0 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,0,0|1,1,0]=2 8 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.12 CCCCc1ncns1 271570a_100020621405_100000693119 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.12 CCCCc1nncs1 271570a_100020621405_100000739804 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,0,0,0,0,0|2,1,0]=3 33 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,0,0,0,0,0|3,1,0]=4 52 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,0,0,0,0,0|3,1,0]=4 53 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,0,0|1,0,0]=1 59 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,0,0,0|1,1,0]=2 61 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,0,0,0|1,1,0]=2 62 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,0,0,0|1,1,0]=2 63 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.12 CCNCc1cn[nH]c1 207a_100015525214_100016992096 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.12 CCNCc1cn[nH]c1 270004a_100015525214_100016992096 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,0,0,0,0,0|2,0,0]=2 78 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,0,0,0,0,0|2,1,0]=3 79 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,0,0,0,0,0|2,1,0]=3 80 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,0,0,0,0,0|2,1,0]=3 81 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,0,0,0,0,0|2,1,0]=3 82 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.12 CCNCc1csnn1 270004a_100015525214_100000738508 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,0,0,0,0,0|2,0,0]=2 91 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [0,0,0,0,0,0|2,1,0]=3 94 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [0,0,0,0,0,0|2,1,0]=3 95 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [0,0,0,0,0,0|2,1,0]=3 96 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [0,0,0,0,0,0|2,1,0]=3 97 B9R1.12 CCNCc1nnc[nH]1 2230a_200015183720_100000210202 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.12 CCNCn1cncn1 2230a_100015525214_200020645497 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.12 CCNN=C1CC=CC1 4a_100000756455_100000766571 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.12 CCOCC1=NCCN1 34a_100121572206_100000737910 [0,0,0,0,0,0|2,0,2]=4 102 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [0,0,0,0,0,0|1,0,2]=3 103 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,0,0,0,0,0|0,0,4]=4 104 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,0,0,0,0,0|0,0,4]=4 105 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,0,0,0,0,0|1,0,3]=4 106 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,0,0,0,0,0|1,0,3]=4 107 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,0,0,0,0,0|1,0,3]=4 108 B9R1.12 CCOCN1CC=CC1 269982a_100015195280_100000739092 [0,0,0,0,0,0|2,0,1]=3 109 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,0,0,0,0,0|2,0,0]=2 110 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,0,0,0|0,0,0]=0 111 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,0,0,0,0,0|0,1,0]=1 112 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,0,0,0,0,0|2,0,0]=2 113 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,0,0,0,0,0|1,0,0]=1 114 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,0,0,0,0,0|2,0,0]=2 115 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,0,0,0,0,0|2,0,0]=2 116 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,0,0,0,0,0|2,0,0]=2 117 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,0,0,0,0,0|2,0,0]=2 118 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,0,0,0,0,0|1,1,0]=2 119 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,0,0,0,0,0|2,0,0]=2 120 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,0,0,0,0,0|2,0,0]=2 121 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,0,0,0,0,0|1,0,0]=1 122 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,0,0,0,0,0|1,0,0]=1 123 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [0,0,0,0,0,0|1,1,0]=2 124 B9R1.12 CCOCc1ncon1 34a_100121572206_100000233494 [0,0,0,0,0,0|3,0,0]=3 125 B9R1.12 CCOCc1nnn[nH]1 34a_100121572206_100000765167 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [0,0,0,0,0,0|2,0,0]=2 127 B9R1.12 CCOCn1cncn1 34a_100121572206_200020645497 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,0,0,0,0,0|2,1,0]=3 129 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,0,0,0,0,0|2,1,0]=3 130 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,0,0,0,0,0|2,1,0]=3 131 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,0,0,0,0,0|2,1,0]=3 132 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,0,0,0,0,0|2,1,0]=3 133 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,0,0,0,0,0|2,1,0]=3 134 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,0,0,0,0,0|2,1,0]=3 135 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,0,0,0,0,0|2,1,0]=3 136 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,0,0,0,0,0|1,2,0]=3 137 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,0,0,0,0,0|1,2,0]=3 138 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,0,0,0,0,0|2,1,0]=3 139 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,0,0,0,0,0|2,1,0]=3 140 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,0,0,0,0,0|2,1,0]=3 141 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,0,0,0,0,0|2,1,0]=3 142 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,0,0,0,0,0|1,1,0]=2 143 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,0,0,0,0,0|1,1,0]=2 144 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,0,0,0,0,0|1,2,0]=3 145 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,0,0,0,0,0|1,2,0]=3 146 B9R1.12 CCSCc1ncon1 62a_100000210202_100000233494 [0,0,0,0,0,0|3,1,0]=4 147 B9R1.12 CCSCc1ncon1 62a_100000233494_100000210202 [0,0,0,0,0,0|3,1,0]=4 148 B9R1.12 CCSCn1cncn1 62a_100000210202_200020645497 [0,0,0,0,0,0|3,1,0]=4 149 B9R1.12 CCSCn1cncn1 62a_200020645497_100000210202 [0,0,0,0,0,0|3,1,0]=4 150 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,0,0,0,0,0|4,0,0]=4 151 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,0,0|2,0,0]=2 153 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,0,0|2,0,0]=2 154 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,0,0,0|2,1,0]=3 155 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,0,0,0|2,1,0]=3 156 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,0,0,0|2,1,0]=3 157 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,0,0,0|2,1,0]=3 158 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,0,0,0|2,1,0]=3 159 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,0,0,0,0,0|4,0,0]=4 161 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,0,0,0,0,0|3,1,0]=4 162 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,0,0,0,0,0|3,1,0]=4 163 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,0,0,0,0,0|4,0,0]=4 164 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,0,0,0,0,0|4,0,0]=4 166 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,0,0,0,0,0|4,0,0]=4 167 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,0,0,0,0,0|4,0,0]=4 168 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,0,0,0,0,0|4,0,0]=4 169 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,0,0,0,0,0|4,0,0]=4 170 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,0,0,0|2,1,0]=3 171 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,0,0,0|2,1,0]=3 172 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,0,0,0|2,1,0]=3 173 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,0,0,0,0,0|4,0,0]=4 174 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,0,0,0,0,0|4,0,0]=4 175 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,0,0,0,0,0|4,0,0]=4 176 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [0,0,0,0,0,0|4,0,0]=4 177 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [0,0,0,0,0,0|4,0,0]=4 178 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,0,0,0,0,0|3,0,0]=3 179 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,0,0,0,0,0|3,0,0]=3 180 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,0,0,0,0,0|3,1,0]=4 181 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,0,0,0,0,0|3,1,0]=4 182 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,0,0,0,0,0|4,0,0]=4 183 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,0,0,0,0,0|4,0,0]=4 184 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [0,0,0,0,0,0|4,0,0]=4 185 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [0,0,0,0,0,0|4,0,0]=4 186 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,0,0,0,0,0|4,0,0]=4 187 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,0,0,0,0,0|4,0,0]=4 188 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,0,0,0|2,1,0]=3 189 