]=4 7520 B11R1.30 CC(CCO)Sc1cnco1 62a_100009893172_100020591547 [0,2,0,0,0,0|2,0,0]=4 7521 B11R1.30 CC(CCO)Sc1cnco1 62a_100020591547_100009893172 [0,2,0,0,0,0|2,0,0]=4 7522 B11R1.30 CC(CCO)Sc1ncco1 62a_100009893172_100011787736 [0,2,0,0,0,0|2,0,0]=4 7523 B11R1.30 CC(CCO)Sc1ncco1 62a_100011787736_100009893172 [0,2,0,0,0,0|2,0,0]=4 7524 B11R1.30 CC(CO[13CH3])Cn1cccn1 34a_100011934653_200025704644 [0,2,0,0,0,0|2,0,0]=4 7525 B11R1.30 CC(Cc1ccco1)OCF 34a_100011803939_100015361967 [0,2,0,0,0,0|1,0,0]=3 7526 B11R1.30 CC(Cc1ccco1)OCF 7a_100011803939_100015361967 [0,2,0,0,0,0|1,0,0]=3 7527 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,2,0,0,0,0|2,0,0]=4 7528 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,2,0,0,0,0|2,0,0]=4 7529 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,2,0,0,0,0|1,0,0]=3 7530 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,2,0,0,0,0|0,0,0]=2 7531 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,2,0,0,0,0|0,1,0]=3 7532 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000211992_100000728653 [0,2,0,0,0,0|2,0,0]=4 7533 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210303 [0,2,0,0,0,0|2,0,0]=4 7534 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,2,0,0,0,0|2,0,0]=4 7535 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,2,0,0,0,0|2,0,0]=4 7536 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,2,0,0,0,0|2,0,0]=4 7537 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,2,0,0,0,0|2,0,0]=4 7538 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,2,0,0,0,0|1,1,0]=4 7539 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,2,0,0,0,0|2,0,0]=4 7540 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,2,0,0,0,0|2,0,0]=4 7541 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,2,0,0,0,0|1,0,0]=3 7542 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,2,0,0,0,0|1,1,0]=4 7543 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,2,0,0,0,0|2,0,0]=4 7544 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,2,0,0,0,0|2,0,0]=4 7545 B11R1.30 CCCC(C)Oc1ccsc1 34a_100000106738_100000766640 [0,2,0,0,0,0|2,0,0]=4 7546 B11R1.30 CCCC(C)Oc1ccsc1 7a_100000106738_100000766640 [0,2,0,0,0,0|2,0,0]=4 7547 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000756875_100000766640 [0,2,0,0,0,0|2,0,0]=4 7548 B11R1.30 CCCC(C)Sc1c[nH]cn1 62a_100000766640_100000756875 [0,2,0,0,0,0|2,0,0]=4 7549 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000062575_100000766640 [0,2,0,0,0,0|2,0,0]=4 7550 B11R1.30 CCCC(C)Sc1cc[nH]n1 62a_100000766640_100000062575 [0,2,0,0,0,0|2,0,0]=4 7551 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [0,2,0,0,0,0|0,0,0]=2 7552 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [0,2,0,0,0,0|0,0,0]=2 7553 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [0,2,0,0,0,0|0,1,0]=3 7554 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [0,2,0,0,0,0|0,1,0]=3 7555 B11R1.30 CCCC(C)Sc1ccoc1 62a_100000766640_100011215275 [0,2,0,0,0,0|2,0,0]=4 7556 B11R1.30 CCCC(C)Sc1ccoc1 62a_100011215275_100000766640 [0,2,0,0,0,0|2,0,0]=4 7557 B11R1.30 CCCC(C)Sc1ccon1 62a_100000766640_100009818083 [0,2,0,0,0,0|2,0,0]=4 7558 B11R1.30 CCCC(C)Sc1ccon1 62a_100009818083_100000766640 [0,2,0,0,0,0|2,0,0]=4 7559 B11R1.30 CCCC(C)Sc1ccsc1 62a_100000738268_100000766640 [0,2,0,0,0,0|2,0,0]=4 7560 B11R1.30 CCCC(C)Sc1ccsc1 62a_100000766640_100000738268 [0,2,0,0,0,0|2,0,0]=4 7561 B11R1.30 CCCC(C)Sc1ccsn1 62a_100000766640_100009818082 [0,2,0,0,0,0|2,0,0]=4 7562 B11R1.30 CCCC(C)Sc1ccsn1 62a_100009818082_100000766640 [0,2,0,0,0,0|2,0,0]=4 7563 B11R1.30 CCCC(C)Sc1cnco1 62a_100000766640_100020591547 [0,2,0,0,0,0|1,0,0]=3 7564 B11R1.30 CCCC(C)Sc1cnco1 62a_100020591547_100000766640 [0,2,0,0,0,0|1,0,0]=3 7565 B11R1.30 CCCC(C)Sc1cncs1 62a_100000766640_100011934649 [0,2,0,0,0,0|1,1,0]=4 7566 B11R1.30 CCCC(C)Sc1cncs1 62a_100011934649_100000766640 [0,2,0,0,0,0|1,1,0]=4 7567 B11R1.30 CCCC(C)Sc1cscn1 62a_100000751502_100000766640 [0,2,0,0,0,0|2,0,0]=4 7568 B11R1.30 CCCC(C)Sc1cscn1 62a_100000766640_100000751502 [0,2,0,0,0,0|2,0,0]=4 7569 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100000766640_100025796157 [0,2,0,0,0,0|2,0,0]=4 7570 B11R1.30 CCCC(C)Sc1ncc[nH]1 62a_100025796157_100000766640 [0,2,0,0,0,0|2,0,0]=4 7571 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [0,2,0,0,0,0|1,0,0]=3 7572 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [0,2,0,0,0,0|1,0,0]=3 7573 B11R1.30 CCCC(C)Sc1nccs1 62a_100000211983_100000766640 [0,2,0,0,0,0|1,1,0]=4 7574 B11R1.30 CCCC(C)Sc1nccs1 62a_100000766640_100000211983 [0,2,0,0,0,0|1,1,0]=4 7575 B11R1.30 CCCN(C)Cc1c[nH]cn1 2230a_100000747261_100000707719 [0,2,0,0,0,0|2,0,0]=4 7576 B11R1.30 CCCN(C)Cc1c[nH]cn1 269982a_100000747261_100000707719 [0,2,0,0,0,0|2,0,0]=4 7577 B11R1.30 CCCN(C)Cc1cc[nH]n1 270004a_100000747261_100000738523 [0,2,0,0,0,0|2,0,0]=4 7578 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,2,0,0,0,0|0,0,0]=2 7579 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,2,0,0,0,0|0,0,0]=2 7580 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,2,0,0,0,0|0,0,0]=2 7581 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,2,0,0,0,0|0,0,0]=2 7582 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,2,0,0,0,0|0,0,0]=2 7583 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,2,0,0,0,0|0,1,0]=3 7584 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,2,0,0,0,0|0,1,0]=3 7585 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,2,0,0,0,0|0,1,0]=3 7586 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,2,0,0,0,0|0,1,0]=3 7587 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,2,0,0,0,0|0,1,0]=3 7588 B11R1.30 CCCN(C)Cc1ccn[nH]1 2230a_100000747261_100000728653 [0,2,0,0,0,0|2,0,0]=4 7589 B11R1.30 CCCN(C)Cc1ccn[nH]1 269982a_100000747261_100000728653 [0,2,0,0,0,0|2,0,0]=4 7590 B11R1.30 CCCN(C)Cc1ccoc1 270004a_100000747261_100011215517 [0,2,0,0,0,0|2,0,0]=4 7591 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000747261_100000234950 [0,2,0,0,0,0|2,0,0]=4 7592 B11R1.30 CCCN(C)Cc1ccon1 2230a_100000757864_100000210303 [0,2,0,0,0,0|2,0,0]=4 7593 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000747261_100000234950 [0,2,0,0,0,0|2,0,0]=4 7594 B11R1.30 CCCN(C)Cc1ccon1 269982a_100000757864_100000210303 [0,2,0,0,0,0|2,0,0]=4 7595 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100000747261_100011261437 [0,2,0,0,0,0|2,0,0]=4 7596 B11R1.30 CCCN(C)Cc1ccsc1 2230a_100020654213_100000210303 [0,2,0,0,0,0|2,0,0]=4 7597 B11R1.30 CCCN(C)Cc1ccsc1 2230a_200015183331_200000210301 [0,2,0,0,0,0|2,0,0]=4 7598 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100000747261_100011233845 [0,2,0,0,0,0|2,0,0]=4 7599 B11R1.30 CCCN(C)Cc1ccsc1 269982a_100020654213_100000210303 [0,2,0,0,0,0|2,0,0]=4 7600 B11R1.30 CCCN(C)Cc1ccsc1 269982a_200015183331_200000210301 [0,2,0,0,0,0|2,0,0]=4 7601 B11R1.30 CCCN(C)Cc1ccsc1 270004a_100000747261_100000188534 [0,2,0,0,0,0|2,0,0]=4 7602 B11R1.30 CCCN(C)Cc1cnco1 270004a_100000747261_100000064291 [0,2,0,0,0,0|1,0,0]=3 7603 B11R1.30 CCCN(C)Cc1cncs1 2230a_100000747261_100015185245 [0,2,0,0,0,0|1,1,0]=4 7604 B11R1.30 CCCN(C)Cc1cncs1 269982a_100000747261_100015185245 [0,2,0,0,0,0|1,1,0]=4 7605 B11R1.30 CCCN(C)Cc1cncs1 270004a_100000747261_100000749870 [0,2,0,0,0,0|1,1,0]=4 7606 B11R1.30 CCCN(C)Cc1cocn1 270004a_100000747261_100000050382 [0,2,0,0,0,0|2,0,0]=4 7607 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000225794_100000210303 [0,2,0,0,0,0|2,0,0]=4 7608 B11R1.30 CCCN(C)Cc1cscn1 2230a_100000747261_100000205941 [0,2,0,0,0,0|2,0,0]=4 7609 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000225794_100000210303 [0,2,0,0,0,0|2,0,0]=4 7610 B11R1.30 CCCN(C)Cc1cscn1 269982a_100000747261_100000205941 [0,2,0,0,0,0|2,0,0]=4 7611 B11R1.30 CCCN(C)Cc1cscn1 270004a_100000747261_100000743575 [0,2,0,0,0,0|2,0,0]=4 7612 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100000747261_100016991755 [0,2,0,0,0,0|2,0,0]=4 7613 B11R1.30 CCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210303 [0,2,0,0,0,0|2,0,0]=4 7614 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100000747261_100016991755 [0,2,0,0,0,0|2,0,0]=4 7615 B11R1.30 CCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210303 [0,2,0,0,0,0|2,0,0]=4 7616 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,2,0,0,0,0|1,0,0]=3 7617 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,2,0,0,0,0|1,0,0]=3 7618 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,2,0,0,0,0|1,0,0]=3 7619 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000747261_100015184050 [0,2,0,0,0,0|1,1,0]=4 7620 B11R1.30 CCCN(C)Cc1nccs1 2230a_100000765864_100000210303 [0,2,0,0,0,0|1,1,0]=4 7621 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000747261_100015184050 [0,2,0,0,0,0|1,1,0]=4 7622 B11R1.30 CCCN(C)Cc1nccs1 269982a_100000765864_100000210303 [0,2,0,0,0,0|1,1,0]=4 7623 B11R1.30 CCCN(C)Cc1nccs1 270004a_100000747261_100000750902 [0,2,0,0,0,0|1,1,0]=4 7624 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,2,0,0,0,0|0,0,0]=2 7625 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,2,0,0,0,0|0,0,0]=2 7626 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,2,0,0,0,0|0,1,0]=3 7627 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,2,0,0,0,0|0,1,0]=3 7628 B11R1.30 CCCN([13CH3])Cc1ccsc1 2230a_200015183331_200025704644 [0,2,0,0,0,0|2,0,0]=4 7629 B11R1.30 CCCN([13CH3])Cc1ccsc1 269982a_200015183331_200025704644 [0,2,0,0,0,0|2,0,0]=4 7630 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,2,0,0,0,0|1,0,1]=4 7631 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,2,0,0,0,0|1,0,1]=4 7632 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,2,0,0,0,0|1,0,1]=4 7633 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,2,0,0,0,0|0,0,1]=3 7634 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,2,0,0,0,0|0,0,1]=3 7635 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,2,0,0,0,0|0,1,1]=4 7636 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,2,0,0,0,0|0,1,1]=4 7637 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,2,0,0,0,0|0,0,0]=2 7638 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,2,0,0,0,0|0,1,0]=3 7639 B11R1.30 CCNC(C)Cc1ccsc1 2230a_100000743546_100000210202 [0,2,0,0,0,0|2,0,0]=4 7640 B11R1.30 CCNC(C)Cc1ccsc1 34a_100000743546_100000210202 [0,2,0,0,0,0|2,0,0]=4 7641 B11R1.30 CCNC(C)Cn1cccn1 2230a_100000738251_100000210202 [0,2,0,0,0,0|2,0,0]=4 7642 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,2,0,0,0,0|0,0,0]=2 7643 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,2,0,0,0,0|0,0,0]=2 7644 B11R1.30 CN(CC#N)Cc1ccco1 2230a_100000185268_100011215382 [0,2,0,0,0,0|1,0,1]=4 7645 B11R1.30 CN(CC#N)Cc1ccco1 269982a_100000185268_100011214920 [0,2,0,0,0,0|1,0,1]=4 7646 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,2,0,0,0,0|1,0,1]=4 7647 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,2,0,0,0,0|1,0,1]=4 7648 B11R1.30 CN(CCF)Cc1ccco1 2230a_100000185268_100011217306 [0,2,0,0,0,0|1,0,0]=3 7649 B11R1.30 CN(CCF)Cc1ccco1 269982a_100000185268_100011217306 [0,2,0,0,0,0|1,0,0]=3 7650 B11R1.30 CN(CCF)Cc1cccs1 2230a_100000184426_100011217306 [0,2,0,0,0,0|1,1,0]=4 7651 B11R1.30 CN(CCF)Cc1cccs1 269982a_100000184426_100011217306 [0,2,0,0,0,0|1,1,0]=4 7652 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000185268_100000211926 [0,2,0,0,0,0|1,0,0]=3 7653 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000200452_200000210301 [0,2,0,0,0,0|1,0,0]=3 7654 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000185268_100000211926 [0,2,0,0,0,0|1,0,0]=3 7655 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000200452_200000210301 [0,2,0,0,0,0|1,0,0]=3 7656 B11R1.30 CN(CCO)Cc1ccco1 270004a_100000210263_100000186105 [0,2,0,0,0,0|1,0,0]=3 7657 B11R1.30 CN(CCO)Cc1cccs1 2230a_100000184426_100000211926 [0,2,0,0,0,0|1,1,0]=4 7658 B11R1.30 CN(CCO)Cc1cccs1 2230a_200000200436_200000210301 [0,2,0,0,0,0|1,1,0]=4 7659 B11R1.30 CN(CCO)Cc1cccs1 269982a_100000184426_100000211926 [0,2,0,0,0,0|1,1,0]=4 7660 B11R1.30 CN(CCO)Cc1cccs1 269982a_200000200436_200000210301 [0,2,0,0,0,0|1,1,0]=4 7661 B11R1.30 CN(CCO)Cc1cccs1 270004a_100000210263_100000209959 [0,2,0,0,0,0|1,1,0]=4 7662 B11R1.30 CN(CCO)Cc1cnco1 270004a_100000210263_100000064291 [0,2,0,0,0,0|2,0,0]=4 7663 B11R1.30 CN(CCO)Cc1ncco1 2230a_100000210263_103436540062 [0,2,0,0,0,0|2,0,0]=4 7664 B11R1.30 CN(CCO)Cc1ncco1 269982a_100000210263_103436540062 [0,2,0,0,0,0|2,0,0]=4 7665 B11R1.30 CN(CCO)Cc1ncco1 270004a_100000210263_100000064290 [0,2,0,0,0,0|2,0,0]=4 7666 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,2,0,0,0,0|1,0,1]=4 7667 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,2,0,0,0,0|1,0,1]=4 7668 B11R1.30 COCC(C)Cn1cccn1 34a_100011934653_200000210301 [0,2,0,0,0,0|2,0,0]=4 7669 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [0,2,0,0,0,0|1,0,0]=3 7670 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [0,2,0,0,0,0|1,0,0]=3 7671 B11R1.30 