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,0,0,0|2,1,0]=3 190 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,0,0,0,0,0|4,0,0]=4 191 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,0,0,0,0,0|4,0,0]=4 192 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,0,0,0,0,0|4,0,0]=4 193 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,0,0,0,0,0|3,0,0]=3 195 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,0,0,0,0,0|3,0,0]=3 196 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,0,0,0,0,0|3,1,0]=4 197 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,0,0,0,0,0|3,1,0]=4 198 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [0,0,0,0,0,0|4,0,0]=4 199 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [0,0,0,0,0,0|4,0,0]=4 200 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [0,0,0,0,0,0|4,0,0]=4 201 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [0,0,0,0,0,0|4,0,0]=4 202 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,0,0,0,0,0|3,0,0]=3 203 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,0,0,0,0,0|3,0,0]=3 204 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,0,0,0,0,0|3,1,0]=4 205 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,0,0,0,0,0|3,1,0]=4 206 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,0,0,0,0,0|4,0,0]=4 207 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,0,0,0,0,0|4,0,0]=4 208 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [0,0,0,0,0,0|4,0,0]=4 209 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [0,0,0,0,0,0|4,0,0]=4 210 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,0,0,0,0,0|2,0,0]=2 211 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,0,0,0,0,0|4,0,0]=4 212 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,0,0,0,0,0|4,0,0]=4 213 B9R1.12 FCOCC1CC=CC1 34a_100000688395_100015361967 [0,0,0,0,0,0|2,0,2]=4 214 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,0,0,0,0,0|1,0,0]=1 215 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,0,0,0,0,0|1,1,0]=2 216 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,0,0,0,0,0|2,0,0]=2 217 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,0,0,0,0,0|3,0,0]=3 218 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,0,0,0,0,0|3,0,0]=3 219 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,0,0,0,0,0|2,0,0]=2 220 B9R1.12 FCOCn1cccn1 34a_100000731028_100015361967 [0,0,0,0,0,0|3,0,0]=3 221 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,0,0,0,0,0|3,1,0]=4 222 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,0,0,0,0,0|3,1,0]=4 223 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,0,0,0,0,0|3,1,0]=4 224 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,0,0,0,0,0|3,1,0]=4 225 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,0,0,0,0,0|3,1,0]=4 226 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,0,0,0,0,0|3,1,0]=4 227 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,0,0,0,0,0|3,1,0]=4 228 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,0,0,0,0,0|3,1,0]=4 229 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,0,0,0,0,0|2,2,0]=4 230 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,0,0,0,0,0|2,2,0]=4 231 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,0,0,0,0,0|3,1,0]=4 232 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,0,0,0,0,0|3,1,0]=4 233 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,0,0,0,0,0|3,1,0]=4 234 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,0,0,0,0,0|3,1,0]=4 235 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,0,0,0,0,0|2,1,0]=3 236 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,0,0,0,0,0|2,1,0]=3 237 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,0,0,0,0,0|2,2,0]=4 238 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,0,0,0,0,0|2,2,0]=4 239 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,0,0,0,0,0|3,0,1]=4 240 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,0,0,0,0,0|3,0,1]=4 241 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,0,0,0,0,0|3,0,1]=4 242 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,0,0,0,0,0|3,0,1]=4 243 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,0,0,0,0,0|3,0,0]=3 244 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,0,0,0,0,0|3,0,0]=3 245 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,0,0,0,0,0|3,1,0]=4 246 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,0,0,0,0,0|3,1,0]=4 247 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,0,0,0,0,0|4,0,0]=4 248 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,0,0,0,0,0|4,0,0]=4 249 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,0,0,0,0,0|4,0,0]=4 250 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,0,0,0,0,0|4,0,0]=4 251 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,0,0|2,0,0]=2 252 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,0,0|2,0,0]=2 253 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,0,0,0|2,1,0]=3 254 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,0,0,0|2,1,0]=3 255 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,0,0,0,0,0|4,0,0]=4 256 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,0,0,0,0,0|4,0,0]=4 257 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,0,0,0,0,0|3,1,0]=4 258 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,0,0,0,0,0|3,1,0]=4 259 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,0,0,0,0,0|4,0,0]=4 260 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,0,0,0,0,0|4,0,0]=4 261 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,0,0,0|2,1,0]=3 262 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,0,0,0|2,1,0]=3 263 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,0,0,0,0,0|4,0,0]=4 264 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,0,0,0,0,0|4,0,0]=4 265 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,0,0,0,0,0|4,0,0]=4 266 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [0,0,0,0,0,0|4,0,0]=4 267 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,0,0,0,0,0|4,0,0]=4 268 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,0,0,0,0,0|4,0,0]=4 269 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,0,0,0|2,1,0]=3 270 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,0,0,0|2,1,0]=3 271 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,0,0,0,0,0|4,0,0]=4 272 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,0,0,0,0,0|4,0,0]=4 273 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,0,0,0,0,0|4,0,0]=4 274 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,0,0,0,0,0|4,0,0]=4 275 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|0,0,3]=4 276 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|0,0,2]=3 277 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|0,1,2]=4 278 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|1,0,2]=4 279 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|1,0,2]=4 280 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,0,0|2,0,0]=3 282 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,0,0|2,0,0]=3 283 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [1,0,0,0,0,0|2,1,0]=4 284 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [1,0,0,0,0,0|2,1,0]=4 285 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [1,0,0,0,0,0|2,1,0]=4 286 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [1,0,0,0,0,0|2,1,0]=4 287 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|0,1,0]=2 288 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|0,1,0]=2 289 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|0,2,0]=3 290 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|0,2,0]=3 291 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,0,0|2,1,0]=4 292 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,0,0|2,1,0]=4 293 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [1,0,0,0,0,0|2,1,0]=4 294 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [1,0,0,0,0,0|2,1,0]=4 295 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,0,0|2,1,0]=4 296 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,0,0|2,1,0]=4 297 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [1,0,0,0,0,0|2,1,0]=4 298 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [1,0,0,0,0,0|2,1,0]=4 299 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|1,1,0]=3 300 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|1,1,0]=3 301 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [1,0,0,0,0,0|1,2,0]=4 302 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [1,0,0,0,0,0|1,2,0]=4 303 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,0,0,0,0,0|2,1,0]=4 304 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,0,0,0,0,0|2,1,0]=4 305 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,0,0,0,0,0|2,1,0]=4 306 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,0,0,0,0,0|2,1,0]=4 307 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|1,1,0]=3 308 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|1,1,0]=3 309 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,0,0,0,0,0|1,2,0]=4 310 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,0,0,0,0,0|1,2,0]=4 311 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [1,0,0,0,0,0|3,0,0]=4 313 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [1,0,0,0,0,0|3,0,0]=4 315 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|1,0,0]=2 316 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|1,0,0]=2 317 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|1,0,0]=2 318 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|1,0,0]=2 319 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|1,1,0]=3 320 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|1,1,0]=3 321 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|1,1,0]=3 322 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,0,0|3,0,0]=4 328 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,0,0|3,0,0]=4 329 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 330 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,0,0,0|3,0,0]=4 331 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 332 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,0,0|3,0,0]=4 338 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,0,0|3,0,0]=4 339 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,0,0,0,0,0|3,0,0]=4 340 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,0,0|2,0,0]=3 341 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [1,0,0,0,0,0|2,1,0]=4 342 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [1,0,0,0,0,0|2,1,0]=4 343 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [1,0,0,0,0,0|2,1,0]=4 344 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [1,0,0,0,0,0|2,1,0]=4 345 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [1,0,0,0,0,0|2,1,0]=4 346 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [1,0,0,0,0,0|2,1,0]=4 347 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [1,0,0,0,0,0|3,0,0]=4 348 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,0,0,0,0,0|3,0,0]=4 349 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 351 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,0,0,0,0,0|3,0,0]=4 352 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,0,0,0,0,0|3,0,0]=4 353 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 354 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,0,0|3,0,0]=4 355 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,0,0|3,0,0]=4 356 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,0,0|3,0,0]=4 357 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,0,0|3,0,0]=4 358 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|2,0,0]=3 359 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|2,0,0]=3 360 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|2,0,0]=3 361 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|2,0,0]=3 362 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|2,0,0]=3 363 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,0,0|2,1,0]=4 364 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,0,0|2,1,0]=4 365 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,0,0|2,1,0]=4 366 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,0,0|2,1,0]=4 367 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,0,0|2,1,0]=4 368 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,0,0|2,1,0]=4 369 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,0,0,0|1,0,2]=4 370 B8R1.8 COCN1CC=CC1 269982a_100015195280_100000766300 [1,0,0,0,0,0|2,0,1]=4 371 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,0,0|2,0,0]=3 372 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|0,0,0]=1 373 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|0,1,0]=2 374 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,0,0,0,0,0|2,0,0]=3 375 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,0,0,0,0,0|1,0,0]=2 376 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,0,0|2,0,0]=3 377 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,0,0|2,0,0]=3 378 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,0,0|2,0,0]=3 379 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,0,0|2,0,0]=3 380 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,0,0,0,0,0|1,1,0]=3 381 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,0,0|2,0,0]=3 382 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,0,0|2,0,0]=3 383 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|1,0,0]=2 384 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|1,0,0]=2 385 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,0,0|1,1,0]=3 386 B8R1.8 COCc1ncon1 34a_100138415774_100000233494 [1,0,0,0,0,0|3,0,0]=4 387 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,0,0|2,0,0]=3 388 B8R1.8 COCn1cncn1 34a_100138415774_200020645497 [1,0,0,0,0,0|3,0,0]=4 389 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,0,0|2,1,0]=4 390 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,0,0|2,1,0]=4 391 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,0,0,0,0,0|2,1,0]=4 392 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,0,0,0,0,0|2,1,0]=4 393 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,0,0|2,1,0]=4 394 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,0,0|2,1,0]=4 395 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,0,0|2,1,0]=4 396 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,0,0|2,1,0]=4 397 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|1,2,0]=4 398 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|1,2,0]=4 399 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,0,0|2,1,0]=4 400 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,0,0|2,1,0]=4 401 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|2,1,0]=4 402 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|2,1,0]=4 403 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|1,1,0]=3 404 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|1,1,0]=3 405 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|1,2,0]=4 406 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|1,2,0]=4 407 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [1,0,0,0,0,0|3,0,0]=4 408 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [1,0,0,0,0,0|3,0,0]=4 409 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|1,1,0]=3 410 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|1,1,0]=3 411 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,0,0,0,0,0|1,2,0]=4 412 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,0,0,0,0,0|1,2,0]=4 413 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [1,0,0,0,0,0|2,1,0]=4 414 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [1,0,0,0,0,0|2,1,0]=4 415 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,0,0,0,0,0|2,1,0]=4 416 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,0,0,0,0,0|2,1,0]=4 417 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|1,0,0]=2 418 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|1,0,0]=2 419 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|1,1,0]=3 420 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,0,0|3,0,0]=4 424 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [1,0,0,0,0,0|2,1,0]=4 425 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|2,0,0]=3 427 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,0,0|2,1,0]=4 428 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,0,0,0|1,0,2]=4 429 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|0,0,0]=1 430 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|0,1,0]=2 431 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,0,0,0,0,0|1,0,0]=2 432 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,0,0|2,0,0]=3 433 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,0,0|2,0,0]=3 434 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|1,0,0]=2 435 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,0,0|2,1,0]=4 437 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,0,0|2,1,0]=4 438 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,0,0,0,0,0|2,1,0]=4 439 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,0,0,0,0,0|2,1,0]=4 440 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,0,0|2,1,0]=4 441 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,0,0|2,1,0]=4 442 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,0,0|2,1,0]=4 443 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,0,0|2,1,0]=4 