COCC(C)Sc1cccs1 62a_100000765312_100011215356 [0,2,0,0,0,0|1,1,0]=4 7672 B11R1.30 COCC(C)Sc1cccs1 62a_100011215356_100000765312 [0,2,0,0,0,0|1,1,0]=4 7673 B11R1.30 COCC(C)Sc1cnco1 62a_100000765312_100020591547 [0,2,0,0,0,0|2,0,0]=4 7674 B11R1.30 COCC(C)Sc1cnco1 62a_100020591547_100000765312 [0,2,0,0,0,0|2,0,0]=4 7675 B11R1.30 COCC(C)Sc1ncco1 62a_100000765312_100011787736 [0,2,0,0,0,0|2,0,0]=4 7676 B11R1.30 COCC(C)Sc1ncco1 62a_100011787736_100000765312 [0,2,0,0,0,0|2,0,0]=4 7677 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [0,2,0,0,0,0|1,0,0]=3 7678 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [0,2,0,0,0,0|1,0,0]=3 7679 B11R1.30 COCN(C)Cc1cccs1 2230a_100000184426_100000766300 [0,2,0,0,0,0|1,1,0]=4 7680 B11R1.30 COCN(C)Cc1cccs1 269982a_100000184426_100000766300 [0,2,0,0,0,0|1,1,0]=4 7681 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,2,0,0,0,0|1,0,1]=4 7682 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,2,0,0,0,0|1,0,0]=3 7683 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,2,0,0,0,0|1,0,0]=3 7684 B11R1.30 CSCN(C)Cc1cccs1 2230a_100000184426_100011218213 [0,2,0,0,0,0|1,1,0]=4 7685 B11R1.30 CSCN(C)Cc1cccs1 269982a_100000184426_100011218213 [0,2,0,0,0,0|1,1,0]=4 7686 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,2,0,0,0,0|0,0,2]=4 7687 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,2,0,0,0,0|1,0,1]=4 7688 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,2,0,0,0,0|0,0,1]=3 7689 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,2,0,0,0,0|0,1,1]=4 7690 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,2,0,0,0,0|1,0,1]=4 7691 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,2,0,0,0,0|0,0,1]=3 7692 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,2,0,0,0,0|0,1,1]=4 7693 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,2,0,0,0,0|1,0,1]=4 7694 B11R1.30 [13CH3]N(CCO)Cc1ccco1 2230a_100000200452_200025704644 [0,2,0,0,0,0|1,0,0]=3 7695 B11R1.30 [13CH3]N(CCO)Cc1ccco1 269982a_100000200452_200025704644 [0,2,0,0,0,0|1,0,0]=3 7696 B11R1.30 [13CH3]N(CCO)Cc1cccs1 2230a_200000200436_200025704644 [0,2,0,0,0,0|1,1,0]=4 7697 B11R1.30 [13CH3]N(CCO)Cc1cccs1 269982a_200000200436_200025704644 [0,2,0,0,0,0|1,1,0]=4 7698 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,2,0,0,0,0|0,0,1]=3 7699 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,2,0,0,0,0|0,0,1]=3 7700 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,2,0,0,0,0|0,1,1]=4 7701 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,2,0,0,0,0|0,1,1]=4 7702 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [0,2,0,0,0,0|1,0,1]=4 7703 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [0,2,0,0,0,0|1,0,1]=4 7704 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [0,2,0,0,0,0|1,0,1]=4 7705 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [0,2,0,0,0,0|1,0,1]=4 7706 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,2,0,0,0,0|0,0,1]=3 7707 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,2,0,0,0,0|0,0,1]=3 7708 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,2,0,0,0,0|0,1,1]=4 7709 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,2,0,0,0,0|1,0,1]=4 7710 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,2,0,0,0,0|0,0,1]=3 7711 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,2,0,0,0,0|0,1,1]=4 7712 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,2,0,0,0,0|1,0,1]=4 7713 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,2,0,0,0,0|1,0,1]=4 7714 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,2,0,0,0,0|1,0,1]=4 7715 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,2,0,0,0,0|1,0,1]=4 7716 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,2,0,0,0,0|1,0,1]=4 7717 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,2,0,0,0,0|0,0,2]=4 7718 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,2,0,0,0,0|0,0,2]=4 7719 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,2,0,0,0,0|0,0,2]=4 7720 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,2,0,0,0,0|0,0,2]=4 7721 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,2,0,0,0,0|0,0,2]=4 7722 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,2,0,0,0,0|0,1,0]=3 7723 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,2,0,0,0,0|0,1,0]=3 7724 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,2,0,0,0,0|2,0,0]=4 7725 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,2,0,0,0,0|2,0,0]=4 7726 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,2,0,0,0,0|2,0,0]=4 7727 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,2,0,0,0,0|2,0,0]=4 7728 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,2,0,0,0,0|0,0,1]=3 7729 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,2,0,0,0,0|0,0,1]=3 7730 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,2,0,0,0,0|0,1,1]=4 7731 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,2,0,0,0,0|0,1,1]=4 7732 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,2,0,0,0,0|1,0,1]=4 7733 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,2,0,0,0,0|1,0,1]=4 7734 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,2,0,0,0,0|1,0,1]=4 7735 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,2,0,0,0,0|1,0,1]=4 7736 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,2,0,0,0,0|1,0,1]=4 7737 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,2,0,0,0,0|0,0,1]=3 7738 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,2,0,0,0,0|0,0,1]=3 7739 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,2,0,0,0,0|0,0,1]=3 7740 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,2,0,0,0,0|0,0,1]=3 7741 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,2,0,0,0,0|0,1,1]=4 7742 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,2,0,0,0,0|0,1,1]=4 7743 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,2,0,0,0,0|0,1,1]=4 7744 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,2,0,0,0,0|0,1,1]=4 7745 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,2,0,0,0,0|1,0,1]=4 7746 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,2,0,0,0,0|1,0,1]=4 7747 B11R1.172 CC(Br)COCc1c[nH]cn1 34a_100012180447_100000707719 [0,2,0,0,0,0|2,0,0]=4 7748 B11R1.172 CC(Br)COCc1ccn[nH]1 34a_100012180447_100000728653 [0,2,0,0,0,0|2,0,0]=4 7749 B11R1.172 CC(Br)COCc1ccon1 34a_100012180447_100000234950 [0,2,0,0,0,0|2,0,0]=4 7750 B11R1.172 CC(Br)COCc1ccsc1 34a_100012180447_100011261437 [0,2,0,0,0,0|2,0,0]=4 7751 B11R1.172 CC(Br)COCc1cncs1 34a_100012180447_100015185245 [0,2,0,0,0,0|1,1,0]=4 7752 B11R1.172 CC(Br)COCc1cscn1 34a_100012180447_100000205941 [0,2,0,0,0,0|2,0,0]=4 7753 B11R1.172 CC(Br)COCc1ncc[nH]1 34a_100012180447_100016991755 [0,2,0,0,0,0|2,0,0]=4 7754 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,2,0,0,0,0|1,0,0]=3 7755 B11R1.172 CC(Br)COCc1nccs1 34a_100012180447_100015184050 [0,2,0,0,0,0|1,1,0]=4 7756 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,2,0,0,0,0|0,0,1]=3 7757 B11R1.172 CC(C)CC=Cc1cccs1 271570a_100016259101_100011215356 [0,2,0,0,0,0|0,1,1]=4 7758 B11R1.172 CC(C)CC=Cc1cnco1 271570a_100016259101_100020591547 [0,2,0,0,0,0|1,0,1]=4 7759 B11R1.172 CC(C)CC=Cc1ncco1 271570a_100016259101_100011787736 [0,2,0,0,0,0|1,0,1]=4 7760 B11R1.172 CC(C)CCOc1ccsc1 34a_100000106738_100000210312 [0,2,0,0,0,0|2,0,0]=4 7761 B11R1.172 CC(C)CCOc1ccsc1 7a_100000106738_100000210626 [0,2,0,0,0,0|2,0,0]=4 7762 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000210312_100000756875 [0,2,0,0,0,0|2,0,0]=4 7763 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000756875_100000210312 [0,2,0,0,0,0|2,0,0]=4 7764 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000062575_100000210312 [0,2,0,0,0,0|2,0,0]=4 7765 B11R1.172 CC(C)CCSc1cc[nH]n1 62a_100000210312_100000062575 [0,2,0,0,0,0|2,0,0]=4 7766 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,2,0,0,0,0|0,0,0]=2 7767 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,2,0,0,0,0|0,0,0]=2 7768 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,2,0,0,0,0|0,1,0]=3 7769 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,2,0,0,0,0|0,1,0]=3 7770 B11R1.172 CC(C)CCSc1ccoc1 62a_100000210312_100011215275 [0,2,0,0,0,0|2,0,0]=4 7771 B11R1.172 CC(C)CCSc1ccoc1 62a_100011215275_100000210312 [0,2,0,0,0,0|2,0,0]=4 7772 B11R1.172 CC(C)CCSc1ccon1 62a_100000210312_100009818083 [0,2,0,0,0,0|2,0,0]=4 7773 B11R1.172 CC(C)CCSc1ccon1 62a_100009818083_100000210312 [0,2,0,0,0,0|2,0,0]=4 7774 B11R1.172 CC(C)CCSc1ccsc1 62a_100000210312_100000738268 [0,2,0,0,0,0|2,0,0]=4 7775 B11R1.172 CC(C)CCSc1ccsc1 62a_100000738268_100000210312 [0,2,0,0,0,0|2,0,0]=4 7776 B11R1.172 CC(C)CCSc1ccsn1 62a_100000210312_100009818082 [0,2,0,0,0,0|2,0,0]=4 7777 B11R1.172 CC(C)CCSc1ccsn1 62a_100009818082_100000210312 [0,2,0,0,0,0|2,0,0]=4 7778 B11R1.172 CC(C)CCSc1cnco1 62a_100000210312_100020591547 [0,2,0,0,0,0|1,0,0]=3 7779 B11R1.172 CC(C)CCSc1cnco1 62a_100020591547_100000210312 [0,2,0,0,0,0|1,0,0]=3 7780 B11R1.172 CC(C)CCSc1cncs1 62a_100000210312_100011934649 [0,2,0,0,0,0|1,1,0]=4 7781 B11R1.172 CC(C)CCSc1cncs1 62a_100011934649_100000210312 [0,2,0,0,0,0|1,1,0]=4 7782 B11R1.172 CC(C)CCSc1cscn1 62a_100000210312_100000751502 [0,2,0,0,0,0|2,0,0]=4 7783 B11R1.172 CC(C)CCSc1cscn1 62a_100000751502_100000210312 [0,2,0,0,0,0|2,0,0]=4 7784 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100000210312_100025796157 [0,2,0,0,0,0|2,0,0]=4 7785 B11R1.172 CC(C)CCSc1ncc[nH]1 62a_100025796157_100000210312 [0,2,0,0,0,0|2,0,0]=4 7786 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [0,2,0,0,0,0|1,0,0]=3 7787 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [0,2,0,0,0,0|1,0,0]=3 7788 B11R1.172 CC(C)CCSc1nccs1 62a_100000210312_100000211983 [0,2,0,0,0,0|1,1,0]=4 7789 B11R1.172 CC(C)CCSc1nccs1 62a_100000211983_100000210312 [0,2,0,0,0,0|1,1,0]=4 7790 B11R1.172 CC(C)CNCc1c[nH]cn1 2230a_100000210953_100000707719 [0,2,0,0,0,0|2,0,0]=4 7791 B11R1.172 CC(C)CNCc1c[nH]cn1 34a_100000210953_100000707719 [0,2,0,0,0,0|2,0,0]=4 7792 B11R1.172 CC(C)CNCc1cc[nH]n1 207a_100000210953_100000738523 [0,2,0,0,0,0|2,0,0]=4 7793 B11R1.172 CC(C)CNCc1cc[nH]n1 270004a_100000210953_100000738523 [0,2,0,0,0,0|2,0,0]=4 7794 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,2,0,0,0,0|0,0,0]=2 7795 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,2,0,0,0,0|0,0,0]=2 7796 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,2,0,0,0,0|0,0,0]=2 7797 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,2,0,0,0,0|0,0,0]=2 7798 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,2,0,0,0,0|0,0,0]=2 7799 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,2,0,0,0,0|0,1,0]=3 7800 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,2,0,0,0,0|0,1,0]=3 7801 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,2,0,0,0,0|0,1,0]=3 7802 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,2,0,0,0,0|0,1,0]=3 7803 B11R1.172 CC(C)CNCc1ccn[nH]1 2230a_100000210953_100000728653 [0,2,0,0,0,0|2,0,0]=4 7804 B11R1.172 CC(C)CNCc1ccn[nH]1 34a_100000210953_100000728653 [0,2,0,0,0,0|2,0,0]=4 7805 B11R1.172 CC(C)CNCc1ccoc1 207a_100000210953_100011215517 [0,2,0,0,0,0|2,0,0]=4 7806 B11R1.172 CC(C)CNCc1ccoc1 2230a_100015206860_100000210760 [0,2,0,0,0,0|2,0,0]=4 7807 B11R1.172 CC(C)CNCc1ccoc1 270004a_100000210953_100011215517 [0,2,0,0,0,0|2,0,0]=4 7808 B11R1.172 CC(C)CNCc1ccoc1 270004a_100015206860_100000210432 [0,2,0,0,0,0|2,0,0]=4 7809 B11R1.172 CC(C)CNCc1ccoc1 34a_100015206860_100000210624 [0,2,0,0,0,0|2,0,0]=4 7810 B11R1.172 CC(C)CNCc1ccon1 2230a_100000210953_100000234950 [0,2,0,0,0,0|2,0,0]=4 7811 B11R1.172 CC(C)CNCc1ccon1 270004a_100000688301_100000210432 [0,2,0,0,0,0|2,0,0]=4 7812 B11R1.172 CC(C)CNCc1ccon1 34a_100000210953_100000234950 [0,2,0,0,0,0|2,0,0]=4 7813 B11R1.172 CC(C)CNCc1ccsc1 207a_100000210953_100000188534 [0,2,0,0,0,0|2,0,0]=4 7814 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000186416_100000210760 [0,2,0,0,0,0|2,0,0]=4 7815 B11R1.172 CC(C)CNCc1ccsc1 2230a_100000210953_100011261437 [0,2,0,0,0,0|2,0,0]=4 7816 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000186416_100000210432 [0,2,0,0,0,0|2,0,0]=4 7817 B11R1.172 CC(C)CNCc1ccsc1 270004a_100000210953_100000188534 [0,2,0,0,0,0|2,0,0]=4 7818 B11R1.172 CC(C)CNCc1ccsc1 34a_100000186416_100000210624 [0,2,0,0,0,0|2,0,0]=4 7819 B11R1.172 CC(C)CNCc1ccsc1 34a_100000210953_100011261437 [0,2,0,0,0,0|2,0,0]=4 7820 B11R1.172 CC(C)CNCc1cnc[nH]1 207a_100000210953_100000742939 [0,2,0,0,0,0|2,0,0]=4 7821 B11R1.172 CC(C)CNCc1cnco1 270004a_100000210953_100000064291 [0,2,0,0,0,0|1,0,0]=3 7822 B11R1.172 CC(C)CNCc1cnco1 270004a_100020634212_100000210432 [0,2,0,0,0,0|1,0,0]=3 7823 B11R1.172 CC(C)CNCc1cncs1 207a_100000210953_100000749870 [0,2,0,0,0,0|1,1,0]=4 7824 B11R1.172 CC(C)CNCc1cncs1 2230a_100000210953_100015185245 [0,2,0,0,0,0|1,1,0]=4 7825 B11R1.172 CC(C)CNCc1cncs1 2230a_100016987365_100000210760 [0,2,0,0,0,0|1,1,0]=4 7826 B11R1.172 CC(C)CNCc1cncs1 270004a_100000210953_100000749870 [0,2,0,0,0,0|1,1,0]=4 7827 B11R1.172 CC(C)CNCc1cncs1 270004a_100016987365_100000210432 [0,2,0,0,0,0|1,1,0]=4 7828 B11R1.172 CC(C)CNCc1cncs1 34a_100000210953_100015185245 [0,2,0,0,0,0|1,1,0]=4 7829 B11R1.172 CC(C)CNCc1cocn1 270004a_100000210953_100000050382 [0,2,0,0,0,0|2,0,0]=4 7830 B11R1.172 CC(C)CNCc1cocn1 270004a_100015188801_100000210432 [0,2,0,0,0,0|2,0,0]=4 7831 B11R1.172 CC(C)CNCc1cscn1 207a_100000210953_100000743575 [0,2,0,0,0,0|2,0,0]=4 7832 B11R1.172 CC(C)CNCc1cscn1 2230a_100000210953_100000205941 [0,2,0,0,0,0|2,0,0]=4 7833 B11R1.172 CC(C)CNCc1cscn1 2230a_100015185402_100000210760 [0,2,0,0,0,0|2,0,0]=4 7834 B11R1.172 CC(C)CNCc1cscn1 270004a_100000210953_100000743575 [0,2,0,0,0,0|2,0,0]=4 7835 B11R1.172 CC(C)CNCc1cscn1 34a_100000210953_100000205941 [0,2,0,0,0,0|2,0,0]=4 7836 B11R1.172 CC(C)CNCc1ncc[nH]1 207a_100000210953_100000743867 [0,2,0,0,0,0|2,0,0]=4 7837 B11R1.172 CC(C)CNCc1ncc[nH]1 2230a_100000210953_100016991755 [0,2,0,0,0,0|2,0,0]=4 7838 B11R1.172 CC(C)CNCc1ncc[nH]1 270004a_100000754540_100000210432 [0,2,0,0,0,0|2,0,0]=4 7839 B11R1.172 CC(C)CNCc1ncc[nH]1 34a_100000210953_100016991755 [0,2,0,0,0,0|2,0,0]=4 7840 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,2,0,0,0,0|1,0,0]=3 7841 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,2,0,0,0,0|1,0,0]=3 7842 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,2,0,0,0,0|1,0,0]=3 7843 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,2,0,0,0,0|1,0,0]=3 7844 B11R1.172 CC(C)CNCc1nccs1 207a_100000210953_100000750902 [0,2,0,0,0,0|1,1,0]=4 7845 B11R1.172 CC(C)CNCc1nccs1 2230a_100000210953_100015184050 [0,2,0,0,0,0|1,1,0]=4 7846 B11R1.172 CC(C)CNCc1nccs1 2230a_100000740555_100000210760 [0,2,0,0,0,0|1,1,0]=4 7847 B11R1.172 CC(C)CNCc1nccs1 270004a_100000210953_100000750902 [0,2,0,0,0,0|1,1,0]=4 7848 B11R1.172 CC(C)CNCc1nccs1 270004a_100000740555_100000210432 [0,2,0,0,0,0|1,1,0]=4 7849 B11R1.172 CC(C)CNCc1nccs1 34a_100000210953_100015184050 [0,2,0,0,0,0|1,1,0]=4 7850 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,2,0,0,0,0|2,0,0]=4 7851 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,2,0,0,0,0|0,0,0]=2 7852 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,2,0,0,0,0|0,1,0]=3 7853 B11R1.172 CC(C)COCc1ccn[nH]1 34a_100000210257_100000728653 [0,2,0,0,0,0|2,0,0]=4 7854 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,2,0,0,0,0|1,0,0]=3 7855 B11R1.172 CC(C)COCc1ccoc1 34a_100011215357_100000210624 [0,2,0,0,0,0|2,0,0]=4 7856 B11R1.172 CC(C)COCc1ccon1 34a_100000210257_100000234950 [0,2,0,0,0,0|2,0,0]=4 7857 B11R1.172 CC(C)COCc1ccsc1 34a_100000210257_100011261437 [0,2,0,0,0,0|2,0,0]=4 7858 B11R1.172 CC(C)COCc1ccsc1 34a_100011215551_100000210624 [0,2,0,0,0,0|2,0,0]=4 7859 B11R1.172 CC(C)COCc1cncs1 34a_100000210257_100015185245 [0,2,0,0,0,0|1,1,0]=4 7860 B11R1.172 CC(C)COCc1cscn1 34a_100000210257_100000205941 [0,2,0,0,0,0|2,0,0]=4 7861 B11R1.172 CC(C)COCc1ncc[nH]1 34a_100000210257_100016991755 [0,2,0,0,0,0|2,0,0]=4 7862 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,2,0,0,0,0|1,0,0]=3 7863 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,2,0,0,0,0|1,0,0]=3 7864 B11R1.172 CC(C)COCc1nccs1 34a_100000210257_100015184050 [0,2,0,0,0,0|1,1,0]=4 7865 B11R1.172 CC(C)COCn1cccn1 34a_100000731028_100000210624 [0,2,0,0,0,0|2,0,0]=4 7866 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,2,0,0,0,0|2,0,0]=4 7867 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,2,0,0,0,0|2,0,0]=4 7868 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000210624_100000728653 [0,2,0,0,0,0|2,0,0]=4 7869 B11R1.172 CC(C)CSCc1ccn[nH]1 62a_100000728653_100000210760 [0,2,0,0,0,0|2,0,0]=4 7870 B11R1.172 CC(C)CSCc1ccon1 62a_100000210624_100000234950 [0,2,0,0,0,0|2,0,0]=4 7871 B11R1.172 CC(C)CSCc1ccon1 62a_100000234950_100000210760 [0,2,0,0,0,0|2,0,0]=4 7872 B11R1.172 CC(C)CSCc1ccsc1 62a_100000210624_100011233845 [0,2,0,0,0,0|2,0,0]=4 7873 B11R1.172 CC(C)CSCc1ccsc1 62a_100011261437_100000210760 [0,2,0,0,0,0|2,0,0]=4 7874 B11R1.172 CC(C)CSCc1cncs1 62a_100000210624_100015185245 [0,2,0,0,0,0|1,1,0]=4 7875 B11R1.172 CC(C)CSCc1cncs1 62a_100015185245_100000210760 [0,2,0,0,0,0|1,1,0]=4 7876 B11R1.172 CC(C)CSCc1cscn1 62a_100000205941_100000210760 [0,2,0,0,0,0|2,0,0]=4 7877 B11R1.172 CC(C)CSCc1cscn1 62a_100000210624_100000205941 [0,2,0,0,0,0|2,0,0]=4 7878 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100000210624_100016991755 [0,2,0,0,0,0|2,0,0]=4 7879 B11R1.172 CC(C)CSCc1ncc[nH]1 62a_100016991755_100000210760 [0,2,0,0,0,0|2,0,0]=4 7880 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,2,0,0,0,0|1,0,0]=3 7881 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,2,0,0,0,0|1,0,0]=3 7882 B11R1.172 CC(C)CSCc1nccs1 62a_100000210624_100015184050 [0,2,0,0,0,0|1,1,0]=4 7883 B11R1.172 CC(C)CSCc1nccs1 62a_100015184050_100000210760 [0,2,0,0,0,0|1,1,0]=4 7884 B11R1.172 CC(C)NCCc1c[nH]cn1 2230a_100138425928_100020628418 [0,2,0,0,0,0|2,0,0]=4 7885 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,2,0,0,0,0|0,0,0]=2 7886 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,2,0,0,0,0|0,0,0]=2 7887 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,2,0,0,0,0|0,1,0]=3 7888 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,2,0,0,0,0|0,1,0]=3 7889 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,2,0,0,0,0|0,1,0]=3 7890 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,2,0,0,0,0|0,1,0]=3 7891 B11R1.172 CC(C)NCCc1ccsc1 2230a_100000692642_100000210206 [0,2,0,0,0,0|2,0,0]=4 7892 B11R1.172 CC(C)NCCc1ccsc1 34a_100000692642_100000210206 [0,2,0,0,0,0|2,0,0]=4 7893 B11R1.172 CC(C)NCCc1cncs1 2230a_100016991637_100000210206 [0,2,0,0,0,0|1,1,0]=4 7894 B11R1.172 CC(C)NCCc1nccs1 2230a_100015186391_100000210206 [0,2,0,0,0,0|1,1,0]=4 7895 B11R1.172 CC(C)NCCn1cccc1 2230a_100138425928_200009811947 [0,2,0,0,0,0|2,0,0]=4 7896 B11R1.172 CC(C)NCCn1cccc1 34a_100011368172_100000210206 [0,2,0,0,0,0|2,0,0]=4 7897 B11R1.172 CC(C)NCCn1cccn1 2230a_100011200920_100000210206 [0,2,0,0,0,0|2,0,0]=4 7898 B11R1.172 CC(C)NCCn1cccn1 2230a_100138425928_100000685285 [0,2,0,0,0,0|2,0,0]=4 7899 B11R1.172 CC(C)NCCn1cccn1 34a_100138425928_100015204718 [0,2,0,0,0,0|2,0,0]=4 7900 B11R1.172 CC(C)NN=Cc1ccco1 4a_100000741168_100000186105 [0,2,0,0,0,0|1,0,1]=4 7901 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,2,0,0,0,0|0,1,0]=3 7902 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,2,0,0,0,0|0,1,0]=3 7903 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,2,0,0,0,0|0,1,0]=3 7904 B11R1.172 CC(C)OCCc1ccsc1 34a_100000748821_100000210206 [0,2,0,0,0,0|2,0,0]=4 7905 B11R1.172 CC(C)OCCc1ncc[nH]1 34a_103549771195_100000210206 [0,2,0,0,0,0|2,0,0]=4 7906 B11R1.172 CC(C)OCCn1cccc1 34a_100000179382_100000210206 [0,2,0,0,0,0|2,0,0]=4 7907 B11R1.172 CC(C)OCCn1cccn1 34a_100000212225_100015204718 [0,2,0,0,0,0|2,0,0]=4 7908 B11R1.172 CC(C)OCCn1cccn1 34a_100000743371_100000210206 [0,2,0,0,0,0|2,0,0]=4 7909 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,2,0,0,0,0|1,0,0]=3 7910 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,2,0,0,0,0|1,0,0]=3 7911 B11R1.172 CC(C)OCSc1cccs1 62a_100000709892_100011215356 [0,2,0,0,0,0|1,1,0]=4 7912 B11R1.172 CC(C)OCSc1cccs1 62a_100011215356_100000709892 [0,2,0,0,0,0|1,1,0]=4 7913 B11R1.172 CC(C)OCSc1cnco1 62a_100000709892_100020591547 [0,2,0,0,0,0|2,0,0]=4 7914 B11R1.172 CC(C)OCSc1cnco1 62a_100020591547_100000709892 [0,2,0,0,0,0|2,0,0]=4 7915 B11R1.172 CC(C)OCSc1ncco1 62a_100000709892_100011787736 [0,2,0,0,0,0|2,0,0]=4 7916 B11R1.172 CC(C)OCSc1ncco1 62a_100011787736_100000709892 [0,2,0,0,0,0|2,0,0]=4 7917 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100000210206_100020628418 [0,2,0,0,0,0|2,0,0]=4 7918 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100020628418_100000210206 [0,2,0,0,0,0|2,0,0]=4 7919 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,2,0,0,0,0|0,1,0]=3 7920 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,2,0,0,0,0|0,1,0]=3 7921 B11R1.172 CC(C)SCCn1cccc1 62a_100000210206_200000035178 [0,2,0,0,0,0|2,0,0]=4 7922 B11R1.172 CC(C)SCCn1cccc1 62a_200009811947_100000210206 [0,2,0,0,0,0|2,0,0]=4 7923 B11R1.172 CC(C)SCCn1cccn1 62a_100000210206_100000685285 [0,2,0,0,0,0|2,0,0]=4 7924 B11R1.172 CC(C)SCCn1cccn1 62a_100015204718_100000210206 [0,2,0,0,0,0|2,0,0]=4 7925 B11R1.172 CC(F)COCc1c[nH]cn1 34a_100015925927_100000707719 [0,2,0,0,0,0|2,0,0]=4 7926 B11R1.172 CC(F)COCc1ccn[nH]1 34a_100015925927_100000728653 [0,2,0,0,0,0|2,0,0]=4 7927 B11R1.172 CC(F)COCc1ccon1 34a_100015925927_100000234950 [0,2,0,0,0,0|2,0,0]=4 7928 B11R1.172 CC(F)COCc1ccsc1 34a_100015925927_100011261437 [0,2,0,0,0,0|2,0,0]=4 7929 B11R1.172 CC(F)COCc1cncs1 34a_100015925927_100015185245 [0,2,0,0,0,0|1,1,0]=4 7930 B11R1.172 CC(F)COCc1cscn1 34a_100015925927_100000205941 [0,2,0,0,0,0|2,0,0]=4 7931 B11R1.172 CC(F)COCc1ncc[nH]1 34a_100015925927_100016991755 [0,2,0,0,0,0|2,0,0]=4 7932 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,2,0,0,0,0|1,0,0]=3 7933 B11R1.172 CC(F)COCc1nccs1 34a_100015925927_100015184050 [0,2,0,0,0,0|1,1,0]=4 7934 B11R1.172 CC(O)CCOc1ccsc1 34a_100000106738_100012276601 [0,2,0,0,0,0|2,0,0]=4 7935 B11R1.172 CC(O)CCOc1ccsc1 7a_100000106738_100012276601 [0,2,0,0,0,0|2,0,0]=4 7936 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100000756875_100012276601 [0,2,0,0,0,0|2,0,0]=4 7937 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100012276601_100000756875 [0,2,0,0,0,0|2,0,0]=4 7938 B11R1.172 CC(O)CCSc1cc[nH]n1 62a_100000062575_100012276601 [0,2,0,0,0,0|2,0,0]=4 7939 B11R1.172 CC(O)CCSc1cc[nH]n1 62a_100012276601_100000062575 [0,2,0,0,0,0|2,0,0]=4 7940 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,2,0,0,0,0|0,0,0]=2 7941 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,2,0,0,0,0|0,0,0]=2 7942 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,2,0,0,0,0|0,1,0]=3 7943 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,2,0,0,0,0|0,1,0]=3 7944 B11R1.172 CC(O)CCSc1ccoc1 62a_100011215275_100012276601 [0,2,0,0,0,0|2,0,0]=4 7945 B11R1.172 CC(O)CCSc1ccoc1 62a_100012276601_100011215275 [0,2,0,0,0,0|2,0,0]=4 7946 B11R1.172 CC(O)CCSc1ccon1 62a_100009818083_100012276601 [0,2,0,0,0,0|2,0,0]=4 7947 B11R1.172 CC(O)CCSc1ccon1 62a_100012276601_100009818083 [0,2,0,0,0,0|2,0,0]=4 7948 B11R1.172 CC(O)CCSc1ccsc1 62a_100000738268_100012276601 [0,2,0,0,0,0|2,0,0]=4 7949 B11R1.172 CC(O)CCSc1ccsc1 62a_100012276601_100000738268 [0,2,0,0,0,0|2,0,0]=4 7950 B11R1.172 CC(O)CCSc1ccsn1 62a_100009818082_100012276601 [0,2,0,0,0,0|2,0,0]=4 7951 B11R1.172 CC(O)CCSc1ccsn1 62a_100012276601_100009818082 [0,2,0,0,0,0|2,0,0]=4 7952 B11R1.172 CC(O)CCSc1cnco1 62a_100012276601_100020591547 [0,2,0,0,0,0|1,0,0]=3 7953 B11R1.172 CC(O)CCSc1cnco1 62a_100020591547_100012276601 [0,2,0,0,0,0|1,0,0]=3 7954 B11R1.172 CC(O)CCSc1cncs1 62a_100011934649_100012276601 [0,2,0,0,0,0|1,1,0]=4 7955 B11R1.172 CC(O)CCSc1cncs1 62a_100012276601_100011934649 [0,2,0,0,0,0|1,1,0]=4 7956 B11R1.172 CC(O)CCSc1cscn1 62a_100000751502_100012276601 [0,2,0,0,0,0|2,0,0]=4 7957 B11R1.172 CC(O)CCSc1cscn1 62a_100012276601_100000751502 [0,2,0,0,0,0|2,0,0]=4 7958 B11R1.172 CC(O)CCSc1ncc[nH]1 62a_100012276601_100025796157 [0,2,0,0,0,0|2,0,0]=4 7959 B11R1.172 CC(O)CCSc1ncc[nH]1 62a_100025796157_100012276601 [0,2,0,0,0,0|2,0,0]=4 7960 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [0,2,0,0,0,0|1,0,0]=3 7961 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [0,2,0,0,0,0|1,0,0]=3 7962 B11R1.172 CC(O)CCSc1nccs1 62a_100000211983_100012276601 [0,2,0,0,0,0|1,1,0]=4 7963 B11R1.172 CC(O)CCSc1nccs1 62a_100012276601_100000211983 [0,2,0,0,0,0|1,1,0]=4 7964 B11R1.172 CC(O)CNCc1c[nH]cn1 2230a_100000210904_100000707719 [0,2,0,0,0,0|2,0,0]=4 7965 B11R1.172 CC(O)CNCc1c[nH]cn1 34a_100000210904_100000707719 [0,2,0,0,0,0|2,0,0]=4 7966 B11R1.172 CC(O)CNCc1cc[nH]n1 207a_100000210904_100000738523 [0,2,0,0,0,0|2,0,0]=4 7967 B11R1.172 CC(O)CNCc1cc[nH]n1 270004a_100000210904_100000738523 [0,2,0,0,0,0|2,0,0]=4 7968 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,2,0,0,0,0|0,0,0]=2 7969 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,2,0,0,0,0|0,0,0]=2 7970 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,2,0,0,0,0|0,0,0]=2 7971 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,2,0,0,0,0|0,0,0]=2 7972 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,2,0,0,0,0|0,1,0]=3 7973 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,2,0,0,0,0|0,1,0]=3 7974 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,2,0,0,0,0|0,1,0]=3 7975 B11R1.172 CC(O)CNCc1ccn[nH]1 2230a_100000210904_100000728653 [0,2,0,0,0,0|2,0,0]=4 7976 B11R1.172 CC(O)CNCc1ccn[nH]1 34a_100000210904_100000728653 [0,2,0,0,0,0|2,0,0]=4 7977 B11R1.172 CC(O)CNCc1ccoc1 207a_100000210904_100011215517 [0,2,0,0,0,0|2,0,0]=4 7978 B11R1.172 CC(O)CNCc1ccoc1 2230a_100015206860_100011218427 [0,2,0,0,0,0|2,0,0]=4 7979 B11R1.172 CC(O)CNCc1ccoc1 270004a_100000210904_100011215517 [0,2,0,0,0,0|2,0,0]=4 7980 B11R1.172 CC(O)CNCc1ccoc1 