444 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|1,2,0]=4 445 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|1,2,0]=4 446 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,0,0|2,1,0]=4 447 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,0,0|2,1,0]=4 448 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|2,1,0]=4 449 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|2,1,0]=4 450 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|1,1,0]=3 451 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|1,1,0]=3 452 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|1,2,0]=4 453 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|1,2,0]=4 454 B10R1.11 CC(OCF)c1ccsc1 34a_100011350980_100015361967 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.11 CC(OCF)c1ccsc1 7a_100011350980_100015361967 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.11 CC(OCF)c1nccs1 7a_100000751044_100015361967 [0,1,0,0,0,0|2,1,0]=4 457 B10R1.11 CCNC(C)c1cc[nH]c1 269862a_100015525214_100000753940 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,1,0,0,0,0|1,1,0]=3 460 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,1,0,0,0,0|1,1,0]=3 461 B10R1.11 CCNC(C)c1ccn[nH]1 269862a_100015525214_100000747476 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.11 CCNC(C)c1ccoc1 2230a_100000690049_100000210202 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.11 CCNC(C)c1ccsc1 2230a_100000748604_100000210202 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.11 CCNC(C)c1ccsc1 269862a_100015525214_100000747891 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.11 CCNC(C)c1cscn1 269862a_100015525214_100000693406 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.11 CCNC(C)c1ncc[nH]1 269862a_100015525214_100000718901 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [0,1,0,0,0,0|2,1,0]=4 468 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,1,0,0,0,0|1,0,0]=2 469 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [0,1,0,0,0,0|2,0,0]=3 470 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [0,1,0,0,0,0|2,0,0]=3 471 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [0,1,0,0,0,0|1,1,0]=3 472 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,1,0,0,0,0|0,0,0]=1 473 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,1,0,0,0,0|0,0,0]=1 474 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,1,0,0,0,0|0,1,0]=2 475 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,1,0,0,0,0|2,1,0]=4 478 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.11 C[C@@H](OCF)c1cccs1 7a_100000750433_100015361967 [0,1,0,0,0,0|1,1,0]=3 481 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [0,1,0,0,0,0|1,0,0]=2 482 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [0,1,0,0,0,0|1,0,0]=2 483 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,0,0|2,0,0]=3 484 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,1,0,0,0,0|2,1,0]=4 485 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,1,0,0,0,0|1,1,0]=3 491 B10R1.16 CCCCc1cc(n[nH]1)Br 271570a_100020621405_100160470719 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,1,0,0,0,0|2,1,0]=4 493 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,0,0,0|1,1,0]=3 494 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,0,0,0|1,1,0]=3 495 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,1,0,0,0,0|2,1,0]=4 498 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,1,0,0,0,0|3,0,0]=4 499 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [0,1,0,0,0,0|2,1,0]=4 503 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,1,0,0,0,0|2,1,0]=4 504 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [0,1,0,0,0,0|2,1,0]=4 505 B10R1.16 CCCCc1nc(no1)C 270196a_100000212224_100000210183 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,1,0,0,0,0|2,1,0]=4 507 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.16 CCCCn1cc(cn1)O 271570a_203496583355_200011400202 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.16 CCCSc1cc(cs1)C 62a_100000210303_100009876951 [0,1,0,0,0,0|2,1,0]=4 510 B10R1.16 CCCSc1cc(cs1)C 62a_100009876951_100000210303 [0,1,0,0,0,0|2,1,0]=4 511 B10R1.16 CCCSc1ccc(s1)Br 62a_100000210303_100010197418 [0,1,0,0,0,0|2,1,0]=4 512 B10R1.16 CCCSc1ccc(s1)Br 62a_100010197418_100000210303 [0,1,0,0,0,0|2,1,0]=4 513 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,1,0,0,0,0|2,1,0]=4 514 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,1,0,0,0,0|2,1,0]=4 515 B10R1.16 CCNCc1c[nH]c(n1)C 207a_100015525214_100011219055 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.16 CCNCc1cc(c[nH]1)Br 270004a_100015525214_100000720742 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [0,1,0,0,0,0|1,0,0]=2 518 B10R1.16 CCNCc1cc(cs1)Br 207a_100015525214_100000211722 [0,1,0,0,0,0|1,1,0]=3 519 B10R1.16 CCNCc1cc(cs1)Br 2230a_100000741024_100000210202 [0,1,0,0,0,0|1,1,0]=3 520 B10R1.16 CCNCc1cc(cs1)Br 2230a_100015525214_100000746031 [0,1,0,0,0,0|1,1,0]=3 521 B10R1.16 CCNCc1cc(cs1)Br 270004a_100015525214_100000211722 [0,1,0,0,0,0|1,1,0]=3 522 B10R1.16 CCNCc1cc(cs1)Br 34a_100000741024_100000210202 [0,1,0,0,0,0|1,1,0]=3 523 B10R1.16 CCNCc1cc(cs1)C 207a_100015525214_100102525248 [0,1,0,0,0,0|1,1,0]=3 524 B10R1.16 CCNCc1cc(cs1)C 2230a_100015204214_100000210202 [0,1,0,0,0,0|1,1,0]=3 525 B10R1.16 CCNCc1cc(cs1)C 270004a_100015525214_100102525248 [0,1,0,0,0,0|1,1,0]=3 526 B10R1.16 CCNCc1cc(cs1)C 34a_100015204214_100000210202 [0,1,0,0,0,0|1,1,0]=3 527 B10R1.16 CCNCc1cc(cs1)Cl 207a_100015525214_100000102487 [0,1,0,0,0,0|1,1,0]=3 528 B10R1.16 CCNCc1cc(cs1)Cl 270004a_100015525214_100000102487 [0,1,0,0,0,0|1,1,0]=3 529 B10R1.16 CCNCc1cc(cs1)I 207a_100015525214_100010179861 [0,1,0,0,0,0|1,1,0]=3 530 B10R1.16 CCNCc1cc(n[nH]1)C 207a_100015525214_100000028150 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.16 CCNCc1cc(n[nH]1)C 270004a_100015525214_100000028150 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.16 CCNCc1cc(no1)Br 2230a_100015193020_100000210202 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.16 CCNCc1cc(no1)Br 270004a_100015525214_100009819588 [0,1,0,0,0,0|2,0,0]=3 534 B10R1.16 CCNCc1cc(no1)Br 34a_100015193020_100000210202 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.16 CCNCc1cc(no1)C 207a_100015525214_100011794430 [0,1,0,0,0,0|2,0,0]=3 536 B10R1.16 CCNCc1cc(no1)C 2230a_100000745748_100000210202 [0,1,0,0,0,0|2,0,0]=3 537 B10R1.16 CCNCc1cc(no1)C 2230a_100015525214_100000707947 [0,1,0,0,0,0|2,0,0]=3 538 B10R1.16 CCNCc1cc(no1)C 270004a_100015525214_100011794430 [0,1,0,0,0,0|2,0,0]=3 539 B10R1.16 CCNCc1cc(no1)C 34a_100000745748_100000210202 [0,1,0,0,0,0|2,0,0]=3 540 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.16 CCNCc1cc(sn1)C 207a_100015525214_200000100279 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.16 CCNCc1cc(sn1)C 270004a_100015525214_200000100279 [0,1,0,0,0,0|3,0,0]=4 547 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,1,0,0,0,0|1,0,0]=2 548 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,1,0,0,0,0|1,0,0]=2 549 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,1,0,0,0,0|1,0,0]=2 550 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,1,0,0,0,0|1,0,0]=2 551 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,1,0,0,0,0|1,0,0]=2 552 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,1,0,0,0,0|1,0,0]=2 553 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,1,0,0,0,0|1,0,0]=2 554 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,1,0,0,0,0|1,0,0]=2 555 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,1,0,0,0,0|1,0,0]=2 556 B10R1.16 CCNCc1ccc(s1)Br 207a_100015525214_100000179771 [0,1,0,0,0,0|1,1,0]=3 557 B10R1.16 CCNCc1ccc(s1)Br 2230a_100015525214_100000708592 [0,1,0,0,0,0|1,1,0]=3 558 B10R1.16 CCNCc1ccc(s1)Br 270004a_100015525214_100000179771 [0,1,0,0,0,0|1,1,0]=3 559 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,1,0,0,0,0|1,1,0]=3 560 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,1,0,0,0,0|1,1,0]=3 561 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,1,0,0,0,0|1,1,0]=3 562 B10R1.16 CCNCc1ccc(s1)Cl 207a_100015525214_100000242774 [0,1,0,0,0,0|1,1,0]=3 563 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100000737310_100000210202 [0,1,0,0,0,0|1,1,0]=3 564 B10R1.16 CCNCc1ccc(s1)Cl 2230a_100015525214_100000185097 [0,1,0,0,0,0|1,1,0]=3 565 B10R1.16 CCNCc1ccc(s1)Cl 270004a_100015525214_100000242774 [0,1,0,0,0,0|1,1,0]=3 566 B10R1.16 CCNCc1ccn(n1)C 207a_100015525214_100000750880 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.16 CCNCc1ccn(n1)C 2230a_100015525214_100000726502 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.16 CCNCc1ccn(n1)C 2230a_100020636201_100000210202 