34a_100015206860_100011218427 [0,2,0,0,0,0|2,0,0]=4 7981 B11R1.172 CC(O)CNCc1ccon1 2230a_100000210904_100000234950 [0,2,0,0,0,0|2,0,0]=4 7982 B11R1.172 CC(O)CNCc1ccon1 34a_100000210904_100000234950 [0,2,0,0,0,0|2,0,0]=4 7983 B11R1.172 CC(O)CNCc1ccsc1 207a_100000210904_100000188534 [0,2,0,0,0,0|2,0,0]=4 7984 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000186416_100011218427 [0,2,0,0,0,0|2,0,0]=4 7985 B11R1.172 CC(O)CNCc1ccsc1 2230a_100000210904_100011261437 [0,2,0,0,0,0|2,0,0]=4 7986 B11R1.172 CC(O)CNCc1ccsc1 270004a_100000210904_100000188534 [0,2,0,0,0,0|2,0,0]=4 7987 B11R1.172 CC(O)CNCc1ccsc1 34a_100000186416_100011218427 [0,2,0,0,0,0|2,0,0]=4 7988 B11R1.172 CC(O)CNCc1ccsc1 34a_100000210904_100011261437 [0,2,0,0,0,0|2,0,0]=4 7989 B11R1.172 CC(O)CNCc1cnc[nH]1 207a_100000210904_100000742939 [0,2,0,0,0,0|2,0,0]=4 7990 B11R1.172 CC(O)CNCc1cnco1 270004a_100000210904_100000064291 [0,2,0,0,0,0|1,0,0]=3 7991 B11R1.172 CC(O)CNCc1cncs1 207a_100000210904_100000749870 [0,2,0,0,0,0|1,1,0]=4 7992 B11R1.172 CC(O)CNCc1cncs1 2230a_100000210904_100015185245 [0,2,0,0,0,0|1,1,0]=4 7993 B11R1.172 CC(O)CNCc1cncs1 2230a_100016987365_100011218427 [0,2,0,0,0,0|1,1,0]=4 7994 B11R1.172 CC(O)CNCc1cncs1 270004a_100000210904_100000749870 [0,2,0,0,0,0|1,1,0]=4 7995 B11R1.172 CC(O)CNCc1cncs1 34a_100000210904_100015185245 [0,2,0,0,0,0|1,1,0]=4 7996 B11R1.172 CC(O)CNCc1cocn1 270004a_100000210904_100000050382 [0,2,0,0,0,0|2,0,0]=4 7997 B11R1.172 CC(O)CNCc1cscn1 207a_100000210904_100000743575 [0,2,0,0,0,0|2,0,0]=4 7998 B11R1.172 CC(O)CNCc1cscn1 2230a_100000210904_100000205941 [0,2,0,0,0,0|2,0,0]=4 7999 B11R1.172 CC(O)CNCc1cscn1 2230a_100015185402_100011218427 [0,2,0,0,0,0|2,0,0]=4 8000 B11R1.172 CC(O)CNCc1cscn1 270004a_100000210904_100000743575 [0,2,0,0,0,0|2,0,0]=4 8001 B11R1.172 CC(O)CNCc1cscn1 34a_100000210904_100000205941 [0,2,0,0,0,0|2,0,0]=4 8002 B11R1.172 CC(O)CNCc1ncc[nH]1 207a_100000210904_100000743867 [0,2,0,0,0,0|2,0,0]=4 8003 B11R1.172 CC(O)CNCc1ncc[nH]1 2230a_100000210904_100016991755 [0,2,0,0,0,0|2,0,0]=4 8004 B11R1.172 CC(O)CNCc1ncc[nH]1 34a_100000210904_100016991755 [0,2,0,0,0,0|2,0,0]=4 8005 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,2,0,0,0,0|1,0,0]=3 8006 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,2,0,0,0,0|1,0,0]=3 8007 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,2,0,0,0,0|1,0,0]=3 8008 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,2,0,0,0,0|1,0,0]=3 8009 B11R1.172 CC(O)CNCc1nccs1 207a_100000210904_100000750902 [0,2,0,0,0,0|1,1,0]=4 8010 B11R1.172 CC(O)CNCc1nccs1 2230a_100000210904_100015184050 [0,2,0,0,0,0|1,1,0]=4 8011 B11R1.172 CC(O)CNCc1nccs1 2230a_100000740555_100011218427 [0,2,0,0,0,0|1,1,0]=4 8012 B11R1.172 CC(O)CNCc1nccs1 270004a_100000210904_100000750902 [0,2,0,0,0,0|1,1,0]=4 8013 B11R1.172 CC(O)CNCc1nccs1 34a_100000210904_100015184050 [0,2,0,0,0,0|1,1,0]=4 8014 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,2,0,0,0,0|0,0,0]=2 8015 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,2,0,0,0,0|0,1,0]=3 8016 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,2,0,0,0,0|1,0,0]=3 8017 B11R1.172 CC(O)COCc1ccoc1 34a_100011215357_100011218427 [0,2,0,0,0,0|2,0,0]=4 8018 B11R1.172 CC(O)COCc1ccsc1 34a_100011215551_100011218427 [0,2,0,0,0,0|2,0,0]=4 8019 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,2,0,0,0,0|1,0,0]=3 8020 B11R1.172 CC(O)COCn1cccn1 34a_100000731028_100011218427 [0,2,0,0,0,0|2,0,0]=4 8021 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,2,0,0,0,0|2,0,0]=4 8022 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,2,0,0,0,0|2,0,0]=4 8023 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100000728653_100011218427 [0,2,0,0,0,0|2,0,0]=4 8024 B11R1.172 CC(O)CSCc1ccn[nH]1 62a_100011218427_100000728653 [0,2,0,0,0,0|2,0,0]=4 8025 B11R1.172 CC(O)CSCc1ccon1 62a_100000234950_100011218427 [0,2,0,0,0,0|2,0,0]=4 8026 B11R1.172 CC(O)CSCc1ccon1 62a_100011218427_100000234950 [0,2,0,0,0,0|2,0,0]=4 8027 B11R1.172 CC(O)CSCc1ccsc1 62a_100011218427_100011233845 [0,2,0,0,0,0|2,0,0]=4 8028 B11R1.172 CC(O)CSCc1ccsc1 62a_100011261437_100011218427 [0,2,0,0,0,0|2,0,0]=4 8029 B11R1.172 CC(O)CSCc1cncs1 62a_100011218427_100015185245 [0,2,0,0,0,0|1,1,0]=4 8030 B11R1.172 CC(O)CSCc1cncs1 62a_100015185245_100011218427 [0,2,0,0,0,0|1,1,0]=4 8031 B11R1.172 CC(O)CSCc1cscn1 62a_100000205941_100011218427 [0,2,0,0,0,0|2,0,0]=4 8032 B11R1.172 CC(O)CSCc1cscn1 62a_100011218427_100000205941 [0,2,0,0,0,0|2,0,0]=4 8033 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100011218427_100016991755 [0,2,0,0,0,0|2,0,0]=4 8034 B11R1.172 CC(O)CSCc1ncc[nH]1 62a_100016991755_100011218427 [0,2,0,0,0,0|2,0,0]=4 8035 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,2,0,0,0,0|1,0,0]=3 8036 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,2,0,0,0,0|1,0,0]=3 8037 B11R1.172 CC(O)CSCc1nccs1 62a_100011218427_100015184050 [0,2,0,0,0,0|1,1,0]=4 8038 B11R1.172 CC(O)CSCc1nccs1 62a_100015184050_100011218427 [0,2,0,0,0,0|1,1,0]=4 8039 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,2,0,0,0,0|0,0,2]=4 8040 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,2,0,0,0,0|0,1,0]=3 8041 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,2,0,0,0,0|0,1,0]=3 8042 B11R1.172 CN(C)CCCn1cccc1 2230a_100102631434_200009814367 [0,2,0,0,0,0|2,0,0]=4 8043 B11R1.172 CN(C)CCCn1cccc1 269982a_100102631434_200009814367 [0,2,0,0,0,0|2,0,0]=4 8044 B11R1.172 CN(C)CCCn1cccn1 2230a_100102631434_100000739983 [0,2,0,0,0,0|2,0,0]=4 8045 B11R1.172 CN(C)CCCn1cccn1 269982a_100102631434_100000739983 [0,2,0,0,0,0|2,0,0]=4 8046 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,2,0,0,0,0|1,0,0]=3 8047 B11R1.172 CN(C)CCSc1cccs1 62a_100011215356_100000755713 [0,2,0,0,0,0|1,1,0]=4 8048 B11R1.172 CN(C)CCSc1cnco1 62a_100020591547_100000755713 [0,2,0,0,0,0|2,0,0]=4 8049 B11R1.172 CN(C)CCSc1ncco1 62a_100011787736_100000755713 [0,2,0,0,0,0|2,0,0]=4 8050 B11R1.172 C[C@@H](Cl)COCc1c[nH]cn1 34a_100016084084_100000707719 [0,2,0,0,0,0|2,0,0]=4 8051 B11R1.172 C[C@@H](Cl)COCc1ccn[nH]1 34a_100016084084_100000728653 [0,2,0,0,0,0|2,0,0]=4 8052 B11R1.172 C[C@@H](Cl)COCc1ccon1 34a_100016084084_100000234950 [0,2,0,0,0,0|2,0,0]=4 8053 B11R1.172 C[C@@H](Cl)COCc1ccsc1 34a_100016084084_100011261437 [0,2,0,0,0,0|2,0,0]=4 8054 B11R1.172 C[C@@H](Cl)COCc1cncs1 34a_100016084084_100015185245 [0,2,0,0,0,0|1,1,0]=4 8055 B11R1.172 C[C@@H](Cl)COCc1cscn1 34a_100016084084_100000205941 [0,2,0,0,0,0|2,0,0]=4 8056 B11R1.172 C[C@@H](Cl)COCc1ncc[nH]1 34a_100016084084_100016991755 [0,2,0,0,0,0|2,0,0]=4 8057 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,2,0,0,0,0|1,0,0]=3 8058 B11R1.172 C[C@@H](Cl)COCc1nccs1 34a_100016084084_100015184050 [0,2,0,0,0,0|1,1,0]=4 8059 B11R1.172 C[C@@H](N)COCc1c[nH]cn1 34a_100000737577_100000707719 [0,2,0,0,0,0|2,0,0]=4 8060 B11R1.172 C[C@@H](N)COCc1ccn[nH]1 34a_100000737577_100000728653 [0,2,0,0,0,0|2,0,0]=4 8061 B11R1.172 C[C@@H](N)COCc1ccon1 34a_100000737577_100000234950 [0,2,0,0,0,0|2,0,0]=4 8062 B11R1.172 C[C@@H](N)COCc1ccsc1 34a_100000737577_100011261437 [0,2,0,0,0,0|2,0,0]=4 8063 B11R1.172 C[C@@H](N)COCc1cncs1 34a_100000737577_100015185245 [0,2,0,0,0,0|1,1,0]=4 8064 B11R1.172 C[C@@H](N)COCc1cscn1 34a_100000737577_100000205941 [0,2,0,0,0,0|2,0,0]=4 8065 B11R1.172 C[C@@H](N)COCc1ncc[nH]1 34a_100000737577_100016991755 [0,2,0,0,0,0|2,0,0]=4 8066 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,2,0,0,0,0|1,0,0]=3 8067 B11R1.172 C[C@@H](N)COCc1nccs1 34a_100000737577_100015184050 [0,2,0,0,0,0|1,1,0]=4 8068 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,2,0,0,0,0|0,0,0]=2 8069 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,2,0,0,0,0|0,0,0]=2 8070 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,2,0,0,0,0|0,1,0]=3 8071 B11R1.172 C[C@@H](O)CNCc1ccoc1 2230a_100015206860_100009817552 [0,2,0,0,0,0|2,0,0]=4 8072 B11R1.172 C[C@@H](O)CNCc1ccoc1 34a_100015206860_100009817552 [0,2,0,0,0,0|2,0,0]=4 8073 B11R1.172 C[C@@H](O)CNCc1ccsc1 2230a_100000186416_100009817552 [0,2,0,0,0,0|2,0,0]=4 8074 B11R1.172 C[C@@H](O)CNCc1ccsc1 34a_100000186416_100009817552 [0,2,0,0,0,0|2,0,0]=4 8075 B11R1.172 C[C@@H](O)CNCc1cncs1 2230a_100016987365_100009817552 [0,2,0,0,0,0|1,1,0]=4 8076 B11R1.172 C[C@@H](O)CNCc1cscn1 2230a_100015185402_100009817552 [0,2,0,0,0,0|2,0,0]=4 8077 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,2,0,0,0,0|1,0,0]=3 8078 B11R1.172 C[C@@H](O)CNCc1nccs1 2230a_100000740555_100009817552 [0,2,0,0,0,0|1,1,0]=4 8079 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,2,0,0,0,0|0,0,0]=2 8080 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,2,0,0,0,0|0,1,0]=3 8081 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,2,0,0,0,0|1,0,0]=3 8082 B11R1.172 C[C@@H](O)COCc1ccoc1 34a_100011215357_100009817552 [0,2,0,0,0,0|2,0,0]=4 8083 B11R1.172 C[C@@H](O)COCc1ccsc1 34a_100011215551_100009817552 [0,2,0,0,0,0|2,0,0]=4 8084 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,2,0,0,0,0|1,0,0]=3 8085 B11R1.172 C[C@@H](O)COCn1cccn1 34a_100000731028_100009817552 [0,2,0,0,0,0|2,0,0]=4 8086 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,2,0,0,0,0|2,0,0]=4 8087 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,2,0,0,0,0|2,0,0]=4 8088 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100000728653_100009817552 [0,2,0,0,0,0|2,0,0]=4 8089 B11R1.172 C[C@@H](O)CSCc1ccn[nH]1 62a_100009817552_100000728653 [0,2,0,0,0,0|2,0,0]=4 8090 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100000234950_100009817552 [0,2,0,0,0,0|2,0,0]=4 8091 B11R1.172 C[C@@H](O)CSCc1ccon1 62a_100009817552_100000234950 [0,2,0,0,0,0|2,0,0]=4 8092 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100009817552_100011233845 [0,2,0,0,0,0|2,0,0]=4 8093 B11R1.172 C[C@@H](O)CSCc1ccsc1 62a_100011261437_100009817552 [0,2,0,0,0,0|2,0,0]=4 8094 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100009817552_100015185245 [0,2,0,0,0,0|1,1,0]=4 8095 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100015185245_100009817552 [0,2,0,0,0,0|1,1,0]=4 8096 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100000205941_100009817552 [0,2,0,0,0,0|2,0,0]=4 8097 B11R1.172 C[C@@H](O)CSCc1cscn1 62a_100009817552_100000205941 [0,2,0,0,0,0|2,0,0]=4 8098 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100009817552_100016991755 [0,2,0,0,0,0|2,0,0]=4 8099 B11R1.172 C[C@@H](O)CSCc1ncc[nH]1 62a_100016991755_100009817552 [0,2,0,0,0,0|2,0,0]=4 8100 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,2,0,0,0,0|1,0,0]=3 8101 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,2,0,0,0,0|1,0,0]=3 8102 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100009817552_100015184050 [0,2,0,0,0,0|1,1,0]=4 8103 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100015184050_100009817552 [0,2,0,0,0,0|1,1,0]=4 8104 B11R1.172 FC(F)CNCc1ccco1 207a_100000765723_100000186105 [0,2,0,0,0,0|1,0,0]=3 8105 B11R1.172 FC(F)CNCc1ccco1 2230a_100000185738_100011934356 [0,2,0,0,0,0|1,0,0]=3 8106 B11R1.172 FC(F)CNCc1ccco1 270004a_100000765723_100000186105 [0,2,0,0,0,0|1,0,0]=3 8107 B11R1.172 FC(F)CNCc1ccco1 34a_100000185738_100011934356 [0,2,0,0,0,0|1,0,0]=3 8108 B11R1.172 FC(F)CNCc1cccs1 207a_100000765723_100000209959 [0,2,0,0,0,0|1,1,0]=4 8109 B11R1.172 FC(F)CNCc1cccs1 2230a_100000211653_100011934356 [0,2,0,0,0,0|1,1,0]=4 8110 B11R1.172 FC(F)CNCc1cccs1 270004a_100000765723_100000209959 [0,2,0,0,0,0|1,1,0]=4 8111 B11R1.172 FC(F)CNCc1cnco1 270004a_100000765723_100000064291 [0,2,0,0,0,0|2,0,0]=4 8112 B11R1.172 FC(F)CNCc1ncco1 2230a_100016994969_100011934356 [0,2,0,0,0,0|2,0,0]=4 8113 B11R1.172 FC(F)CNCc1ncco1 270004a_100000765723_100000064290 [0,2,0,0,0,0|2,0,0]=4 8114 B11R1.172 FC(F)CNCc1ncco1 34a_100000765723_103436540062 [0,2,0,0,0,0|2,0,0]=4 8115 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,2,0,0,0,0|1,0,0]=3 8116 B11R1.172 FC(F)COCc1cccs1 34a_100000211240_100011934356 [0,2,0,0,0,0|1,1,0]=4 8117 B11R1.172 FC(F)COCc1ccno1 34a_100000740478_100011934356 [0,2,0,0,0,0|2,0,0]=4 8118 B11R1.172 FC(F)COCc1ncco1 34a_100000062594_100011934356 [0,2,0,0,0,0|2,0,0]=4 8119 B11R1.172 FC(F)COCc1ncco1 34a_100000743014_103436540062 [0,2,0,0,0,0|2,0,0]=4 8120 B11R1.172 FC(F)CSCc1ncco1 62a_100011934356_103436540062 [0,2,0,0,0,0|2,0,0]=4 8121 B11R1.172 FC(F)CSCc1ncco1 62a_103436540062_100011934356 [0,2,0,0,0,0|2,0,0]=4 8122 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,2,0,0,0,0|1,0,1]=4 8123 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,2,0,0,0,0|1,0,1]=4 8124 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,2,0,0,0,0|1,0,1]=4 8125 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,2,0,0,0,0|1,0,1]=4 8126 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,2,0,0,0,0|1,0,1]=4 8127 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,2,0,0,0,0|1,0,1]=4 8128 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,2,0,0,0,0|1,0,1]=4 8129 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,2,0,0,0,0|2,0,0]=4 8130 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,2,0,0,0,0|2,0,0]=4 8131 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,2,0,0,0,0|0,1,0]=3 8132 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,2,0,0,0,0|2,0,0]=4 8133 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,2,0,0,0,0|2,0,0]=4 8134 B11R1.180 C#CCOCc1occc1C 34a_100011273948_100000184674 [0,2,0,0,0,0|0,0,2]=4 8135 B11R1.180 C#CCOCc1occc1C 7a_100011273948_100000038162 [0,2,0,0,0,0|0,0,2]=4 8136 B11R1.180 C=CCNCc1occc1Br 270004a_100020586998_100000756499 [0,2,0,0,0,0|0,0,2]=4 8137 B11R1.180 C=CCNCc1occc1C 270004a_100020586998_100000763527 [0,2,0,0,0,0|0,0,2]=4 8138 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [0,2,0,0,0,0|0,0,2]=4 8139 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [0,2,0,0,0,0|0,0,2]=4 8140 B11R1.180 CCCC=Cc1sccc1Br 271570a_100016258520_100012361411 [0,2,0,0,0,0|0,1,1]=4 8141 B11R1.180 CCCC=Cc1sccc1C 271570a_100016258520_100000742657 [0,2,0,0,0,0|0,1,1]=4 8142 B11R1.180 CCCCOc1ccnn1C 34a_100020632926_100000210210 [0,2,0,0,0,0|2,0,0]=4 8143 B11R1.180 CCCCSc1[nH]cnc1Cl 62a_100000210211_100010200774 [0,2,0,0,0,0|2,0,0]=4 8144 B11R1.180 CCCCSc1[nH]cnc1Cl 62a_100010200774_100000210210 [0,2,0,0,0,0|2,0,0]=4 8145 B11R1.180 CCCCSc1ccnn1C 62a_100000210211_100000688441 [0,2,0,0,0,0|2,0,0]=4 8146 B11R1.180 CCCCSc1ccnn1C 62a_100000688441_100000210210 [0,2,0,0,0,0|2,0,0]=4 8147 B11R1.180 CCCCSc1ccsc1C 62a_100000210211_100000684487 [0,2,0,0,0,0|2,0,0]=4 8148 B11R1.180 CCCCSc1ccsc1C 62a_100000684487_100000210210 [0,2,0,0,0,0|2,0,0]=4 8149 B11R1.180 CCCCSc1cncn1C 62a_100000210211_100009814087 [0,2,0,0,0,0|2,0,0]=4 8150 B11R1.180 CCCCSc1cncn1C 62a_100009814087_100000210210 [0,2,0,0,0,0|2,0,0]=4 8151 B11R1.180 CCCCSc1cscc1Br 62a_100000210211_100010143727 [0,2,0,0,0,0|2,0,0]=4 8152 B11R1.180 CCCCSc1cscc1Br 62a_100010143727_100000210210 [0,2,0,0,0,0|2,0,0]=4 8153 B11R1.180 CCCCSc1cscc1C 62a_100000210211_100000759966 [0,2,0,0,0,0|2,0,0]=4 8154 B11R1.180 CCCCSc1cscc1C 62a_100000759966_100000210210 [0,2,0,0,0,0|2,0,0]=4 8155 B11R1.180 CCCCSc1n[nH]cc1Br 62a_100000210211_100015839836 [0,2,0,0,0,0|2,0,0]=4 8156 B11R1.180 CCCCSc1n[nH]cc1Br 62a_100015839836_100000210210 [0,2,0,0,0,0|2,0,0]=4 8157 B11R1.180 CCCCSc1n[nH]cc1C 62a_100000210211_100009871783 [0,2,0,0,0,0|2,0,0]=4 8158 B11R1.180 CCCCSc1n[nH]cc1C 62a_100009871783_100000210210 [0,2,0,0,0,0|2,0,0]=4 8159 B11R1.180 CCCCSc1n[nH]cc1N 62a_100000210211_100010894806 [0,2,0,0,0,0|2,0,0]=4 8160 B11R1.180 CCCCSc1n[nH]cc1N 62a_100010894806_100000210210 [0,2,0,0,0,0|2,0,0]=4 8161 B11R1.180 CCCCSc1nc[nH]c1C 62a_100000210211_100010186451 [0,2,0,0,0,0|2,0,0]=4 8162 B11R1.180 CCCCSc1nc[nH]c1C 62a_100010186451_100000210210 [0,2,0,0,0,0|2,0,0]=4 8163 B11R1.180 CCCCSc1nccn1C 62a_100000210211_100000707724 [0,2,0,0,0,0|2,0,0]=4 8164 B11R1.180 CCCCSc1nccn1C 62a_100000707724_100000210210 [0,2,0,0,0,0|2,0,0]=4 8165 B11R1.180 CCCCSc1ncsc1C 62a_100000210211_100000732656 [0,2,0,0,0,0|2,0,0]=4 8166 B11R1.180 CCCCSc1ncsc1C 62a_100000732656_100000210210 [0,2,0,0,0,0|2,0,0]=4 8167 B11R1.180 CCCCSc1sccc1Br 62a_100000210211_100012361411 [0,2,0,0,0,0|0,1,0]=3 8168 B11R1.180 CCCCSc1sccc1Br 62a_100012361411_100000210210 [0,2,0,0,0,0|0,1,0]=3 8169 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [0,2,0,0,0,0|0,1,0]=3 8170 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [0,2,0,0,0,0|0,1,0]=3 8171 B11R1.180 CCCCSc1scnc1C 62a_100000210211_100009817116 [0,2,0,0,0,0|1,1,0]=4 8172 B11R1.180 CCCCSc1scnc1C 62a_100009817116_100000210210 [0,2,0,0,0,0|1,1,0]=4 8173 B11R1.180 CCCNCc1[nH]ncc1Br 207a_100020643023_100000732679 [0,2,0,0,0,0|2,0,0]=4 8174 B11R1.180 CCCNCc1[nH]ncc1Br 270004a_100020643023_100000732679 [0,2,0,0,0,0|2,0,0]=4 8175 B11R1.180 CCCNCc1[nH]ncc1C 207a_100020643023_100000708485 [0,2,0,0,0,0|2,0,0]=4 8176 B11R1.180 CCCNCc1[nH]ncc1C 270004a_100020643023_100000708485 [0,2,0,0,0,0|2,0,0]=4 8177 B11R1.180 CCCNCc1cccn1C 270004a_100020643023_100000211633 [0,2,0,0,0,0|1,0,0]=3 8178 B11R1.180 CCCNCc1cccn1C 34a_100011219357_100000210303 [0,2,0,0,0,0|1,0,0]=3 8179 B11R1.180 CCCNCc1ccnn1C 207a_100020643023_100000737161 [0,2,0,0,0,0|2,0,0]=4 8180 B11R1.180 CCCNCc1ccnn1C 270004a_100020643023_100000737161 [0,2,0,0,0,0|2,0,0]=4 8181 B11R1.180 CCCNCc1ccnn1C 34a_100025706696_100000210303 [0,2,0,0,0,0|2,0,0]=4 8182 B11R1.180 CCCNCc1ccsc1Br 207a_100020643023_100009816921 [0,2,0,0,0,0|2,0,0]=4 8183 B11R1.180 CCCNCc1ccsc1Br 2230a_100000727803_100000210303 [0,2,0,0,0,0|2,0,0]=4 8184 B11R1.180 CCCNCc1ccsc1Br 270004a_100020643023_100009816921 [0,2,0,0,0,0|2,0,0]=4 8185 B11R1.180 CCCNCc1ccsc1Br 34a_100000727803_100000210303 [0,2,0,0,0,0|2,0,0]=4 8186 B11R1.180 CCCNCc1ccsc1Cl 207a_100020643023_100000089901 [0,2,0,0,0,0|2,0,0]=4 8187 B11R1.180 CCCNCc1ccsc1Cl 270004a_100020643023_100000089901 [0,2,0,0,0,0|2,0,0]=4 8188 B11R1.180 CCCNCc1cncn1C 207a_100020643023_100000750899 [0,2,0,0,0,0|2,0,0]=4 8189 B11R1.180 CCCNCc1cncn1C 270004a_100020643023_100000750899 [0,2,0,0,0,0|2,0,0]=4 8190 B11R1.180 CCCNCc1cscc1Br 207a_100020643023_100000685484 [0,2,0,0,0,0|2,0,0]=4 8191 B11R1.180 CCCNCc1cscc1Br 270004a_100020643023_100000685484 [0,2,0,0,0,0|2,0,0]=4 8192 B11R1.180 CCCNCc1n[nH]cc1Cl 207a_100020643023_100000040271 [0,2,0,0,0,0|2,0,0]=4 8193 B11R1.180 CCCNCc1n[nH]cc1Cl 270004a_100020643023_100000040271 [0,2,0,0,0,0|2,0,0]=4 8194 B11R1.180 CCCNCc1nc[nH]c1C 207a_100020643023_100000032982 [0,2,0,0,0,0|2,0,0]=4 8195 B11R1.180 CCCNCc1nccn1C 207a_100020643023_100000748660 [0,2,0,0,0,0|2,0,0]=4 8196 B11R1.180 CCCNCc1nccn1C 2230a_100015186572_100000210303 [0,2,0,0,0,0|2,0,0]=4 8197 B11R1.180 CCCNCc1nccn1C 270004a_100020643023_100000748660 [0,2,0,0,0,0|2,0,0]=4 8198 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [0,2,0,0,0,0|0,0,0]=2 8199 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [0,2,0,0,0,0|0,0,0]=2 8200 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [0,2,0,0,0,0|0,0,0]=2 8201 B11R1.180 CCCNCc1sccc1Br 207a_100020643023_100000766043 [0,2,0,0,0,0|0,1,0]=3 8202 B11R1.180 CCCNCc1sccc1Br 270004a_100020643023_100000766043 [0,2,0,0,0,0|0,1,0]=3 8203 B11R1.180 CCCNCc1sccc1C 207a_100020643023_100000210881 [0,2,0,0,0,0|0,1,0]=3 8204 B11R1.180 CCCNCc1sccc1C 2230a_100000238519_100000210303 [0,2,0,0,0,0|0,1,0]=3 8205 B11R1.180 CCCNCc1sccc1C 270004a_100020643023_100000210881 [0,2,0,0,0,0|0,1,0]=3 8206 B11R1.180 CCCNCc1sccc1C 34a_100000238519_100000210303 [0,2,0,0,0,0|0,1,0]=3 8207 B11R1.180 CCCNCc1sccc1Cl 207a_100020643023_100000722334 [0,2,0,0,0,0|0,1,0]=3 8208 B11R1.180 CCCNCc1sccc1Cl 2230a_100011934584_100000210303 [0,2,0,0,0,0|0,1,0]=3 8209 B11R1.180 CCCNCc1sccc1Cl 270004a_100020643023_100000722334 [0,2,0,0,0,0|0,1,0]=3 8210 B11R1.180 CCCNCc1sccc1Cl 34a_100011934584_100000210303 [0,2,0,0,0,0|0,1,0]=3 8211 B11R1.180 CCCNCc1scnc1C 207a_100020643023_100000764165 [0,2,0,0,0,0|1,1,0]=4 8212 B11R1.180 CCCNCc1scnc1C 2230a_100000752186_100000210303 [0,2,0,0,0,0|1,1,0]=4 8213 B11R1.180 CCCOCc1ccnn1C 34a_100000210258_100000691648 [0,2,0,0,0,0|2,0,0]=4 8214 B11R1.180 CCCOCc1ccnn1C 34a_100000684702_100000210303 [0,2,0,0,0,0|2,0,0]=4 8215 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [0,2,0,0,0,0|2,0,0]=4 8216 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [0,2,0,0,0,0|2,0,0]=4 8217 B11R1.180 CCCOCc1ccsc1Br 34a_100000210258_100009814289 [0,2,0,0,0,0|2,0,0]=4 8218 B11R1.180 CCCOCc1ccsc1Br 34a_100009816922_100000210303 [0,2,0,0,0,0|2,0,0]=4 8219 B11R1.180 CCCOCc1ccsc1Br 7a_100009816922_100000210303 [0,2,0,0,0,0|2,0,0]=4 8220 B11R1.180 CCCOCc1ccsc1Cl 34a_100000210258_100010167017 [0,2,0,0,0,0|2,0,0]=4 8221 B11R1.180 CCCOCc1cscc1Br 34a_100000724555_100000210303 [0,2,0,0,0,0|2,0,0]=4 8222 B11R1.180 CCCOCc1nccn1C 34a_100000210258_100000700302 [0,2,0,0,0,0|2,0,0]=4 8223 B11R1.180 CCCOCc1nccn1C 7a_100000691215_100000210303 [0,2,0,0,0,0|2,0,0]=4 8224 B11R1.180 CCCOCc1ncoc1C 34a_100000210258_200000693990 [0,2,0,0,0,0|2,0,0]=4 8225 B11R1.180 CCCOCc1ncoc1C 34a_100012017639_100000210303 [0,2,0,0,0,0|2,0,0]=4 8226 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [0,2,0,0,0,0|0,0,0]=2 8227 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [0,2,0,0,0,0|0,0,0]=2 8228 B11R1.180 CCCOCc1ocnc1C 34a_100000717716_100000210303 [0,2,0,0,0,0|1,0,0]=3 8229 B11R1.180 CCCOCc1ocnc1C 7a_100000717716_100000210303 [0,2,0,0,0,0|1,0,0]=3 8230 B11R1.180 CCCOCc1oncc1C 34a_200011065769_100000210303 [0,2,0,0,0,0|1,0,0]=3 8231 B11R1.180 CCCOCc1sccc1Br 34a_100000702026_100000210303 [0,2,0,0,0,0|0,1,0]=3 8232 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [0,2,0,0,0,0|0,1,0]=3 8233 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [0,2,0,0,0,0|0,1,0]=3 8234 B11R1.180 CCCOCc1sccc1Cl 34a_100000722387_100000210303 [0,2,0,0,0,0|0,1,0]=3 8235 B11R1.180 CCCOCc1sccc1Cl 7a_100000722387_100000210303 [0,2,0,0,0,0|0,1,0]=3 8236 B11R1.180 CCCOCc1scnc1Br 7a_100012000948_100000210303 [0,2,0,0,0,0|1,1,0]=4 8237 B11R1.180 CCCOCc1scnc1C 34a_100000750112_100000210303 [0,2,0,0,0,0|1,1,0]=4 8238 B11R1.180 CCCOCc1scnc1C 7a_100000750112_100000210303 [0,2,0,0,0,0|1,1,0]=4 8239 B11R1.180 CCCSCc1ccnn1C 62a_100000210303_100000691648 [0,2,0,0,0,0|2,0,0]=4 8240 B11R1.180 CCCSCc1ccnn1C 62a_100000691648_100000210303 [0,2,0,0,0,0|2,0,0]=4 8241 B11R1.180 CCCSCc1ccsc1Br 62a_100000210303_100009814289 [0,2,0,0,0,0|2,0,0]=4 8242 B11R1.180 CCCSCc1ccsc1Br 62a_100009814289_100000210303 [0,2,0,0,0,0|2,0,0]=4 8243 B11R1.180 CCCSCc1ccsc1Cl 62a_100000210303_100010167017 [0,2,0,0,0,0|2,0,0]=4 8244 B11R1.180 CCCSCc1ccsc1Cl 62a_100010167017_100000210303 [0,2,0,0,0,0|2,0,0]=4 8245 B11R1.180 CCCSCc1nc[nH]c1C 62a_100000210303_100000751220 [0,2,0,0,0,0|2,0,0]=4 8246 B11R1.180 CCCSCc1nc[nH]c1C 62a_100000751220_100000210303 [0,2,0,0,0,0|2,0,0]=4 8247 B11R1.180 CCCSCc1nccn1C 62a_100000210303_100000700302 [0,2,0,0,0,0|2,0,0]=4 8248 B11R1.180 CCCSCc1nccn1C 62a_100000700302_100000210303 [0,2,0,0,0,0|2,0,0]=4 8249 B11R1.180 CCCSCc1ncoc1C 62a_100000210303_200000693990 [0,2,0,0,0,0|2,0,0]=4 8250 B11R1.180 CCCSCc1ncoc1C 62a_200000693990_100000210303 [0,2,0,0,0,0|2,0,0]=4 8251 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,2,0,0,0,0|1,0,0]=3 8252 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,2,0,0,0,0|1,0,0]=3 8253 B11R1.180 CCNCCc1scnc1C 2230a_100000238517_100000210202 [0,2,0,0,0,0|1,1,0]=4 8254 B11R1.180 CCNCCc1scnc1C 2230a_100015525214_100000057103 [0,2,0,0,0,0|1,1,0]=4 8255 B11R1.180 CCNCCc1scnc1C 34a_100000238517_100000210202 [0,2,0,0,0,0|1,1,0]=4 8256 B11R1.180 CCNCCn1nccc1C 2230a_100015525214_100011934269 [0,2,0,0,0,0|2,0,0]=4 8257 B11R1.180 CCNN=Cc1occc1Br 4a_100000756455_100000756499 [0,2,0,0,0,0|1,0,1]=4 8258 B11R1.180 CCNN=Cc1occc1C 4a_100000756455_100000763527 [0,2,0,0,0,0|1,0,1]=4 8259 B11R1.180 CCOCCc1scnc1C 34a_100000211055_100000210202 [0,2,0,0,0,0|1,1,0]=4 8260 B11R1.180 CCOCCc1scnc1C 34a_100121572206_100000057103 [0,2,0,0,0,0|1,1,0]=4 8261 B11R1.180 CCOCCc1scnc1C 7a_100000211055_100000210202 [0,2,0,0,0,0|1,1,0]=4 8262 B11R1.180 CCOCCn1nccc1N 34a_100000701086_100000210202 [0,2,0,0,0,0|2,0,0]=4 8263 B11R1.180 CCOCSc1sccc1Br 62a_100000739092_100012361411 [0,2,0,0,0,0|1,1,0]=4 8264 B11R1.180 CCOCSc1sccc1Br 62a_100012361411_100000739092 [0,2,0,0,0,0|1,1,0]=4 8265 B11R1.180 CCOCSc1sccc1C 62a_100000739092_100010247149 [0,2,0,0,0,0|1,1,0]=4 8266 B11R1.180 CCOCSc1sccc1C 62a_100010247149_100000739092 [0,2,0,0,0,0|1,1,0]=4 8267 B11R1.180 CCSCCc1scnc1C 62a_100000057103_100000210202 [0,2,0,0,0,0|1,1,0]=4 8268 B11R1.180 CCSCCc1scnc1C 62a_100000210202_100000057103 [0,2,0,0,0,0|1,1,0]=4 8269 B11R1.180 CCSCCn1nccc1C 62a_100000210202_100011934269 [0,2,0,0,0,0|2,0,0]=4 8270 B11R1.180 CCSCCn1nccc1C 62a_100011934269_100000210202 [0,2,0,0,0,0|2,0,0]=4 8271 B11R1.180 COCCSc1sccc1Br 62a_100000233755_100012361411 [0,2,0,0,0,0|1,1,0]=4 8272 B11R1.180 COCCSc1sccc1Br 62a_100012361411_100000233755 [0,2,0,0,0,0|1,1,0]=4 8273 B11R1.180 COCCSc1sccc1C 62a_100000233755_100010247149 [0,2,0,0,0,0|1,1,0]=4 8274 B11R1.180 COCCSc1sccc1C 62a_100010247149_100000233755 [0,2,0,0,0,0|1,1,0]=4 8275 B11R1.180 COCNCc1sccc1C 2230a_100000238519_100000766300 [0,2,0,0,0,0|1,1,0]=4 8276 B11R1.180 COCNCc1sccc1Cl 2230a_100011934584_100000766300 [0,2,0,0,0,0|1,1,0]=4 8277 B11R1.180 CSCCSc1sccc1Br 62a_100000212216_100012361411 [0,2,0,0,0,0|1,1,0]=4 8278 B11R1.180 CSCCSc1sccc1Br 62a_100012361411_100000751147 [0,2,0,0,0,0|1,1,0]=4 8279 B11R1.180 CSCCSc1sccc1C 62a_100000212216_100010247149 [0,2,0,0,0,0|1,1,0]=4 8280 B11R1.180 CSCCSc1sccc1C 62a_100010247149_100000751147 [0,2,0,0,0,0|1,1,0]=4 8281 B11R1.180 CSCNCc1cccn1C 34a_100011219357_100011218213 [0,2,0,0,0,0|2,0,0]=4 8282 B11R1.180 CSCNCc1sccc1C 2230a_100000238519_100011218213 [0,2,0,0,0,0|1,1,0]=4 8283 B11R1.180 CSCNCc1sccc1C 34a_100000238519_100011218213 [0,2,0,0,0,0|1,1,0]=4 8284 B11R1.180 CSCNCc1sccc1Cl 2230a_100011934584_100011218213 [0,2,0,0,0,0|1,1,0]=4 8285 B11R1.180 CSCNCc1sccc1Cl 34a_100011934584_100011218213 [0,2,0,0,0,0|1,1,0]=4 