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.16 CCNCc1ccn(n1)C 270004a_100015525214_100000750880 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.16 CCNCc1ccn(n1)C 34a_100020636201_100000210202 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.16 CCNCc1cn(cn1)C 207a_100015525214_100000684808 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.16 CCNCc1cn(cn1)C 2230a_100015525214_100000717665 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.16 CCNCc1cn(cn1)C 270004a_100015525214_100000684808 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,1,0,0,0,0|2,0,0]=3 575 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,1,0,0,0,0|2,0,0]=3 576 B10R1.16 CCNCc1cnc(s1)Br 2230a_100000726991_100000210202 [0,1,0,0,0,0|2,1,0]=4 577 B10R1.16 CCNCc1cnc(s1)Br 2230a_100015525214_100000717027 [0,1,0,0,0,0|2,1,0]=4 578 B10R1.16 CCNCc1cnc(s1)Br 270004a_100015525214_100009814069 [0,1,0,0,0,0|2,1,0]=4 579 B10R1.16 CCNCc1cnc(s1)C 207a_100015525214_100000740557 [0,1,0,0,0,0|2,1,0]=4 580 B10R1.16 CCNCc1cnc(s1)C 2230a_100015525214_100020635045 [0,1,0,0,0,0|2,1,0]=4 581 B10R1.16 CCNCc1cnc(s1)C 2230a_200000743601_100000210202 [0,1,0,0,0,0|2,1,0]=4 582 B10R1.16 CCNCc1cnc(s1)C 270004a_100015525214_100000740557 [0,1,0,0,0,0|2,1,0]=4 583 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100000726635_100000210202 [0,1,0,0,0,0|2,1,0]=4 584 B10R1.16 CCNCc1cnc(s1)Cl 2230a_100015525214_100000058068 [0,1,0,0,0,0|2,1,0]=4 585 B10R1.16 CCNCc1cnc(s1)Cl 270004a_100015525214_100000696999 [0,1,0,0,0,0|2,1,0]=4 586 B10R1.16 CCNCc1coc(n1)C 207a_100015525214_100011361629 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.16 CCNCc1coc(n1)C 270004a_100015525214_100011361629 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.16 CCNCc1csc(c1)Br 207a_100015525214_100000737087 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.16 CCNCc1csc(c1)Br 270004a_100015525214_100000737087 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.16 CCNCc1csc(c1)C 207a_100015525214_100011998532 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.16 CCNCc1csc(c1)C 270004a_100015525214_100011998532 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.16 CCNCc1csc(c1)Cl 207a_100015525214_100009844934 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.16 CCNCc1csc(c1)Cl 270004a_100015525214_100009844934 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.16 CCNCc1csc(n1)Br 270004a_100015525214_100009816748 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.16 CCNCc1csc(n1)C 207a_100015525214_100000203724 [0,1,0,0,0,0|3,0,0]=4 596 B10R1.16 CCNCc1csc(n1)C 2230a_100015525214_100015186478 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.16 CCNCc1csc(n1)C 270004a_100015525214_100000203724 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.16 CCNCc1csc(n1)C 34a_100000707933_100000210202 [0,1,0,0,0,0|3,0,0]=4 599 B10R1.16 CCNCc1csc(n1)Cl 2230a_100015525214_100000024076 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.16 CCNCc1csc(n1)Cl 270004a_100015525214_100011935135 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.16 CCNCc1nc(c[nH]1)C 207a_100015525214_100000082322 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.16 CCNCc1nc(c[nH]1)C 270004a_100015525214_100000082322 [0,1,0,0,0,0|3,0,0]=4 603 B10R1.16 CCNCc1nc(cs1)Br 270004a_100015525214_100009816814 [0,1,0,0,0,0|2,1,0]=4 604 B10R1.16 CCNCc1nc(cs1)C 207a_100015525214_100000756994 [0,1,0,0,0,0|2,1,0]=4 605 B10R1.16 CCNCc1nc(cs1)C 2230a_100015183719_100000210202 [0,1,0,0,0,0|2,1,0]=4 606 B10R1.16 CCNCc1nc(cs1)C 270004a_100015525214_100000756994 [0,1,0,0,0,0|2,1,0]=4 607 B10R1.16 CCNCc1nc(no1)C 2230a_100015525214_100000735555 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.16 CCNCc1ncc(s1)Br 270004a_100015525214_100000699580 [0,1,0,0,0,0|2,1,0]=4 611 B10R1.16 CCNCc1ncc(s1)C 207a_100015525214_100011361622 [0,1,0,0,0,0|2,1,0]=4 612 B10R1.16 CCNCc1ncc(s1)C 270004a_100015525214_100011361622 [0,1,0,0,0,0|2,1,0]=4 613 B10R1.16 CCNCc1ncc(s1)Cl 270004a_100015525214_100000699884 [0,1,0,0,0,0|2,1,0]=4 614 B10R1.16 CCNCc1nnc(o1)C 2230a_100015525214_100000181450 [0,1,0,0,0,0|3,0,0]=4 615 B10R1.16 CCNCc1nnc(o1)C 2230a_200000236979_100000210202 [0,1,0,0,0,0|3,0,0]=4 616 B10R1.16 CCNCc1nnc(o1)C 34a_200000236979_100000210202 [0,1,0,0,0,0|3,0,0]=4 617 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,0,0,0|1,0,2]=4 619 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,0,0,0|1,0,2]=4 620 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,0,0,0|1,0,2]=4 621 B10R1.16 CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210202 [0,1,0,0,0,0|1,0,2]=4 622 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [0,1,0,0,0,0|0,1,0]=2 623 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [0,1,0,0,0,0|0,1,0]=2 624 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [0,1,0,0,0,0|0,1,0]=2 625 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,1,0,0,0,0|0,1,0]=2 626 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,1,0,0,0,0|0,1,0]=2 627 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [0,1,0,0,0,0|0,1,0]=2 628 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [0,1,0,0,0,0|1,0,0]=2 629 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [0,1,0,0,0,0|1,0,0]=2 630 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [0,1,0,0,0,0|1,0,0]=2 631 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [0,1,0,0,0,0|2,0,0]=3 632 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [0,1,0,0,0,0|2,0,0]=3 633 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,1,0,0,0,0|0,0,0]=1 634 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,1,0,0,0,0|0,0,0]=1 635 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,1,0,0,0,0|0,0,0]=1 636 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,1,0,0,0,0|0,0,0]=1 637 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [0,1,0,0,0,0|0,1,0]=2 638 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,1,0,0,0,0|0,1,0]=2 639 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [0,1,0,0,0,0|0,1,0]=2 640 B10R1.16 CCOCc1ccn(n1)C 34a_100000744484_100000210202 [0,1,0,0,0,0|2,0,0]=3 641 B10R1.16 CCOCc1ccn(n1)C 34a_100121572206_100000726502 [0,1,0,0,0,0|2,0,0]=3 642 B10R1.16 CCOCc1cn(cn1)C 34a_100000710007_100000210202 [0,1,0,0,0,0|2,0,0]=3 643 B10R1.16 CCOCc1cn(cn1)C 34a_100121572206_100000717665 [0,1,0,0,0,0|2,0,0]=3 644 B10R1.16 CCOCc1cnc(s1)Br 34a_100121572206_100000717027 [0,1,0,0,0,0|1,1,0]=3 645 B10R1.16 CCOCc1cnc(s1)Br 7a_100009816753_100000210202 [0,1,0,0,0,0|1,1,0]=3 646 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,1,0,0,0,0|1,1,0]=3 647 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,1,0,0,0,0|1,1,0]=3 648 B10R1.16 CCOCc1cnc(s1)Cl 34a_100121572206_100000058068 [0,1,0,0,0,0|1,1,0]=3 649 B10R1.16 CCOCc1cnc(s1)Cl 7a_100000697714_100000210202 [0,1,0,0,0,0|1,1,0]=3 650 B10R1.16 CCOCc1cnc(s1)N 7a_100011997359_100000210202 [0,1,0,0,0,0|1,1,0]=3 651 B10R1.16 CCOCc1cnn(c1)C 34a_100000239500_100000210202 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.16 CCOCc1cnn(c1)C 34a_100121572206_100000744441 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.16 CCOCc1coc(n1)C 34a_100012017233_100000210202 [0,1,0,0,0,0|2,0,0]=3 654 B10R1.16 CCOCc1csc(c1)Cl 34a_100009863405_100000210202 [0,1,0,0,0,0|2,0,0]=3 655 B10R1.16 CCOCc1csc(c1)Cl 7a_100009863405_100000210202 [0,1,0,0,0,0|2,0,0]=3 656 B10R1.16 CCOCc1csc(n1)C 34a_100000735831_100000210202 [0,1,0,0,0,0|2,0,0]=3 657 B10R1.16 CCOCc1csc(n1)C 34a_100121572206_100015186478 [0,1,0,0,0,0|2,0,0]=3 658 B10R1.16 CCOCc1csc(n1)Cl 34a_100121572206_100000024076 [0,1,0,0,0,0|2,0,0]=3 659 B10R1.16 CCOCc1nc(cs1)Br 7a_100012000107_100000210202 [0,1,0,0,0,0|1,1,0]=3 660 B10R1.16 CCOCc1nc(no1)C 270196a_100000212224_100000211967 [0,1,0,0,0,0|2,0,0]=3 661 B10R1.16 CCOCc1nc(no1)C 34a_100000749583_100000210202 [0,1,0,0,0,0|2,0,0]=3 662 B10R1.16 CCOCc1nc(no1)C 34a_100121572206_100000735555 [0,1,0,0,0,0|2,0,0]=3 663 B10R1.16 CCOCc1ncn(n1)C 34a_100121572206_100016995526 [0,1,0,0,0,0|3,0,0]=4 664 B10R1.16 CCOCc1nnc(o1)C 34a_100000749586_100000210202 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.16 CCOCc1nnc(s1)C 34a_100121572206_100000688753 [0,1,0,0,0,0|2,1,0]=4 666 B10R1.16 CCOCc1nnc(s1)N 7a_100000691500_100000210202 [0,1,0,0,0,0|2,1,0]=4 667 B10R1.16 CCOCc1noc(n1)C 34a_100121572206_100000231061 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.16 CCOCc1nsc(n1)Cl 34a_100121572206_100000043760 [0,1,0,0,0,0|3,0,0]=4 669 B10R1.16 CCOCn1cc(cn1)Cl 34a_100000732729_100000210202 [0,1,0,0,0,0|2,0,0]=3 670 B10R1.16 CCOCn1cc(nn1)C 274090a_100000739092_200000242740 [0,1,0,0,0,0|3,0,0]=4 671 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,1,0,0,0,0|2,1,0]=4 672 