8286 B11R1.180 CSCOCc1occc1C 34a_100011273948_100011218213 [0,2,0,0,0,0|1,0,0]=3 8287 B11R1.180 CSCOCc1ocnc1C 34a_100000717716_100011218213 [0,2,0,0,0,0|2,0,0]=4 8288 B11R1.180 CSCOCc1oncc1C 34a_200011065769_100011218213 [0,2,0,0,0,0|2,0,0]=4 8289 B11R1.180 CSCOCc1sccc1Br 34a_100000702026_100011218213 [0,2,0,0,0,0|1,1,0]=4 8290 B11R1.180 CSCOCc1sccc1C 34a_100000238368_100011218213 [0,2,0,0,0,0|1,1,0]=4 8291 B11R1.180 CSCOCc1sccc1Cl 34a_100000722387_100011218213 [0,2,0,0,0,0|1,1,0]=4 8292 B11R1.180 Cc1ccoc1CNCCO 207a_100000210304_100000763527 [0,2,0,0,0,0|1,0,0]=3 8293 B11R1.180 Cc1ccoc1CNCCO 270004a_100000210304_100000763527 [0,2,0,0,0,0|1,0,0]=3 8294 B11R1.180 Cc1ccoc1COCC#N 7a_100011273948_100011215382 [0,2,0,0,0,0|1,0,1]=4 8295 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [0,2,0,0,0,0|1,0,1]=4 8296 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [0,2,0,0,0,0|1,0,1]=4 8297 B11R1.180 Cc1ccoc1COCCF 34a_100011273948_100011217306 [0,2,0,0,0,0|1,0,0]=3 8298 B11R1.180 Cc1ccoc1COCCF 7a_100011273948_100011217306 [0,2,0,0,0,0|1,0,0]=3 8299 B11R1.180 Cc1ccoc1COCCO 34a_100011273948_100000211926 [0,2,0,0,0,0|1,0,0]=3 8300 B11R1.180 Cc1ccoc1COCCO 7a_100011273948_100000211926 [0,2,0,0,0,0|1,0,0]=3 8301 B11R1.180 Cc1ccsc1CNCCF 2230a_100000238519_100011217306 [0,2,0,0,0,0|1,1,0]=4 8302 B11R1.180 Cc1ccsc1CNCCF 34a_100000238519_100011217306 [0,2,0,0,0,0|1,1,0]=4 8303 B11R1.180 Cc1ccsc1CNCCO 207a_100000210304_100000210881 [0,2,0,0,0,0|1,1,0]=4 8304 B11R1.180 Cc1ccsc1CNCCO 2230a_100000238519_100000211926 [0,2,0,0,0,0|1,1,0]=4 8305 B11R1.180 Cc1ccsc1CNCCO 270004a_100000210304_100000210881 [0,2,0,0,0,0|1,1,0]=4 8306 B11R1.180 Cc1ccsc1CNCCO 34a_100000238519_100000211926 [0,2,0,0,0,0|1,1,0]=4 8307 B11R1.180 Cc1ccsc1COCCF 34a_100000238368_100011217306 [0,2,0,0,0,0|1,1,0]=4 8308 B11R1.180 Cc1ccsc1COCCF 7a_100000238368_100011217306 [0,2,0,0,0,0|1,1,0]=4 8309 B11R1.180 Cc1ccsc1COCCO 34a_100000238368_100000211926 [0,2,0,0,0,0|1,1,0]=4 8310 B11R1.180 Cc1ccsc1COCCO 7a_100000238368_100000211926 [0,2,0,0,0,0|1,1,0]=4 8311 B11R1.180 Cc1ccsc1SCCCF 62a_100010247149_100011934791 [0,2,0,0,0,0|1,1,0]=4 8312 B11R1.180 Cc1ccsc1SCCCF 62a_100011934791_100010247149 [0,2,0,0,0,0|1,1,0]=4 8313 B11R1.180 Cc1ccsc1SCCCO 62a_100010247149_100011215043 [0,2,0,0,0,0|1,1,0]=4 8314 B11R1.180 Cc1ccsc1SCCCO 62a_100011215043_100010247149 [0,2,0,0,0,0|1,1,0]=4 8315 B11R1.180 Cc1cnoc1COCCF 34a_200011065769_100011217306 [0,2,0,0,0,0|2,0,0]=4 8316 B11R1.180 Cc1cnoc1COCCO 34a_200011065769_100000211926 [0,2,0,0,0,0|2,0,0]=4 8317 B11R1.180 Cc1ncoc1COCCF 34a_100000717716_100011217306 [0,2,0,0,0,0|2,0,0]=4 8318 B11R1.180 Cc1ncoc1COCCF 7a_100000717716_100011217306 [0,2,0,0,0,0|2,0,0]=4 8319 B11R1.180 Cc1ncoc1COCCO 34a_100000717716_100000211926 [0,2,0,0,0,0|2,0,0]=4 8320 B11R1.180 Cc1ncoc1COCCO 7a_100000717716_100000211926 [0,2,0,0,0,0|2,0,0]=4 8321 B11R1.180 Cn1cccc1CCNCF 34a_100011251756_100015361967 [0,2,0,0,0,0|2,0,0]=4 8322 B11R1.180 Cn1cccc1CNCCF 34a_100011219357_100011217306 [0,2,0,0,0,0|2,0,0]=4 8323 B11R1.180 Cn1cccc1CNCCO 270004a_100000210304_100000211633 [0,2,0,0,0,0|2,0,0]=4 8324 B11R1.180 Cn1cccc1CNCCO 34a_100011219357_100000211926 [0,2,0,0,0,0|2,0,0]=4 8325 B11R1.180 FCCCSc1sccc1Br 62a_100011934791_100012361411 [0,2,0,0,0,0|1,1,0]=4 8326 B11R1.180 FCCCSc1sccc1Br 62a_100012361411_100011934791 [0,2,0,0,0,0|1,1,0]=4 8327 B11R1.180 FCCNCc1sccc1Cl 2230a_100011934584_100011217306 [0,2,0,0,0,0|1,1,0]=4 8328 B11R1.180 FCCNCc1sccc1Cl 34a_100011934584_100011217306 [0,2,0,0,0,0|1,1,0]=4 8329 B11R1.180 FCCOCc1sccc1Br 34a_100000702026_100011217306 [0,2,0,0,0,0|1,1,0]=4 8330 B11R1.180 FCCOCc1sccc1Cl 34a_100000722387_100011217306 [0,2,0,0,0,0|1,1,0]=4 8331 B11R1.180 FCCOCc1sccc1Cl 7a_100000722387_100011217306 [0,2,0,0,0,0|1,1,0]=4 8332 B11R1.180 OCCCSc1sccc1Br 62a_100011215043_100012361411 [0,2,0,0,0,0|1,1,0]=4 8333 B11R1.180 OCCCSc1sccc1Br 62a_100012361411_100011215043 [0,2,0,0,0,0|1,1,0]=4 8334 B11R1.180 OCCNCc1occc1Br 270004a_100000210304_100000756499 [0,2,0,0,0,0|1,0,0]=3 8335 B11R1.180 OCCNCc1sccc1Br 207a_100000210304_100000766043 [0,2,0,0,0,0|1,1,0]=4 8336 B11R1.180 OCCNCc1sccc1Br 270004a_100000210304_100000766043 [0,2,0,0,0,0|1,1,0]=4 8337 B11R1.180 OCCNCc1sccc1Cl 207a_100000210304_100000722334 [0,2,0,0,0,0|1,1,0]=4 8338 B11R1.180 OCCNCc1sccc1Cl 2230a_100011934584_100000211926 [0,2,0,0,0,0|1,1,0]=4 8339 B11R1.180 OCCNCc1sccc1Cl 270004a_100000210304_100000722334 [0,2,0,0,0,0|1,1,0]=4 8340 B11R1.180 OCCNCc1sccc1Cl 34a_100011934584_100000211926 [0,2,0,0,0,0|1,1,0]=4 8341 B11R1.180 OCCOCc1sccc1Br 34a_100000702026_100000211926 [0,2,0,0,0,0|1,1,0]=4 8342 B11R1.180 OCCOCc1sccc1Cl 34a_100000722387_100000211926 [0,2,0,0,0,0|1,1,0]=4 8343 B11R1.180 OCCOCc1sccc1Cl 7a_100000722387_100000211926 [0,2,0,0,0,0|1,1,0]=4 8344 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,2,0,0,0,0|1,0,1]=4 8345 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,2,0,0,0,0|1,0,1]=4 8346 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,2,0,0,0,0|1,0,1]=4 8347 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,2,0,0,0,0|1,0,1]=4 8348 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,2,0,0,0,0|1,0,1]=4 8349 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,2,0,0,0,0|1,0,1]=4 8350 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,2,0,0,0,0|0,0,1]=3 8351 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,2,0,0,0,0|0,1,1]=4 8352 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [0,2,0,0,0,0|1,0,1]=4 8353 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [0,2,0,0,0,0|1,0,0]=3 8354 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [0,2,0,0,0,0|1,0,0]=3 8355 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [0,2,0,0,0,0|1,0,0]=3 8356 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000184426_100000210206 [0,2,0,0,0,0|1,1,0]=4 8357 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000200192_200000210301 [0,2,0,0,0,0|1,1,0]=4 8358 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000184426_100000210206 [0,2,0,0,0,0|1,1,0]=4 8359 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000200192_200000210301 [0,2,0,0,0,0|1,1,0]=4 8360 B11R1.35 CC(C)N(C)Cc1cccs1 270004a_200000211004_100000209959 [0,2,0,0,0,0|1,1,0]=4 8361 B11R1.35 CC(C)N(C)Cc1cnco1 270004a_200000211004_100000064291 [0,2,0,0,0,0|2,0,0]=4 8362 B11R1.35 CC(C)N(C)Cc1ncco1 269982a_200000211004_103436540062 [0,2,0,0,0,0|2,0,0]=4 8363 B11R1.35 CC(C)N(C)Cc1ncco1 270004a_200000211004_100000064290 [0,2,0,0,0,0|2,0,0]=4 8364 B11R1.35 CC(C)N([13CH3])Cc1cccs1 2230a_100000200192_200025704644 [0,2,0,0,0,0|1,1,0]=4 8365 B11R1.35 CC(C)N([13CH3])Cc1cccs1 269982a_100000200192_200025704644 [0,2,0,0,0,0|1,1,0]=4 8366 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,2,0,0,0,0|1,0,0]=3 8367 B11R1.35 CC(F)C(=O)Cc1ncco1 1458a_100000062450_103436540062 [0,2,0,0,0,0|1,0,1]=4 8368 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,2,0,0,0,0|1,0,1]=4 8369 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,2,0,0,0,0|1,0,1]=4 8370 B11R1.35 C[C@@H](O)C(=O)Cc1ncco1 1458a_100000717761_103436540062 [0,2,0,0,0,0|1,0,1]=4 8371 B11R1.35 C[C@H](O)C(=O)Cc1ncco1 1458a_217856618621_103436540062 [0,2,0,0,0,0|1,0,1]=4 8372 B11R1.84 CCC(CC)Sc1ccco1 62a_100000210505_100009814098 [0,2,0,0,0,0|1,0,0]=3 8373 B11R1.84 CCC(CC)Sc1ccco1 62a_100009814098_100000210505 [0,2,0,0,0,0|1,0,0]=3 8374 B11R1.84 CCC(CC)Sc1cccs1 62a_100000210505_100011215356 [0,2,0,0,0,0|1,1,0]=4 8375 B11R1.84 CCC(CC)Sc1cccs1 62a_100011215356_100000210505 [0,2,0,0,0,0|1,1,0]=4 8376 B11R1.84 CCC(CC)Sc1cnco1 62a_100000210505_100020591547 [0,2,0,0,0,0|2,0,0]=4 8377 B11R1.84 CCC(CC)Sc1cnco1 62a_100020591547_100000210505 [0,2,0,0,0,0|2,0,0]=4 8378 B11R1.84 CCC(CC)Sc1ncco1 62a_100000210505_100011787736 [0,2,0,0,0,0|2,0,0]=4 8379 B11R1.84 CCC(CC)Sc1ncco1 62a_100011787736_100000210505 [0,2,0,0,0,0|2,0,0]=4 8380 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,2,0,0,0,0|0,0,0]=2 8381 B11R1.84 CCN(CC)Cc1ccco1 2230a_100000739255_100000210202 [0,2,0,0,0,0|1,0,0]=3 8382 B11R1.84 CCN(CC)Cc1ccco1 269982a_100000739255_100000204670 [0,2,0,0,0,0|1,0,0]=3 8383 B11R1.84 CCN(CC)Cc1ccco1 270004a_100000724800_100000186105 [0,2,0,0,0,0|1,0,0]=3 8384 B11R1.84 CCN(CC)Cc1cccs1 2230a_100025770963_100000210202 [0,2,0,0,0,0|1,1,0]=4 8385 B11R1.84 CCN(CC)Cc1cccs1 269982a_100025770963_100000204670 [0,2,0,0,0,0|1,1,0]=4 8386 B11R1.84 CCN(CC)Cc1cccs1 270004a_100000724800_100000209959 [0,2,0,0,0,0|1,1,0]=4 8387 B11R1.84 CCN(CC)Cc1cnco1 270004a_100000724800_100000064291 [0,2,0,0,0,0|2,0,0]=4 8388 B11R1.84 CCN(CC)Cc1ncco1 2230a_100000724800_103436540062 [0,2,0,0,0,0|2,0,0]=4 8389 B11R1.84 CCN(CC)Cc1ncco1 269956a_100000042499_103436540062 [0,2,0,0,0,0|2,0,0]=4 8390 B11R1.84 CCN(CC)Cc1ncco1 269982a_100000724800_103436540062 [0,2,0,0,0,0|2,0,0]=4 8391 B11R1.84 CCN(CC)Cc1ncco1 270004a_100000724800_100000064290 [0,2,0,0,0,0|2,0,0]=4 8392 B11R1.84 CCN(CF)Cc1ccco1 269982a_100000739255_100015361967 [0,2,0,0,0,0|1,0,0]=3 8393 B11R1.84 CCN(CF)Cc1cccs1 269982a_100025770963_100015361967 [0,2,0,0,0,0|1,1,0]=4 8394 B11R1.136 CCC(C)(C)Sc1ccco1 62a_100000032637_100009814098 [0,2,0,0,0,0|1,0,0]=3 8395 B11R1.136 CCC(C)(C)Sc1ccco1 62a_100009814098_100000032637 [0,2,0,0,0,0|1,0,0]=3 8396 B11R1.136 CCC(C)(C)Sc1cccs1 62a_100000032637_100011215356 [0,2,0,0,0,0|1,1,0]=4 8397 B11R1.136 CCC(C)(C)Sc1cccs1 62a_100011215356_100000032637 [0,2,0,0,0,0|1,1,0]=4 8398 B11R1.136 CCC(C)(C)Sc1cnco1 62a_100000032637_100020591547 [0,2,0,0,0,0|2,0,0]=4 8399 B11R1.136 CCC(C)(C)Sc1cnco1 62a_100020591547_100000032637 [0,2,0,0,0,0|2,0,0]=4 8400 B11R1.136 CCC(C)(C)Sc1ncco1 62a_100000032637_100011787736 [0,2,0,0,0,0|2,0,0]=4 8401 B11R1.136 CCC(C)(C)Sc1ncco1 62a_100011787736_100000032637 [0,2,0,0,0,0|2,0,0]=4 8402 B11R1.136 OCC(F)(F)Sc1ccco1 62a_100009814098_100011217949 [0,2,0,0,0,0|2,0,0]=4 8403 B11R1.136 OCC(F)(F)Sc1ccco1 62a_100011217949_100009814098 [0,2,0,0,0,0|2,0,0]=4 8404 B11R1.228 CCC(C)Sc1sccc1Br 62a_100000758301_100012361411 [0,2,0,0,0,0|1,1,0]=4 8405 B11R1.228 CCC(C)Sc1sccc1Br 62a_100012361411_100000758301 [0,2,0,0,0,0|1,1,0]=4 8406 B11R1.228 CCC(C)Sc1sccc1C 62a_100000758301_100010247149 [0,2,0,0,0,0|1,1,0]=4 8407 B11R1.228 CCC(C)Sc1sccc1C 62a_100010247149_100000758301 [0,2,0,0,0,0|1,1,0]=4 8408 B11R1.228 CCN(C)Cc1cccn1C 2230a_100000188278_100000210202 [0,2,0,0,0,0|2,0,0]=4 8409 B11R1.228 CCN(C)Cc1cccn1C 269982a_100000188278_100000204670 [0,2,0,0,0,0|2,0,0]=4 8410 B11R1.228 CCN(C)Cc1occc1C 2230a_100000734364_100000210202 [0,2,0,0,0,0|1,0,0]=3 8411 B11R1.228 CCN(C)Cc1occc1C 269982a_100000734364_100000204670 [0,2,0,0,0,0|1,0,0]=3 8412 B11R1.228 CCN(C)Cc1sccc1Br 2230a_100000767120_100000210202 [0,2,0,0,0,0|1,1,0]=4 8413 B11R1.228 CCN(C)Cc1sccc1Br 269982a_100000767120_100000204670 [0,2,0,0,0,0|1,1,0]=4 8414 B11R1.228 CCN(C)Cc1sccc1C 2230a_100000695154_100000210202 [0,2,0,0,0,0|1,1,0]=4 8415 B11R1.228 CCN(C)Cc1sccc1C 269982a_100000695154_100000204670 [0,2,0,0,0,0|1,1,0]=4 8416 B11R1.228 Cc1ccoc1CN(C)CF 269982a_100000734364_100015361967 [0,2,0,0,0,0|2,0,0]=4 8417 B11R1.18 C=Cc1ccnn1CCCC 271570a_100011290941_200010264484 [0,2,0,0,0,0|2,0,0]=4 8418 B11R1.18 C=Cc1sccc1CCCC 271570a_100011290941_100010071534 [0,2,0,0,0,0|2,0,0]=4 8419 B11R1.18 CCCCc1[nH]ncc1C#N 271570a_100020621405_100010888374 [0,2,0,0,0,0|2,0,0]=4 8420 B11R1.18 CCCCc1ccnn1CC 271570a_100020621405_100000728327 [0,2,0,0,0,0|2,0,0]=4 8421 B11R1.18 CCCCc1ccoc1C=O 271570a_100020621405_100000756499 [0,2,0,0,0,0|2,0,0]=4 8422 B11R1.18 CCCCc1ccsc1C#N 271570a_100020621405_100011215142 [0,2,0,0,0,0|2,0,0]=4 8423 B11R1.18 CCCCc1ccsc1C=O 271570a_100020621405_100000766043 [0,2,0,0,0,0|2,0,0]=4 8424 B11R1.18 CCCCc1ccsc1CO 271570a_100020621405_100000702026 [0,2,0,0,0,0|2,0,0]=4 8425 B11R1.18 CCCCc1ccsc1SC 271570a_100020621405_200010341309 [0,2,0,0,0,0|2,0,0]=4 8426 B11R1.18 CCCCc1ccsc1SC 62a_100010071534_200000210301 [0,2,0,0,0,0|2,0,0]=4 8427 B11R1.18 CCCCc1ccsc1SC 62a_200000210301_100010071534 [0,2,0,0,0,0|2,0,0]=4 8428 B11R1.18 CCCCc1ccsc1S[13CH3] 62a_100010071534_200025704644 [0,2,0,0,0,0|2,0,0]=4 8429 B11R1.18 CCCCc1ccsc1S[13CH3] 62a_200025704644_100010071534 [0,2,0,0,0,0|2,0,0]=4 8430 B11R1.18 CCCCc1cscc1C#N 271570a_100020621405_100011934119 [0,2,0,0,0,0|2,0,0]=4 8431 B11R1.18 CCCCc1cscc1C=O 271570a_100020621405_100000685484 [0,2,0,0,0,0|2,0,0]=4 8432 B11R1.18 CCCCc1cscc1CC 271570a_100020621405_100011068457 [0,2,0,0,0,0|2,0,0]=4 8433 B11R1.18 CCCCc1cscc1CO 271570a_100020621405_100000724555 [0,2,0,0,0,0|2,0,0]=4 8434 B11R1.18 CCCCc1nccn1CC 271570a_100020621405_100011617267 [0,2,0,0,0,0|2,0,0]=4 8435 B11R1.18 CCCCc1ncsc1CO 271570a_100020621405_100012000948 [0,2,0,0,0,0|2,0,0]=4 8436 B11R1.18 CCCCc1sccc1C#N 271570a_100020621405_100009817073 [0,2,0,0,0,0|0,1,0]=3 8437 B11R1.18 CCCCc1sccc1C=O 271570a_100020621405_100009816921 [0,2,0,0,0,0|0,1,0]=3 8438 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [0,2,0,0,0,0|0,1,0]=3 8439 B11R1.18 CCCCc1sccc1CN 271570a_100020621405_100000727803 [0,2,0,0,0,0|0,1,0]=3 8440 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [0,2,0,0,0,0|0,1,0]=3 8441 B11R1.18 CCCCn1nccc1SC 62a_200000210301_200010264484 [0,2,0,0,0,0|2,0,0]=4 8442 B11R1.18 CCCCn1nccc1SC 62a_200010264484_200000210301 [0,2,0,0,0,0|2,0,0]=4 8443 B11R1.18 CCCCn1nccc1S[13CH3] 62a_200010264484_200025704644 [0,2,0,0,0,0|2,0,0]=4 8444 B11R1.18 CCCCn1nccc1S[13CH3] 62a_200025704644_200010264484 [0,2,0,0,0,0|2,0,0]=4 8445 B11R1.18 CCCSc1sccc1C#N 62a_100000210303_100009817073 [0,2,0,0,0,0|1,1,0]=4 8446 B11R1.18 CCCSc1sccc1C=O 62a_100000210303_100009816921 [0,2,0,0,0,0|1,1,0]=4 8447 B11R1.18 CCCSc1sccc1C=O 62a_100009816921_100000210303 [0,2,0,0,0,0|1,1,0]=4 8448 B11R1.18 CCCSc1sccc1CC 62a_100000210303_200009875468 [0,2,0,0,0,0|1,1,0]=4 8449 B11R1.18 CCCSc1sccc1CC 62a_200009875468_100000210303 [0,2,0,0,0,0|1,1,0]=4 8450 B11R1.18 CCCSc1sccc1CN 62a_100000210303_100000727803 [0,2,0,0,0,0|1,1,0]=4 8451 B11R1.18 CCCSc1sccc1CN 62a_100000727803_100000210303 [0,2,0,0,0,0|1,1,0]=4 8452 B11R1.18 CCCSc1sccc1CO 62a_100000210303_100009816922 [0,2,0,0,0,0|1,1,0]=4 8453 B11R1.18 CCCSc1sccc1CO 62a_100009816922_100000210303 [0,2,0,0,0,0|1,1,0]=4 8454 B11R1.18 CCNCc1cccn1CC 2230a_103496549365_100000210202 [0,2,0,0,0,0|2,0,0]=4 8455 B11R1.18 CCNCc1cccn1CC 270004a_100015525214_100011302050 [0,2,0,0,0,0|2,0,0]=4 8456 B11R1.18 CCNCc1cccn1CC 34a_103496549365_100000210202 [0,2,0,0,0,0|2,0,0]=4 8457 B11R1.18 CCNCc1occc1OC 207a_100015525214_200009856553 [0,2,0,0,0,0|1,0,0]=3 8458 B11R1.18 CCNCc1occc1OC 270004a_100015525214_200009856553 [0,2,0,0,0,0|1,0,0]=3 8459 B11R1.18 CCNCc1sccc1OC 207a_100015525214_100000689126 [0,2,0,0,0,0|1,1,0]=4 8460 B11R1.18 CCNCc1sccc1OC 270004a_100015525214_100000689126 [0,2,0,0,0,0|1,1,0]=4 8461 B11R1.90 CC(C)CSc1sccc1Br 62a_100000210624_100012361411 [0,2,0,0,0,0|1,1,0]=4 8462 B11R1.90 CC(C)CSc1sccc1Br 62a_100012361411_100000210760 [0,2,0,0,0,0|1,1,0]=4 8463 B11R1.90 CC(C)NCc1cccn1C 34a_100011219357_100000210206 [0,2,0,0,0,0|2,0,0]=4 8464 B11R1.90 CC(C)NCc1sccc1Br 207a_100138425928_100000766043 [0,2,0,0,0,0|1,1,0]=4 8465 B11R1.90 CC(C)NCc1sccc1Cl 207a_100138425928_100000722334 [0,2,0,0,0,0|1,1,0]=4 8466 B11R1.90 CC(C)NCc1sccc1Cl 2230a_100011934584_100000210206 [0,2,0,0,0,0|1,1,0]=4 8467 B11R1.90 CC(C)NCc1sccc1Cl 34a_100011934584_100000210206 [0,2,0,0,0,0|1,1,0]=4 8468 B11R1.90 CC(C)OCc1sccc1Br 34a_100000702026_100000210206 [0,2,0,0,0,0|1,1,0]=4 8469 B11R1.90 CC(C)OCc1sccc1Cl 34a_100000722387_100000210206 [0,2,0,0,0,0|1,1,0]=4 8470 B11R1.90 CC(C)OCc1sccc1Cl 7a_100000722387_100000210206 [0,2,0,0,0,0|1,1,0]=4 8471 B11R1.90 CC(O)CSc1sccc1Br 62a_100011218427_100012361411 [0,2,0,0,0,0|1,1,0]=4 8472 B11R1.90 CC(O)CSc1sccc1Br 62a_100012361411_100011218427 [0,2,0,0,0,0|1,1,0]=4 8473 B11R1.90 C[C@@H](O)CSc1sccc1Br 62a_100009817552_100012361411 [0,2,0,0,0,0|1,1,0]=4 8474 B11R1.90 C[C@@H](O)CSc1sccc1Br 62a_100012361411_100009817552 [0,2,0,0,0,0|1,1,0]=4 8475 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,2,0,0,0,0|1,0,0]=3 8476 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,2,0,0,0,0|1,0,0]=3 8477 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,2,0,0,0,0|1,0,0]=3 8478 B11R1.90 Cc1ccsc1CNC(C)C 207a_100138425928_100000210881 [0,2,0,0,0,0|1,1,0]=4 8479 B11R1.90 Cc1ccsc1CNC(C)C 2230a_100000238519_100000210206 [0,2,0,0,0,0|1,1,0]=4 8480 B11R1.90 Cc1ccsc1CNC(C)C 34a_100000238519_100000210206 [0,2,0,0,0,0|1,1,0]=4 8481 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,2,0,0,0,0|1,1,0]=4 8482 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,2,0,0,0,0|1,1,0]=4 8483 B11R1.90 Cc1ccsc1SCC(C)C 62a_100000210624_100010247149 [0,2,0,0,0,0|1,1,0]=4 8484 B11R1.90 Cc1ccsc1SCC(C)C 62a_100010247149_100000210760 [0,2,0,0,0,0|1,1,0]=4 8485 B11R1.90 Cc1ccsc1SCC(C)O 62a_100010247149_100011218427 [0,2,0,0,0,0|1,1,0]=4 8486 B11R1.90 Cc1ccsc1SCC(C)O 62a_100011218427_100010247149 [0,2,0,0,0,0|1,1,0]=4 8487 B11R1.90 Cc1ccsc1SC[C@@H](C)O 62a_100009817552_100010247149 [0,2,0,0,0,0|1,1,0]=4 8488 B11R1.90 Cc1ccsc1SC[C@@H](C)O 62a_100010247149_100009817552 [0,2,0,0,0,0|1,1,0]=4 8489 B11R1.90 Cc1cnoc1COC(C)C 34a_200011065769_100000210206 [0,2,0,0,0,0|2,0,0]=4 8490 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,2,0,0,0,0|2,0,0]=4 8491 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,2,0,0,0,0|2,0,0]=4 8492 B11R1.510 CC(C)(C)C=Cc1ccco1 271570a_100102527731_100009814098 [0,2,0,0,0,0|0,0,2]=4 8493 B11R1.510 CC(C)(C)CSc1ccco1 62a_100009814098_100011219605 [0,2,0,0,0,0|1,0,0]=3 8494 B11R1.510 CC(C)(C)CSc1ccco1 62a_100011219605_100009814098 [0,2,0,0,0,0|1,0,0]=3 8495 B11R1.510 CC(C)(C)CSc1cccs1 62a_100011215356_100011219605 [0,2,0,0,0,0|1,1,0]=4 8496 B11R1.510 CC(C)(C)CSc1cccs1 62a_100011219605_100011215356 [0,2,0,0,0,0|1,1,0]=4 8497 B11R1.510 CC(C)(C)CSc1cnco1 62a_100011219605_100020591547 [0,2,0,0,0,0|2,0,0]=4 8498 B11R1.510 CC(C)(C)CSc1cnco1 62a_100020591547_100011219605 [0,2,0,0,0,0|2,0,0]=4 8499 B11R1.510 CC(C)(C)CSc1ncco1 62a_100011219605_100011787736 [0,2,0,0,0,0|2,0,0]=4 8500 B11R1.510 CC(C)(C)CSc1ncco1 62a_100011787736_100011219605 [0,2,0,0,0,0|2,0,0]=4 8501 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [0,2,0,0,0,0|1,0,0]=3 8502 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [0,2,0,0,0,0|1,0,0]=3 8503 B11R1.510 CC(C)(C)NCc1cccs1 207a_100000715429_100000209959 [0,2,0,0,0,0|1,1,0]=4 8504 B11R1.510 CC(C)(C)NCc1ncco1 2230a_100000715429_103436540062 [0,2,0,0,0,0|2,0,0]=4 8505 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [0,2,0,0,0,0|1,0,0]=3 8506 B11R1.510 CC(C)(C)OCc1cccs1 34a_100000211240_100000210625 [0,2,0,0,0,0|1,1,0]=4 8507 B11R1.510 CC(C)(C)OCc1ccno1 34a_100000740478_100000210625 [0,2,0,0,0,0|2,0,0]=4 8508 B11R1.510 CC(C)(C)OCc1ncco1 34a_100000062594_100000210625 [0,2,0,0,0,0|2,0,0]=4 8509 B11R1.510 CC(C)(C)OCc1ncco1 34a_100015890283_103436540062 [0,2,0,0,0,0|2,0,0]=4 8510 B11R1.510 CC(C)(C)OCc1ncco1 7a_100015890283_103436540062 [0,2,0,0,0,0|2,0,0]=4 8511 B11R1.510 CC(C)(C)SCc1ncco1 62a_100000211941_103436540062 [0,2,0,0,0,0|2,0,0]=4 8512 B11R1.510 CC(C)(C)SCc1ncco1 62a_103436540062_100000211941 [0,2,0,0,0,0|2,0,0]=4 8513 B11R1.510 CC(C)(F)CSc1ccco1 62a_100009814098_100011997219 [0,2,0,0,0,0|1,0,0]=3 8514 B11R1.510 CC(C)(F)CSc1ccco1 62a_100011997219_100009814098 [0,2,0,0,0,0|1,0,0]=3 8515 B11R1.510 CC(C)(F)CSc1cccs1 62a_100011215356_100011997219 [0,2,0,0,0,0|1,1,0]=4 8516 B11R1.510 CC(C)(F)CSc1cccs1 62a_100011997219_100011215356 [0,2,0,0,0,0|1,1,0]=4 8517 B11R1.510 CC(C)(F)CSc1cnco1 62a_100011997219_100020591547 [0,2,0,0,0,0|2,0,0]=4 8518 B11R1.510 CC(C)(F)CSc1cnco1 62a_100020591547_100011997219 [0,2,0,0,0,0|2,0,0]=4 8519 B11R1.510 CC(C)(F)CSc1ncco1 62a_100011787736_100011997219 [0,2,0,0,0,0|2,0,0]=4 8520 B11R1.510 CC(C)(F)CSc1ncco1 62a_100011997219_100011787736 [0,2,0,0,0,0|2,0,0]=4 8521 B11R1.510 CC(C)(O)C=Cc1ccco1 271570a_200016258132_100009814098 [0,2,0,0,0,0|0,0,2]=4 8522 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,2,0,0,0,0|1,0,0]=3 8523 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,2,0,0,0,0|1,0,0]=3 8524 B11R1.510 CC(C)(O)CSc1cccs1 62a_100000764493_100011215356 [0,2,0,0,0,0|1,1,0]=4 8525 B11R1.510 CC(C)(O)CSc1cccs1 62a_100011215356_100000764493 [0,2,0,0,0,0|1,1,0]=4 8526 B11R1.510 CC(C)(O)CSc1cnco1 62a_100000764493_100020591547 [0,2,0,0,0,0|2,0,0]=4 8527 B11R1.510 CC(C)(O)CSc1cnco1 62a_100020591547_100000764493 [0,2,0,0,0,0|2,0,0]=4 8528 B11R1.510 CC(C)(O)CSc1ncco1 62a_100000764493_100011787736 [0,2,0,0,0,0|2,0,0]=4 8529 B11R1.510 CC(C)(O)CSc1ncco1 62a_100011787736_100000764493 [0,2,0,0,0,0|2,0,0]=4 8530 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,2,0,0,0,0|2,0,0]=4 8531 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_100009814098_200000036245 [0,2,0,0,0,0|2,0,0]=4 8532 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_200000036245_100009814098 [0,2,0,0,0,0|2,0,0]=4 8533 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100000037933_100009814098 [0,2,0,0,0,0|1,1,0]=4 8534 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100009814098_100000037933 [0,2,0,0,0,0|1,1,0]=4 8535 B11R1.510 FC(F)(F)CSc1ccco1 62a_100000763148_100009814098 [0,2,0,0,0,0|2,0,0]=4 8536 B11R1.510 FC(F)(F)CSc1ccco1 62a_100009814098_100000763148 [0,2,0,0,0,0|2,0,0]=4 8537 B11R1.510 FC(F)(F)NCc1ccco1 34a_100000185738_200103152311 [0,2,0,0,0,0|2,0,0]=4 8538 B11R1.510 FC(F)(F)OCc1ccco1 34a_100000210059_200103152311 [0,2,0,0,0,0|2,0,0]=4 8539 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,0,1,1,0,0|0,0,2]=4 8540 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,0,1,1,0,0|1,0,1]=4 8541 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000210193_100000742324 [0,0,1,1,0,0|0,0,2]=4 8542 B9R1.75 C=CCC(=O)CC1CC1 1458a_100000738066_100000210623 [0,0,1,1,0,0|0,0,2]=4 8543 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [0,0,1,1,0,0|0,0,2]=4 8544 B9R1.75 O=C(C=CBr)CC1CC1 1458a_100016273825_100000742324 [0,0,1,1,0,0|1,0,1]=4 8545 B9R1.75 O=C(C=CCl)CC1CC1 1458a_200016279998_100000742324 [0,0,1,1,0,0|1,0,1]=4 8546 B9R1.75 O=C(C=CI)CC1CC1 1458a_100016256311_100000742324 [0,0,1,1,0,0|1,0,1]=4 8547 B9R1.183 C=CCC(=O)C1CC1C 1458a_100000211227_100000210623 [0,0,1,1,0,0|0,0,2]=4 8548 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,0,1,1,0,0|0,0,2]=4 8549 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,0,1,1,0,0|0,0,2]=4 8550 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,0,1,1,0,0|0,0,2]=4 8551 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,0,1,1,0,0|0,0,2]=4 8552 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,0,1,1,0,0|0,0,2]=4 8553 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [1,0,0,1,0,0|2,0,0]=4 8554 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [1,0,0,1,0,0|2,0,0]=4 8555 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [1,0,0,1,0,0|2,0,0]=4 8556 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [1,0,0,1,0,0|2,0,0]=4 8557 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [1,0,0,1,0,0|2,0,0]=4 8558 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|0,0,0]=2 8559 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [1,0,0,1,0,0|1,0,0]=3 8560 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [1,0,0,1,0,0|0,1,0]=3 8561 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [1,0,0,1,0,0|1,1,0]=4 8562 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [1,0,0,1,0,0|2,0,0]=4 8563 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [1,0,0,1,0,0|2,0,0]=4 8564 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [1,0,0,1,0,0|1,0,0]=3 8565 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [1,0,0,1,0,0|1,1,0]=4 8566 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,1|2,0,0]=4 8567 B11R2.238 c1cc(ccn1)SC2CC2 62a_100000728582_100000211595 [0,0,0,1,0,1|2,0,0]=4 8568 B11R2.238 c1cc(ncn1)NC2CC2 27a_100000212008_100000703185 [0,0,0,1,0,1|2,0,0]=4 8569 B11R2.238 c1cc(ncn1)SC2CC2 62a_100000703185_100000211595 [0,0,0,1,0,1|2,0,0]=4 8570 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,1|2,0,0]=4 8571 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,1|2,0,0]=4 8572 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,1|2,0,0]=4 8573 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,0,1,0,1|2,0,0]=4 8574 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [0,0,0,1,0,1|2,0,0]=4 8575 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [0,0,0,1,0,1|2,0,0]=4 8576 B11R2.238 c1cnc(nc1)NC2CC2 27a_100000212008_100000211032 [0,0,0,1,0,1|2,0,0]=4 8577 B11R2.238 c1cnc(nc1)SC2CC2 62a_100000211032_100000211595 [0,0,0,1,0,1|2,0,0]=4 8578 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,1|2,0,0]=4 8579 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [0,0,0,1,0,1|2,0,0]=4 8580 B11R2.238 c1cnnc(c1)NC2CC2 27a_100000212008_100016991348 [0,0,0,1,0,1|2,0,0]=4 8581 B11R2.238 c1cnnc(c1)SC2CC2 62a_100016991348_100000211595 [0,0,0,1,0,1|2,0,0]=4 8582 B11R2.239 c1cc(ncn1)N2CCC2 27a_100000754969_100000703185 [0,0,0,1,0,1|2,0,0]=4 8583 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,0,0,1,0,1|2,0,0]=4 8584 B11R2.239 c1cnc(nc1)N2CCC2 27a_100000754969_100000211032 [0,0,0,1,0,1|2,0,0]=4 8585 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [0,0,0,1,0,1|2,0,0]=4 8586 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,1|2,0,0]=4 8587 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,1|2,0,0]=4 8588 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,1|2,0,0]=4 8589 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,1|2,0,0]=4 8590 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,1|2,0,0]=4 8591 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,1,0,1,0,0|0,0,1]=3 8592 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,1,0,1,0,0|0,1,1]=4 8593 B11R2.2 C1=C(CCC1)c2cnco2 271570a_100000089523_100020591547 [0,1,0,1,0,0|1,0,1]=4 8594 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,1,0,1,0,0|1,0,1]=4 