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,1,0,0,0,0|2,1,0]=4 673 B10R1.16 CCSCc1cc(cs1)Br 62a_100000210202_100000746031 [0,1,0,0,0,0|0,2,0]=3 674 B10R1.16 CCSCc1cc(cs1)Br 62a_100000746031_100000210202 [0,1,0,0,0,0|0,2,0]=3 675 B10R1.16 CCSCc1cc(no1)Br 62a_100000210202_100000709089 [0,1,0,0,0,0|1,1,0]=3 676 B10R1.16 CCSCc1cc(no1)Br 62a_100000709089_100000210202 [0,1,0,0,0,0|1,1,0]=3 677 B10R1.16 CCSCc1cc(no1)C 62a_100000210202_100000707947 [0,1,0,0,0,0|1,1,0]=3 678 B10R1.16 CCSCc1cc(no1)C 62a_100000707947_100000210202 [0,1,0,0,0,0|1,1,0]=3 679 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [0,1,0,0,0,0|2,1,0]=4 680 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [0,1,0,0,0,0|2,1,0]=4 681 B10R1.16 CCSCc1ccc(s1)Br 62a_100000210202_100000708592 [0,1,0,0,0,0|0,2,0]=3 682 B10R1.16 CCSCc1ccc(s1)Br 62a_100000708592_100000210202 [0,1,0,0,0,0|0,2,0]=3 683 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000185097_100000210202 [0,1,0,0,0,0|0,2,0]=3 684 B10R1.16 CCSCc1ccc(s1)Cl 62a_100000210202_100000185097 [0,1,0,0,0,0|0,2,0]=3 685 B10R1.16 CCSCc1ccn(n1)C 62a_100000210202_100000726502 [0,1,0,0,0,0|2,1,0]=4 686 B10R1.16 CCSCc1ccn(n1)C 62a_100000726502_100000210202 [0,1,0,0,0,0|2,1,0]=4 687 B10R1.16 CCSCc1cn(cn1)C 62a_100000210202_100000717665 [0,1,0,0,0,0|2,1,0]=4 688 B10R1.16 CCSCc1cn(cn1)C 62a_100000717665_100000210202 [0,1,0,0,0,0|2,1,0]=4 689 B10R1.16 CCSCc1cnc(s1)Br 62a_100000210202_100000717027 [0,1,0,0,0,0|1,2,0]=4 690 B10R1.16 CCSCc1cnc(s1)Br 62a_100000717027_100000210202 [0,1,0,0,0,0|1,2,0]=4 691 B10R1.16 CCSCc1cnc(s1)C 62a_100000210202_100020635045 [0,1,0,0,0,0|1,2,0]=4 692 B10R1.16 CCSCc1cnc(s1)C 62a_100020635045_100000210202 [0,1,0,0,0,0|1,2,0]=4 693 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000058068_100000210202 [0,1,0,0,0,0|1,2,0]=4 694 B10R1.16 CCSCc1cnc(s1)Cl 62a_100000210202_100000058068 [0,1,0,0,0,0|1,2,0]=4 695 B10R1.16 CCSCc1csc(n1)C 62a_100000210202_100015186478 [0,1,0,0,0,0|2,1,0]=4 696 B10R1.16 CCSCc1csc(n1)C 62a_100015186478_100000210202 [0,1,0,0,0,0|2,1,0]=4 697 B10R1.16 CCSCc1csc(n1)Cl 62a_100000024076_100000210202 [0,1,0,0,0,0|2,1,0]=4 698 B10R1.16 CCSCc1csc(n1)Cl 62a_100000210202_100000024076 [0,1,0,0,0,0|2,1,0]=4 699 B10R1.16 CCSCc1nc(no1)C 270196a_100000212224_100000230394 [0,1,0,0,0,0|2,1,0]=4 700 B10R1.16 CCSCc1nc(no1)C 62a_100000210202_100000735555 [0,1,0,0,0,0|2,1,0]=4 701 B10R1.16 CCSCc1nc(no1)C 62a_100000735555_100000210202 [0,1,0,0,0,0|2,1,0]=4 702 B10R1.16 CCSCc1nnc(o1)C 62a_100000181450_100000210202 [0,1,0,0,0,0|2,1,0]=4 703 B10R1.16 CCSCc1nnc(o1)C 62a_100000210202_100000181450 [0,1,0,0,0,0|2,1,0]=4 704 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,0,0,0|2,0,0]=3 705 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,0,0,0|2,0,0]=3 706 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,1,0,0,0,0|2,1,0]=4 707 B10R1.16 COCCc1cc(no1)Br 34a_100009816916_200000210301 [0,1,0,0,0,0|3,0,0]=4 708 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,1,0,0,0,0|2,0,0]=3 709 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,1,0,0,0,0|2,0,0]=3 710 B10R1.16 Cc1cc(no1)COCF 34a_100011216401_100015361967 [0,1,0,0,0,0|3,0,0]=4 711 B10R1.16 Cc1cc(on1)CNCF 34a_100000745748_100015361967 [0,1,0,0,0,0|3,0,0]=4 712 B10R1.16 Cc1cc(on1)COCF 34a_100000684692_100015361967 [0,1,0,0,0,0|2,0,0]=3 713 B10R1.16 Cc1cc(on1)CSCF 62a_100000707947_100015361967 [0,1,0,0,0,0|2,1,0]=4 714 B10R1.16 Cc1cc(on1)CSCF 62a_100015361967_100000707947 [0,1,0,0,0,0|2,1,0]=4 715 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,0,0,0|2,0,0]=3 716 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,0,0,0|2,0,0]=3 717 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,1,0,0,0,0|2,0,0]=3 719 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,1,0,0,0,0|2,0,0]=3 720 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,1,0,0,0,0|1,0,0]=2 721 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,1,0,0,0,0|1,0,0]=2 722 B10R1.16 Cc1ccc(s1)COCF 34a_100000238367_100015361967 [0,1,0,0,0,0|1,1,0]=3 723 B10R1.16 Cc1cnc(o1)CNCF 34a_100138411809_100015361967 [0,1,0,0,0,0|3,0,0]=4 724 B10R1.16 Cc1csc(c1)CNCF 34a_100015204214_100015361967 [0,1,0,0,0,0|2,1,0]=4 725 B10R1.16 Cc1csc(c1)COCF 34a_200000068372_100015361967 [0,1,0,0,0,0|1,1,0]=3 726 B10R1.16 Cc1csc(c1)COCF 7a_200000068372_100015361967 [0,1,0,0,0,0|1,1,0]=3 727 B10R1.16 Cc1nc(co1)COCF 34a_100012017233_100015361967 [0,1,0,0,0,0|3,0,0]=4 728 B10R1.16 Cc1nc(cs1)COCF 34a_100000735831_100015361967 [0,1,0,0,0,0|3,0,0]=4 729 B10R1.16 Cc1ncc(s1)COCF 7a_100000743366_100015361967 [0,1,0,0,0,0|2,1,0]=4 730 B10R1.16 Cc1nnc(o1)COCF 34a_100000749586_100015361967 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.16 Cc1noc(n1)COCF 34a_100000749583_100015361967 [0,1,0,0,0,0|3,0,0]=4 732 B10R1.16 Cn1ccc(n1)COCF 34a_100000744484_100015361967 [0,1,0,0,0,0|3,0,0]=4 733 B10R1.16 Cn1cnc(c1)COCF 34a_100000710007_100015361967 [0,1,0,0,0,0|3,0,0]=4 734 B10R1.16 FCNCc1cc(cs1)Br 34a_100000741024_100015361967 [0,1,0,0,0,0|2,1,0]=4 735 B10R1.16 FCNCc1cc(no1)Br 34a_100015193020_100015361967 [0,1,0,0,0,0|3,0,0]=4 736 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [0,1,0,0,0,0|2,0,0]=3 737 B10R1.16 FCOCc1cc(cs1)Br 34a_100000238369_100015361967 [0,1,0,0,0,0|1,1,0]=3 738 B10R1.16 FCOCc1cc(cs1)Br 7a_100000238369_100015361967 [0,1,0,0,0,0|1,1,0]=3 739 B10R1.16 FCOCc1cc(no1)Br 34a_100009816691_100015361967 [0,1,0,0,0,0|2,0,0]=3 740 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [0,1,0,0,0,0|1,0,0]=2 741 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [0,1,0,0,0,0|1,0,0]=2 742 B10R1.16 FCOCc1cnc(s1)Br 7a_100009816753_100015361967 [0,1,0,0,0,0|2,1,0]=4 743 B10R1.16 FCOCc1cnc(s1)Cl 7a_100000697714_100015361967 [0,1,0,0,0,0|2,1,0]=4 744 B10R1.16 FCOCc1csc(c1)Cl 34a_100009863405_100015361967 [0,1,0,0,0,0|3,0,0]=4 745 B10R1.16 FCOCc1csc(c1)Cl 7a_100009863405_100015361967 [0,1,0,0,0,0|3,0,0]=4 746 B10R1.16 FCOCc1nc(cs1)Br 7a_100012000107_100015361967 [0,1,0,0,0,0|2,1,0]=4 747 B10R1.16 FCOCn1cc(cn1)Cl 34a_100000732729_100015361967 [0,1,0,0,0,0|3,0,0]=4 748 B10R1.16 FCSCc1cc(cs1)Br 62a_100000746031_100015361967 [0,1,0,0,0,0|1,2,0]=4 749 B10R1.16 FCSCc1cc(cs1)Br 62a_100015361967_100000746031 [0,1,0,0,0,0|1,2,0]=4 750 B10R1.16 FCSCc1cc(no1)Br 62a_100000709089_100015361967 [0,1,0,0,0,0|2,1,0]=4 751 B10R1.16 FCSCc1cc(no1)Br 62a_100015361967_100000709089 [0,1,0,0,0,0|2,1,0]=4 752 B10R1.16 FCSCc1ccc(s1)Br 62a_100000708592_100015361967 [0,1,0,0,0,0|1,2,0]=4 753 B10R1.16 FCSCc1ccc(s1)Br 62a_100015361967_100000708592 [0,1,0,0,0,0|1,2,0]=4 754 B10R1.16 FCSCc1ccc(s1)Cl 62a_100000185097_100015361967 [0,1,0,0,0,0|1,2,0]=4 755 B10R1.16 FCSCc1ccc(s1)Cl 62a_100015361967_100000185097 [0,1,0,0,0,0|1,2,0]=4 756 B10R1.16 Nc1ncc(s1)COCF 7a_100011997359_100015361967 [0,1,0,0,0,0|2,1,0]=4 757 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,1,0,0,0,0|2,1,0]=4 758 B10R1.16 [13CH3]OCCc1cc(no1)Br 34a_100009816916_200025704644 [0,1,0,0,0,0|3,0,0]=4 759 B10R1.21 BrCCOCc1c[nH]cn1 34a_100000211926_100000707719 [0,1,0,0,0,0|2,0,0]=3 760 B10R1.21 BrCCOCc1ccn[nH]1 34a_100000211926_100000728653 [0,1,0,0,0,0|2,0,0]=3 761 B10R1.21 BrCCOCc1ccon1 34a_100000211926_100000234950 [0,1,0,0,0,0|2,0,0]=3 762 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,1,0,0,0,0|2,0,0]=3 763 B10R1.21 BrCCOCc1cncs1 34a_100000211926_100015185245 [0,1,0,0,0,0|1,1,0]=3 764 B10R1.21 BrCCOCc1cscn1 34a_100000211926_100000205941 [0,1,0,0,0,0|2,0,0]=3 765 B10R1.21 BrCCOCc1ncc[nH]1 34a_100000211926_100016991755 [0,1,0,0,0,0|2,0,0]=3 766 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [0,1,0,0,0,0|1,0,0]=2 767 B10R1.21 BrCCOCc1nccs1 34a_100000211926_100015184050 [0,1,0,0,0,0|1,1,0]=3 768 B10R1.21 BrCCOCc1ncon1 34a_100000211926_100000233494 [0,1,0,0,0,0|3,0,0]=4 769 B10R1.21 BrCCOCn1cncn1 34a_100000211926_200020645497 [0,1,0,0,0,0|3,0,0]=4 770 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [0,1,0,0,0,0|1,0,2]=4 771 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [0,1,0,0,0,0|1,0,2]=4 772 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [0,1,0,0,0,0|1,0,1]=3 773 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [0,1,0,0,0,0|1,0,1]=3 774 B10R1.21 C#CCNCc1cccs1 2230a_100000211653_100000038162 [0,1,0,0,0,0|1,1,1]=4 775 B10R1.21 C#CCNCc1ncco1 2230a_100016994969_100000038162 [0,1,0,0,0,0|2,0,1]=4 776 B10R1.21 C#CCNCc1ncco1 34a_100000212058_103436540062 [0,1,0,0,0,0|2,0,1]=4 777 B10R1.21 C#CCOCc1c[nH]cn1 34a_100000210247_100000707719 [0,1,0,0,0,0|2,0,1]=4 778 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [0,1,0,0,0,0|0,0,1]=2 779 B10R1.21 C#CCOCc1cccs1 34a_100000211240_100000184674 [0,1,0,0,0,0|0,1,1]=3 780 B10R1.21 C#CCOCc1ccn[nH]1 34a_100000210247_100000728653 [0,1,0,0,0,0|2,0,1]=4 781 B10R1.21 C#CCOCc1ccno1 34a_100000740478_100000184674 [0,1,0,0,0,0|1,0,1]=3 782 B10R1.21 C#CCOCc1ccoc1 34a_100011215357_100000184674 [0,1,0,0,0,0|2,0,1]=4 783 B10R1.21 C#CCOCc1ccon1 34a_100000210247_100000234950 [0,1,0,0,0,0|2,0,1]=4 784 B10R1.21 C#CCOCc1ccsc1 34a_100000210247_100011261437 [0,1,0,0,0,0|2,0,1]=4 785 B10R1.21 C#CCOCc1ccsc1 34a_100011215551_100000184674 [0,1,0,0,0,0|2,0,1]=4 786 B10R1.21 C#CCOCc1cncs1 34a_100000210247_100015185245 [0,1,0,0,0,0|1,1,1]=4 787 B10R1.21 C#CCOCc1cscn1 34a_100000210247_100000205941 [0,1,0,0,0,0|2,0,1]=4 788 B10R1.21 C#CCOCc1ncc[nH]1 34a_100000210247_100016991755 [0,1,0,0,0,0|2,0,1]=4 789 B10R1.21 C#CCOCc1ncco1 34a_100000062594_100000184674 [0,1,0,0,0,0|1,0,1]=3 790 B10R1.21 C#CCOCc1ncco1 34a_100000210247_103436540062 [0,1,0,0,0,0|1,0,1]=3 791 B10R1.21 C#CCOCc1nccs1 34a_100000210247_100015184050 [0,1,0,0,0,0|1,1,1]=4 792 B10R1.21 C#CCOCn1cccn1 34a_100000731028_100000184674 [0,1,0,0,0,0|2,0,1]=4 793 B10R1.21 C#CCSCc1ncco1 62a_100000038162_103436540062 [0,1,0,0,0,0|1,1,1]=4 794 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [0,1,0,0,0,0|1,0,1]=3 795 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [0,1,0,0,0,0|1,0,1]=3 796 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [0,1,0,0,0,0|1,1,1]=4 797 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [0,1,0,0,0,0|1,1,1]=4 798 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [0,1,0,0,0,0|2,0,1]=4 799 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [0,1,0,0,0,0|2,0,1]=4 800 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [0,1,0,0,0,0|2,0,1]=4 801 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [0,1,0,0,0,0|2,0,1]=4 802 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [0,1,0,0,0,0|1,0,2]=4 803 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [0,1,0,0,0,0|1,0,2]=4 804 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [0,1,0,0,0,0|1,0,1]=3 805 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [0,1,0,0,0,0|1,0,1]=3 806 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [0,1,0,0,0,0|1,0,1]=3 807 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [0,1,0,0,0,0|1,1,1]=4 808 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [0,1,0,0,0,0|1,1,1]=4 809 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,1,0,0,0,0|2,0,1]=4 810 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [0,1,0,0,0,0|2,0,1]=4 811 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [0,1,0,0,0,0|2,0,1]=4 812 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [0,1,0,0,0,0|2,0,1]=4 813 B10R1.21 C=CCOCc1c[nH]cn1 34a_200000210373_100000707719 [0,1,0,0,0,0|2,0,1]=4 814 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [0,1,0,0,0,0|0,0,1]=2 815 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [0,1,0,0,0,0|0,1,1]=3 816 B10R1.21 C=CCOCc1ccn[nH]1 34a_200000210373_100000728653 [0,1,0,0,0,0|2,0,1]=4 817 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [0,1,0,0,0,0|1,0,1]=3 818 B10R1.21 C=CCOCc1ccoc1 34a_100011215357_100015514636 [0,1,0,0,0,0|2,0,1]=4 819 B10R1.21 C=CCOCc1ccon1 34a_200000210373_100000234950 [0,1,0,0,0,0|2,0,1]=4 820 B10R1.21 C=CCOCc1ccsc1 34a_100011215551_100015514636 [0,1,0,0,0,0|2,0,1]=4 821 B10R1.21 C=CCOCc1ccsc1 34a_200000210373_100011261437 [0,1,0,0,0,0|2,0,1]=4 822 B10R1.21 C=CCOCc1cncs1 34a_200000210373_100015185245 [0,1,0,0,0,0|1,1,1]=4 823 B10R1.21 C=CCOCc1cscn1 34a_200000210373_100000205941 [0,1,0,0,0,0|2,0,1]=4 824 B10R1.21 C=CCOCc1ncc[nH]1 34a_200000210373_100016991755 [0,1,0,0,0,0|2,0,1]=4 825 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [0,1,0,0,0,0|1,0,1]=3 826 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [0,1,0,0,0,0|1,0,1]=3 827 B10R1.21 C=CCOCc1nccs1 34a_200000210373_100015184050 [0,1,0,0,0,0|1,1,1]=4 828 B10R1.21 C=CCOCn1cccn1 34a_100000731028_100015514636 [0,1,0,0,0,0|2,0,1]=4 829 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [0,1,0,0,0,0|1,1,1]=4 830 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [0,1,0,0,0,0|1,1,1]=4 831 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [0,1,0,0,0,0|1,0,1]=3 832 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [0,1,0,0,0,0|1,0,1]=3 833 B10R1.21 CC#CCSc1cccs1 62a_100000748600_100011215356 [0,1,0,0,0,0|1,1,1]=4 834 B10R1.21 CC#CCSc1cccs1 62a_100011215356_100000748600 [0,1,0,0,0,0|1,1,1]=4 835 B10R1.21 CC#CCSc1cnco1 62a_100000748600_100020591547 [0,1,0,0,0,0|2,0,1]=4 836 B10R1.21 CC#CCSc1cnco1 62a_100020591547_100000748600 [0,1,0,0,0,0|2,0,1]=4 837 B10R1.21 CC#CCSc1ncco1 62a_100000748600_100011787736 [0,1,0,0,0,0|2,0,1]=4 838 B10R1.21 CC#CCSc1ncco1 62a_100011787736_100000748600 [0,1,0,0,0,0|2,0,1]=4 839 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [0,1,0,0,0,0|1,0,1]=3 840 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [0,1,0,0,0,0|1,0,1]=3 841 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [0,1,0,0,0,0|1,1,1]=4 842 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [0,1,0,0,0,0|1,1,1]=4 843 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [0,1,0,0,0,0|2,0,1]=4 844 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [0,1,0,0,0,0|2,0,1]=4 845 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [0,1,0,0,0,0|2,0,1]=4 846 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [0,1,0,0,0,0|2,0,1]=4 847 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [0,1,0,0,0,0|1,0,1]=3 848 B10R1.21 CCCC=Cc1cccs1 271570a_100016258520_100011215356 [0,1,0,0,0,0|1,1,1]=4 849 B10R1.21 CCCC=Cc1cnco1 271570a_100016258520_100020591547 [0,1,0,0,0,0|2,0,1]=4 850 B10R1.21 CCCC=Cc1ncco1 271570a_100016258520_100011787736 [0,1,0,0,0,0|2,0,1]=4 851 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,0,0,0|3,0,0]=4 852 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,0,0,0|3,0,0]=4 853 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [0,1,0,0,0,0|3,0,0]=4 854 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [0,1,0,0,0,0|3,0,0]=4 855 B10R1.21 CCCCSc1cc[nH]n1 62a_100000062575_100000210210 [0,1,0,0,0,0|3,0,0]=4 856 B10R1.21 CCCCSc1cc[nH]n1 62a_100000210211_100000062575 [0,1,0,0,0,0|3,0,0]=4 857 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,0,0,0|1,0,0]=2 858 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,0,0,0|1,0,0]=2 859 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,1,0,0,0,0|1,1,0]=3 860 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,1,0,0,0,0|1,1,0]=3 861 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,0,0,0|3,0,0]=4 862 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,0,0,0|3,0,0]=4 863 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,0,0,0|3,0,0]=4 864 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,0,0,0|3,0,0]=4 865 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,1,0,0,0,0|3,0,0]=4 866 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,1,0,0,0,0|3,0,0]=4 867 B10R1.21 CCCCSc1ccsn1 62a_100000210211_100009818082 [0,1,0,0,0,0|3,0,0]=4 868 B10R1.21 CCCCSc1ccsn1 62a_100009818082_100000210210 [0,1,0,0,0,0|3,0,0]=4 869 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,1,0,0,0,0|2,0,0]=3 870 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,1,0,0,0,0|2,0,0]=3 871 B10R1.21 CCCCSc1cncs1 62a_100000210211_100011934649 [0,1,0,0,0,0|2,1,0]=4 872 B10R1.21 CCCCSc1cncs1 62a_100011934649_100000210210 [0,1,0,0,0,0|2,1,0]=4 873 B10R1.21 CCCCSc1cscn1 62a_100000210211_100000751502 [0,1,0,0,0,0|3,0,0]=4 874 B10R1.21 CCCCSc1cscn1 62a_100000751502_100000210210 [0,1,0,0,0,0|3,0,0]=4 875 B10R1.21 CCCCSc1ncc[nH]1 62a_100000210211_100025796157 [0,1,0,0,0,0|3,0,0]=4 876 B10R1.21 CCCCSc1ncc[nH]1 62a_100025796157_100000210210 [0,1,0,0,0,0|3,0,0]=4 877 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,1,0,0,0,0|2,0,0]=3 878 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,1,0,0,0,0|2,0,0]=3 879 B10R1.21 CCCCSc1nccs1 62a_100000210211_100000211983 [0,1,0,0,0,0|2,1,0]=4 880 B10R1.21 CCCCSc1nccs1 62a_100000211983_100000210210 [0,1,0,0,0,0|2,1,0]=4 881 B10R1.21 CCCNCc1cc[nH]n1 207a_100020643023_100000738523 [0,1,0,0,0,0|3,0,0]=4 882 B10R1.21 CCCNCc1cc[nH]n1 270004a_100020643023_100000738523 [0,1,0,0,0,0|3,0,0]=4 883 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,0,0,0|1,0,0]=2 884 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,0,0,0|1,0,0]=2 885 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,0,0,0|1,0,0]=2 886 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,0,0,0|1,0,0]=2 887 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,1,0,0,0,0|1,1,0]=3 888 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,1,0,0,0,0|1,1,0]=3 889 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,1,0,0,0,0|1,1,0]=3 890 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,0,0,0|3,0,0]=4 