8595 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,1,0,1,0,0|0,0,2]=4 8596 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,1,0,1,0,0|0,0,2]=4 8597 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [0,1,0,1,0,0|0,0,1]=3 8598 B11R2.1031 C=C(c1cccs1)C2CC2 271570a_100010895485_100011215356 [0,1,0,1,0,0|0,1,1]=4 8599 B11R2.1031 C=C(c1cnco1)C2CC2 271570a_100010895485_100020591547 [0,1,0,1,0,0|1,0,1]=4 8600 B11R2.1031 C=C(c1ncco1)C2CC2 271570a_100010895485_100011787736 [0,1,0,1,0,0|1,0,1]=4 8601 B11R2.10 Oc1cc2c(s1)CCCC2 271570a_203496583355_100010127270 [0,1,0,1,0,0|0,1,0]=3 8602 B11R2.10 Oc1cc2c(s1)CCNC2 271570a_203496583355_100025757484 [0,1,0,1,0,0|1,1,0]=4 8603 B11R2.33 Cc1noc(n1)C2CC2C 270196a_100000212224_100000211227 [0,1,0,1,0,0|2,0,0]=4 8604 B11R2.351 Brc1ccc(s1)SC2CC2 62a_100010197418_100000211595 [0,1,0,1,0,0|1,1,0]=4 8605 B11R2.351 Cc1ccc(s1)SC2CC2 62a_100000031368_100000211595 [0,1,0,1,0,0|1,1,0]=4 8606 B11R2.351 Cc1csc(c1)SC2CC2 62a_100009876951_100000211595 [0,1,0,1,0,0|1,1,0]=4 8607 B11R2.351 Cc1noc(n1)CC2CC2 270196a_100000212224_100000738066 [0,1,0,1,0,0|2,0,0]=4 8608 B11R2.351 Oc1cnn(c1)CC2CC2 271570a_203496583355_100011400275 [0,1,0,1,0,0|2,0,0]=4 8609 B11R2.352 Cc1noc(n1)C2CCC2 270196a_100000212224_100000209988 [0,1,0,1,0,0|2,0,0]=4 8610 B11R2.352 Oc1cnn(c1)C2CCC2 271570a_203496583355_100010281268 [0,1,0,1,0,0|2,0,0]=4 8611 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [0,1,0,1,0,0|0,1,0]=3 8612 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,1,0,1,0,0|2,0,0]=4 8613 B11R2.237 c1c[nH]c(n1)CN2CCC2 269982a_100000754969_100016991755 [0,1,0,1,0,0|2,0,0]=4 8614 B11R2.237 c1c[nH]c(n1)SC2CCC2 62a_100025796157_100000749161 [0,1,0,1,0,0|2,0,0]=4 8615 B11R2.237 c1cc([nH]n1)CN2CCC2 269982a_100000754969_100000728653 [0,1,0,1,0,0|2,0,0]=4 8616 B11R2.237 c1cc(co1)SC2CCC2 62a_100011215275_100000749161 [0,1,0,1,0,0|2,0,0]=4 8617 B11R2.237 c1cc(cs1)CN2CCC2 269982a_100000754969_100011233845 [0,1,0,1,0,0|2,0,0]=4 8618 B11R2.237 c1cc(cs1)OC2CCC2 34a_100000106738_100000749161 [0,1,0,1,0,0|2,0,0]=4 8619 B11R2.237 c1cc(cs1)SC2CCC2 62a_100000738268_100000749161 [0,1,0,1,0,0|2,0,0]=4 8620 B11R2.237 c1cc(n[nH]1)SC2CCC2 62a_100000062575_100000749161 [0,1,0,1,0,0|2,0,0]=4 8621 B11R2.237 c1cc(no1)CN2CCC2 269982a_100000754969_100000234950 [0,1,0,1,0,0|2,0,0]=4 8622 B11R2.237 c1cc(no1)SC2CCC2 62a_100009818083_100000749161 [0,1,0,1,0,0|2,0,0]=4 8623 B11R2.237 c1cc(ns1)SC2CCC2 62a_100009818082_100000749161 [0,1,0,1,0,0|2,0,0]=4 8624 B11R2.237 c1coc(c1)SC2CCC2 62a_100009814098_100000749161 [0,1,0,1,0,0|0,0,0]=2 8625 B11R2.237 c1coc(c1)SC2COC2 62a_100009814098_100009818527 [0,1,0,1,0,0|1,0,0]=3 8626 B11R2.237 c1coc(n1)CN2CCC2 269982a_100000754969_103436540062 [0,1,0,1,0,0|1,0,0]=3 8627 B11R2.237 c1coc(n1)SC2CCC2 62a_100011787736_100000749161 [0,1,0,1,0,0|1,0,0]=3 8628 B11R2.237 c1coc(n1)SC2COC2 62a_100011787736_100009818527 [0,1,0,1,0,0|2,0,0]=4 8629 B11R2.237 c1csc(c1)SC2CCC2 62a_100011215356_100000749161 [0,1,0,1,0,0|0,1,0]=3 8630 B11R2.237 c1csc(c1)SC2COC2 62a_100011215356_100009818527 [0,1,0,1,0,0|1,1,0]=4 8631 B11R2.237 c1csc(n1)CN2CCC2 269982a_100000754969_100015184050 [0,1,0,1,0,0|1,1,0]=4 8632 B11R2.237 c1csc(n1)SC2CCC2 62a_100000211983_100000749161 [0,1,0,1,0,0|1,1,0]=4 8633 B11R2.237 c1nc(c[nH]1)CN2CCC2 269982a_100000754969_100000707719 [0,1,0,1,0,0|2,0,0]=4 8634 B11R2.237 c1nc(c[nH]1)SC2CCC2 62a_100000756875_100000749161 [0,1,0,1,0,0|2,0,0]=4 8635 B11R2.237 c1nc(cs1)CN2CCC2 269982a_100000754969_100000205941 [0,1,0,1,0,0|2,0,0]=4 8636 B11R2.237 c1nc(cs1)SC2CCC2 62a_100000751502_100000749161 [0,1,0,1,0,0|2,0,0]=4 8637 B11R2.237 c1ncc(o1)SC2CCC2 62a_100020591547_100000749161 [0,1,0,1,0,0|1,0,0]=3 8638 B11R2.237 c1ncc(o1)SC2COC2 62a_100020591547_100009818527 [0,1,0,1,0,0|2,0,0]=4 8639 B11R2.237 c1ncc(s1)CN2CCC2 269982a_100000754969_100015185245 [0,1,0,1,0,0|1,1,0]=4 8640 B11R2.237 c1ncc(s1)SC2CCC2 62a_100011934649_100000749161 [0,1,0,1,0,0|1,1,0]=4 8641 B11R2.385 C(#CC1CC1)c2ccco2 271570a_200009880635_100009814098 [0,1,0,1,0,0|0,0,1]=3 8642 B11R2.385 C(#CC1CC1)c2cccs2 271570a_200009880635_100011215356 [0,1,0,1,0,0|0,1,1]=4 8643 B11R2.385 C(#CC1CC1)c2cnco2 271570a_200009880635_100020591547 [0,1,0,1,0,0|1,0,1]=4 8644 B11R2.385 C(#CC1CC1)c2ncco2 271570a_200009880635_100011787736 [0,1,0,1,0,0|1,0,1]=4 8645 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [0,1,0,1,0,0|0,0,1]=3 8646 B11R2.385 C(=CC1CC1)c2cccs2 271570a_100102526188_100011215356 [0,1,0,1,0,0|0,1,1]=4 8647 B11R2.385 C(=CC1CC1)c2cnco2 271570a_100102526188_100020591547 [0,1,0,1,0,0|1,0,1]=4 8648 B11R2.385 C(=CC1CC1)c2ncco2 271570a_100102526188_100011787736 [0,1,0,1,0,0|1,0,1]=4 8649 B11R2.385 c1c[nH]c(n1)CNC2CC2 34a_100000212008_100016991755 [0,1,0,1,0,0|2,0,0]=4 8650 B11R2.385 c1c[nH]c(n1)CSC2CC2 62a_100016991755_100000211595 [0,1,0,1,0,0|2,0,0]=4 8651 B11R2.385 c1c[nH]c(n1)SCC2CC2 62a_100000756562_100025796157 [0,1,0,1,0,0|2,0,0]=4 8652 B11R2.385 c1c[nH]c(n1)SCC2CC2 62a_100025796157_100000742324 [0,1,0,1,0,0|2,0,0]=4 8653 B11R2.385 c1cc([nH]n1)CNC2CC2 34a_100000212008_100000728653 [0,1,0,1,0,0|2,0,0]=4 8654 B11R2.385 c1cc([nH]n1)CSC2CC2 62a_100000728653_100000211595 [0,1,0,1,0,0|2,0,0]=4 8655 B11R2.385 c1cc(co1)CNC2CC2 34a_100015206860_100000211595 [0,1,0,1,0,0|2,0,0]=4 8656 B11R2.385 c1cc(co1)COC2CC2 34a_100011215357_100000211595 [0,1,0,1,0,0|2,0,0]=4 8657 B11R2.385 c1cc(co1)SCC2CC2 62a_100000756562_100011215275 [0,1,0,1,0,0|2,0,0]=4 8658 B11R2.385 c1cc(co1)SCC2CC2 62a_100011215275_100000742324 [0,1,0,1,0,0|2,0,0]=4 8659 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000186416_100000211595 [0,1,0,1,0,0|2,0,0]=4 8660 B11R2.385 c1cc(cs1)CNC2CC2 34a_100000212008_100011261437 [0,1,0,1,0,0|2,0,0]=4 8661 B11R2.385 c1cc(cs1)COC2CC2 34a_100011215551_100000211595 [0,1,0,1,0,0|2,0,0]=4 8662 B11R2.385 c1cc(cs1)CSC2CC2 62a_100011261437_100000211595 [0,1,0,1,0,0|2,0,0]=4 8663 B11R2.385 c1cc(cs1)OCC2CC2 34a_100000106738_100000742324 [0,1,0,1,0,0|2,0,0]=4 8664 B11R2.385 c1cc(cs1)OCC2CC2 7a_100000106738_100000742324 [0,1,0,1,0,0|2,0,0]=4 8665 B11R2.385 c1cc(cs1)SCC2CC2 62a_100000738268_100000742324 [0,1,0,1,0,0|2,0,0]=4 8666 B11R2.385 c1cc(cs1)SCC2CC2 62a_100000756562_100000738268 [0,1,0,1,0,0|2,0,0]=4 8667 B11R2.385 c1cc(n[nH]1)SCC2CC2 62a_100000062575_100000742324 [0,1,0,1,0,0|2,0,0]=4 8668 B11R2.385 c1cc(n[nH]1)SCC2CC2 62a_100000756562_100000062575 [0,1,0,1,0,0|2,0,0]=4 8669 B11R2.385 c1cc(no1)CNC2CC2 34a_100000212008_100000234950 [0,1,0,1,0,0|2,0,0]=4 8670 B11R2.385 c1cc(no1)CSC2CC2 62a_100000234950_100000211595 [0,1,0,1,0,0|2,0,0]=4 8671 B11R2.385 c1cc(no1)SCC2CC2 62a_100000756562_100009818083 [0,1,0,1,0,0|2,0,0]=4 8672 B11R2.385 c1cc(no1)SCC2CC2 62a_100009818083_100000742324 [0,1,0,1,0,0|2,0,0]=4 8673 B11R2.385 c1cc(ns1)SCC2CC2 62a_100000756562_100009818082 [0,1,0,1,0,0|2,0,0]=4 8674 B11R2.385 c1cc(ns1)SCC2CC2 62a_100009818082_100000742324 [0,1,0,1,0,0|2,0,0]=4 8675 B11R2.385 c1cc(on1)COC2CC2 34a_100000740478_100000211595 [0,1,0,1,0,0|1,0,0]=3 8676 B11R2.385 c1cnn(c1)COC2CC2 34a_100000731028_100000211595 [0,1,0,1,0,0|2,0,0]=4 8677 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,1,0,1,0,0|0,0,0]=2 8678 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,1,0,1,0,0|0,0,0]=2 8679 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,1,0,1,0,0|0,0,0]=2 8680 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,1,0,1,0,0|0,0,0]=2 8681 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,1,0,1,0,0|1,0,0]=3 8682 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,1,0,1,0,0|1,0,0]=3 8683 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [0,1,0,1,0,0|1,0,0]=3 8684 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [0,1,0,1,0,0|1,0,0]=3 8685 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,1,0,1,0,0|1,0,0]=3 8686 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,1,0,1,0,0|1,0,0]=3 8687 B11R2.385 c1coc(n1)CNC2CC2 34a_100000212008_103436540062 [0,1,0,1,0,0|1,0,0]=3 8688 B11R2.385 c1coc(n1)COC2CC2 34a_100000062594_100000211595 [0,1,0,1,0,0|1,0,0]=3 8689 B11R2.385 c1coc(n1)CSC2CC2 62a_103436540062_100000211595 [0,1,0,1,0,0|1,0,0]=3 8690 B11R2.385 c1coc(n1)SCC2CC2 62a_100000756562_100011787736 [0,1,0,1,0,0|1,0,0]=3 8691 B11R2.385 c1coc(n1)SCC2CC2 62a_100011787736_100000742324 [0,1,0,1,0,0|1,0,0]=3 8692 B11R2.385 c1coc(n1)SCC2CO2 62a_100011787736_102125554688 [0,1,0,1,0,0|2,0,0]=4 8693 B11R2.385 c1coc(n1)SCC2CO2 62a_102125554688_100011787736 [0,1,0,1,0,0|2,0,0]=4 8694 B11R2.385 c1coc(n1)SCC2CS2 62a_100000031435_100011787736 [0,1,0,1,0,0|2,0,0]=4 8695 B11R2.385 c1coc(n1)SCC2CS2 62a_100011787736_100000031435 [0,1,0,1,0,0|2,0,0]=4 8696 B11R2.385 c1coc(n1)SC[C@@H]2CO2 62a_100000745022_100011787736 [0,1,0,1,0,0|2,0,0]=4 8697 B11R2.385 c1coc(n1)SC[C@@H]2CO2 62a_100011787736_100000745022 [0,1,0,1,0,0|2,0,0]=4 8698 B11R2.385 c1csc(c1)COC2CC2 34a_100000211240_100000211595 [0,1,0,1,0,0|0,1,0]=3 8699 B11R2.385 c1csc(c1)SCC2CC2 62a_100000756562_100011215356 [0,1,0,1,0,0|0,1,0]=3 8700 B11R2.385 c1csc(c1)SCC2CC2 62a_100011215356_100000742324 [0,1,0,1,0,0|0,1,0]=3 8701 B11R2.385 c1csc(c1)SCC2CO2 62a_100011215356_102125554688 [0,1,0,1,0,0|1,1,0]=4 8702 B11R2.385 c1csc(c1)SCC2CO2 62a_102125554688_100011215356 [0,1,0,1,0,0|1,1,0]=4 8703 B11R2.385 c1csc(c1)SCC2CS2 62a_100000031435_100011215356 [0,1,0,1,0,0|1,1,0]=4 8704 B11R2.385 c1csc(c1)SCC2CS2 62a_100011215356_100000031435 [0,1,0,1,0,0|1,1,0]=4 8705 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100000745022_100011215356 [0,1,0,1,0,0|1,1,0]=4 8706 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100011215356_100000745022 [0,1,0,1,0,0|1,1,0]=4 8707 B11R2.385 c1csc(n1)CNC2CC2 34a_100000212008_100015184050 [0,1,0,1,0,0|1,1,0]=4 8708 B11R2.385 c1csc(n1)CSC2CC2 62a_100015184050_100000211595 [0,1,0,1,0,0|1,1,0]=4 8709 B11R2.385 c1csc(n1)SCC2CC2 62a_100000211983_100000742324 [0,1,0,1,0,0|1,1,0]=4 8710 B11R2.385 c1csc(n1)SCC2CC2 62a_100000756562_100000211983 [0,1,0,1,0,0|1,1,0]=4 8711 B11R2.385 c1nc(c[nH]1)CNC2CC2 34a_100000212008_100000707719 [0,1,0,1,0,0|2,0,0]=4 8712 B11R2.385 c1nc(c[nH]1)CSC2CC2 62a_100000707719_100000211595 [0,1,0,1,0,0|2,0,0]=4 8713 B11R2.385 c1nc(c[nH]1)SCC2CC2 62a_100000756562_100000756875 [0,1,0,1,0,0|2,0,0]=4 8714 B11R2.385 c1nc(c[nH]1)SCC2CC2 62a_100000756875_100000742324 [0,1,0,1,0,0|2,0,0]=4 8715 B11R2.385 c1nc(cs1)CNC2CC2 34a_100000212008_100000205941 [0,1,0,1,0,0|2,0,0]=4 8716 B11R2.385 c1nc(cs1)CSC2CC2 62a_100000205941_100000211595 [0,1,0,1,0,0|2,0,0]=4 8717 B11R2.385 c1nc(cs1)SCC2CC2 62a_100000751502_100000742324 [0,1,0,1,0,0|2,0,0]=4 8718 B11R2.385 c1nc(cs1)SCC2CC2 62a_100000756562_100000751502 [0,1,0,1,0,0|2,0,0]=4 8719 B11R2.385 c1ncc(o1)SCC2CC2 62a_100000756562_100020591547 [0,1,0,1,0,0|1,0,0]=3 8720 B11R2.385 c1ncc(o1)SCC2CC2 62a_100020591547_100000742324 [0,1,0,1,0,0|1,0,0]=3 8721 B11R2.385 c1ncc(o1)SCC2CO2 62a_100020591547_102125554688 [0,1,0,1,0,0|2,0,0]=4 8722 B11R2.385 c1ncc(o1)SCC2CO2 62a_102125554688_100020591547 [0,1,0,1,0,0|2,0,0]=4 8723 B11R2.385 c1ncc(o1)SCC2CS2 62a_100000031435_100020591547 [0,1,0,1,0,0|2,0,0]=4 8724 B11R2.385 c1ncc(o1)SCC2CS2 62a_100020591547_100000031435 [0,1,0,1,0,0|2,0,0]=4 8725 B11R2.385 c1ncc(o1)SC[C@@H]2CO2 62a_100000745022_100020591547 [0,1,0,1,0,0|2,0,0]=4 8726 B11R2.385 c1ncc(o1)SC[C@@H]2CO2 62a_100020591547_100000745022 [0,1,0,1,0,0|2,0,0]=4 8727 B11R2.385 c1ncc(s1)CNC2CC2 34a_100000212008_100015185245 [0,1,0,1,0,0|1,1,0]=4 8728 B11R2.385 c1ncc(s1)CSC2CC2 62a_100015185245_100000211595 [0,1,0,1,0,0|1,1,0]=4 8729 B11R2.385 c1ncc(s1)SCC2CC2 62a_100000756562_100011934649 [0,1,0,1,0,0|1,1,0]=4 8730 B11R2.385 c1ncc(s1)SCC2CC2 62a_100011934649_100000742324 [0,1,0,1,0,0|1,1,0]=4 8731 B11R2.36 CN1CCc2ccsc2C1 2230a_100000694341_200000210301 [0,1,0,1,0,0|1,1,0]=4 8732 B11R2.36 CN1CCc2ccsc2C1 269982a_100000694341_200000210301 [0,1,0,1,0,0|1,1,0]=4 8733 B11R2.36 CN1CCc2ccsc2C1 34a_100000694341_200000210301 [0,1,0,1,0,0|1,1,0]=4 8734 B11R2.36 CN1CCc2sccc2C1 2230a_100015185043_200000210301 [0,1,0,1,0,0|1,1,0]=4 8735 B11R2.36 CN1CCc2sccc2C1 269982a_100015185043_200000210301 [0,1,0,1,0,0|1,1,0]=4 8736 B11R2.36 CN1CCc2sccc2C1 34a_100015185043_200000210301 [0,1,0,1,0,0|1,1,0]=4 8737 B11R2.36 [13CH3]N1CCc2ccsc2C1 2230a_100000694341_200025704644 [0,1,0,1,0,0|1,1,0]=4 8738 B11R2.36 [13CH3]N1CCc2ccsc2C1 269982a_100000694341_200025704644 [0,1,0,1,0,0|1,1,0]=4 8739 B11R2.36 [13CH3]N1CCc2ccsc2C1 34a_100000694341_200025704644 [0,1,0,1,0,0|1,1,0]=4 8740 B11R2.36 [13CH3]N1CCc2sccc2C1 2230a_100015185043_200025704644 [0,1,0,1,0,0|1,1,0]=4 8741 B11R2.36 [13CH3]N1CCc2sccc2C1 269982a_100015185043_200025704644 [0,1,0,1,0,0|1,1,0]=4 8742 B11R2.36 [13CH3]N1CCc2sccc2C1 34a_100015185043_200025704644 [0,1,0,1,0,0|1,1,0]=4 8743 B11R2.115 Brc1ccsc1SC2CC2 62a_100012361411_100000211595 [0,1,0,1,0,0|1,1,0]=4 8744 B11R2.115 Cc1ccsc1SC2CC2 62a_100010247149_100000211595 [0,1,0,1,0,0|1,1,0]=4