891 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,0,0,0|3,0,0]=4 892 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,0,0,0|3,0,0]=4 893 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,0,0,0|3,0,0]=4 894 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,1,0,0,0,0|3,0,0]=4 895 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,1,0,0,0,0|3,0,0]=4 896 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,1,0,0,0,0|3,0,0]=4 897 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,1,0,0,0,0|3,0,0]=4 898 B10R1.21 CCCNCc1cnc[nH]1 207a_100020643023_100000742939 [0,1,0,0,0,0|3,0,0]=4 899 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,1,0,0,0,0|2,0,0]=3 900 B10R1.21 CCCNCc1cncs1 207a_100020643023_100000749870 [0,1,0,0,0,0|2,1,0]=4 901 B10R1.21 CCCNCc1cncs1 2230a_100016987365_100000210303 [0,1,0,0,0,0|2,1,0]=4 902 B10R1.21 CCCNCc1cncs1 270004a_100020643023_100000749870 [0,1,0,0,0,0|2,1,0]=4 903 B10R1.21 CCCNCc1cocn1 270004a_100020643023_100000050382 [0,1,0,0,0,0|3,0,0]=4 904 B10R1.21 CCCNCc1cscn1 207a_100020643023_100000743575 [0,1,0,0,0,0|3,0,0]=4 905 B10R1.21 CCCNCc1cscn1 2230a_100015185402_100000210303 [0,1,0,0,0,0|3,0,0]=4 906 B10R1.21 CCCNCc1cscn1 270004a_100020643023_100000743575 [0,1,0,0,0,0|3,0,0]=4 907 B10R1.21 CCCNCc1ncc[nH]1 207a_100020643023_100000743867 [0,1,0,0,0,0|3,0,0]=4 908 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,1,0,0,0,0|2,0,0]=3 909 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,1,0,0,0,0|2,0,0]=3 910 B10R1.21 CCCNCc1nccs1 207a_100020643023_100000750902 [0,1,0,0,0,0|2,1,0]=4 911 B10R1.21 CCCNCc1nccs1 2230a_100000740555_100000210303 [0,1,0,0,0,0|2,1,0]=4 912 B10R1.21 CCCNCc1nccs1 270004a_100020643023_100000750902 [0,1,0,0,0,0|2,1,0]=4 913 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [0,1,0,0,0,0|1,0,2]=4 914 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [0,1,0,0,0,0|2,0,0]=3 915 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,0,0,0|0,0,0]=1 916 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,0,0,0|0,1,0]=2 917 B10R1.21 CCCOCc1ccn[nH]1 34a_100000210258_100000728653 [0,1,0,0,0,0|2,0,0]=3 918 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,1,0,0,0,0|1,0,0]=2 919 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,0,0,0|2,0,0]=3 920 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,0,0,0|2,0,0]=3 921 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,0,0,0|2,0,0]=3 922 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,0,0,0|2,0,0]=3 923 B10R1.21 CCCOCc1cncs1 34a_100000210258_100015185245 [0,1,0,0,0,0|1,1,0]=3 924 B10R1.21 CCCOCc1cscn1 34a_100000210258_100000205941 [0,1,0,0,0,0|2,0,0]=3 925 B10R1.21 CCCOCc1ncc[nH]1 34a_100000210258_100016991755 [0,1,0,0,0,0|2,0,0]=3 926 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,1,0,0,0,0|1,0,0]=2 927 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,1,0,0,0,0|1,0,0]=2 928 B10R1.21 CCCOCc1nccs1 34a_100000210258_100015184050 [0,1,0,0,0,0|1,1,0]=3 929 B10R1.21 CCCOCc1ncon1 34a_100000210258_100000233494 [0,1,0,0,0,0|3,0,0]=4 930 B10R1.21 CCCOCn1cccn1 34a_100000731028_100000210303 [0,1,0,0,0,0|2,0,0]=3 931 B10R1.21 CCCOCn1cncn1 34a_100000210258_200020645497 [0,1,0,0,0,0|3,0,0]=4 932 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [0,1,0,0,0,0|2,1,0]=4 933 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [0,1,0,0,0,0|2,1,0]=4 934 B10R1.21 CCCSCc1ccn[nH]1 62a_100000210303_100000728653 [0,1,0,0,0,0|2,1,0]=4 935 B10R1.21 CCCSCc1ccn[nH]1 62a_100000728653_100000210303 [0,1,0,0,0,0|2,1,0]=4 936 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,0,0,0|2,1,0]=4 937 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,0,0,0|2,1,0]=4 938 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,1,0,0,0,0|2,1,0]=4 939 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,1,0,0,0,0|2,1,0]=4 940 B10R1.21 CCCSCc1cncs1 62a_100000210303_100015185245 [0,1,0,0,0,0|1,2,0]=4 941 B10R1.21 CCCSCc1cncs1 62a_100015185245_100000210303 [0,1,0,0,0,0|1,2,0]=4 942 B10R1.21 CCCSCc1cscn1 62a_100000205941_100000210303 [0,1,0,0,0,0|2,1,0]=4 943 B10R1.21 CCCSCc1cscn1 62a_100000210303_100000205941 [0,1,0,0,0,0|2,1,0]=4 944 B10R1.21 CCCSCc1ncc[nH]1 62a_100000210303_100016991755 [0,1,0,0,0,0|2,1,0]=4 945 B10R1.21 CCCSCc1ncc[nH]1 62a_100016991755_100000210303 [0,1,0,0,0,0|2,1,0]=4 946 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,0,0,0|1,1,0]=3 947 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,0,0,0|1,1,0]=3 948 B10R1.21 CCCSCc1nccs1 62a_100000210303_100015184050 [0,1,0,0,0,0|1,2,0]=4 949 B10R1.21 CCCSCc1nccs1 62a_100015184050_100000210303 [0,1,0,0,0,0|1,2,0]=4 950 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [0,1,0,0,0,0|3,0,0]=4 951 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,0,0,0|1,0,0]=2 952 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,0,0,0|1,0,0]=2 953 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,0,0,0|1,1,0]=3 954 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,0,0,0|1,1,0]=3 955 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,0,0,0|1,1,0]=3 956 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,0,0,0|3,0,0]=4 957 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,0,0,0|3,0,0]=4 958 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [0,1,0,0,0,0|2,1,0]=4 959 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [0,1,0,0,0,0|2,1,0]=4 960 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,1,0,0,0,0|3,0,0]=4 961 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [0,1,0,0,0,0|3,0,0]=4 963 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [0,1,0,0,0,0|3,0,0]=4 964 B10R1.21 CCNN=Cc1ccc[nH]1 4a_100000756455_100000211237 [0,1,0,0,0,0|2,0,1]=4 965 B10R1.21 CCNN=Cc1ccco1 4a_100000756455_100000186105 [0,1,0,0,0,0|1,0,1]=3 966 B10R1.21 CCNN=Cc1cccs1 4a_100000756455_100000209959 [0,1,0,0,0,0|1,1,1]=4 967 B10R1.21 CCNN=Cc1cnco1 4a_100000756455_100000064291 [0,1,0,0,0,0|2,0,1]=4 968 B10R1.21 CCNN=Cc1ncco1 4a_100000756455_100000064290 [0,1,0,0,0,0|2,0,1]=4 969 B10R1.21 CCOC=Cc1c[nH]cn1 271570a_100016256518_100000756875 [0,1,0,0,0,0|2,0,1]=4 970 B10R1.21 CCOC=Cc1cc[nH]n1 271570a_100016256518_100000062575 [0,1,0,0,0,0|2,0,1]=4 971 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [0,1,0,0,0,0|0,0,1]=2 972 B10R1.21 CCOC=Cc1cccs1 271570a_100016256518_100011215356 [0,1,0,0,0,0|0,1,1]=3 973 B10R1.21 CCOC=Cc1ccoc1 271570a_100016256518_100011215275 [0,1,0,0,0,0|2,0,1]=4 974 B10R1.21 CCOC=Cc1ccsc1 271570a_100016256518_100000738268 [0,1,0,0,0,0|2,0,1]=4 975 B10R1.21 CCOC=Cc1ccsn1 271570a_100016256518_100009818082 [0,1,0,0,0,0|2,0,1]=4 976 B10R1.21 CCOC=Cc1cnco1 271570a_100016256518_100020591547 [0,1,0,0,0,0|1,0,1]=3 977 B10R1.21 CCOC=Cc1cncs1 271570a_100016256518_100011934649 [0,1,0,0,0,0|1,1,1]=4 978 B10R1.21 CCOC=Cc1cscn1 271570a_100016256518_100000751502 [0,1,0,0,0,0|2,0,1]=4 979 B10R1.21 CCOC=Cc1ncc[nH]1 271570a_100016256518_100025796157 [0,1,0,0,0,0|2,0,1]=4 980 B10R1.21 CCOC=Cc1ncco1 271570a_100016256518_100011787736 [0,1,0,0,0,0|1,0,1]=3 981 B10R1.21 CCOC=Cc1nccs1 271570a_100016256518_100000211983 [0,1,0,0,0,0|1,1,1]=4 982 B10R1.21 CCOCCN1CC=CC1 269982a_100015195280_100011215890 [0,1,0,0,0,0|2,0,1]=4 983 B10R1.21 CCOCC[n+]1ccsc1 34a_200000100414_100000210202 [0,1,0,0,0,0|3,0,0]=4 984 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,1,0,0,0,0|0,1,0]=2 985 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,1,0,0,0,0|0,1,0]=2 986 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,1,0,0,0,0|0,1,0]=2 987 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,1,0,0,0,0|2,0,0]=3 988 B10R1.21 CCOCCc1cn[nH]c1 34a_100000766553_100000210202 [0,1,0,0,0,0|3,0,0]=4 989 B10R1.21 CCOCCc1cnoc1 34a_100000732699_100000210202 [0,1,0,0,0,0|3,0,0]=4 990 B10R1.21 CCOCCc1ncc[nH]1 34a_103549771195_100000210202 [0,1,0,0,0,0|2,0,0]=3 991 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,1,0,0,0,0|2,0,0]=3 992 B10R1.21 CCOCCn1cccn1 34a_100000743371_100000210202 [0,1,0,0,0,0|2,0,0]=3 993 B10R1.21 CCOCCn1cccn1 34a_100121572206_100015204718 [0,1,0,0,0,0|2,0,0]=3 994 B10R1.21 CCOCCn1ccnc1 34a_100000719764_100000210202 [0,1,0,0,0,0|3,0,0]=4 995 B10R1.21 CCOCCn1ccnn1 34a_100000080814_100000210202 [0,1,0,0,0,0|3,0,0]=4 996 B10R1.21 CCOCCn1cncn1 34a_100000745309_100000210202 [0,1,0,0,0,0|3,0,0]=4 997 B10R1.21 CCOCCn1cncn1 34a_100121572206_200000749826 [0,1,0,0,0,0|3,0,0]=4 998 B10R1.21 CCOCSc1c[nH]cn1 62a_100000739092_100000756875 [0,1,0,0,0,0|2,0,0]=3 999 B10R1.21 CCOCSc1c[nH]cn1 62a_100000756875_100000739092 [0,1,0,0,0,0|2,0,0]=3 1000 B10R1.21 CCOCSc1c[nH]nn1 62a_100000739092_100009819707 [0,1,0,0,0,0|3,0,0]=4 1001 B10R1.21 CCOCSc1c[nH]nn1 62a_100009819707_100000739092 [0,1,0,0,0,0|3,0,0]=4 1002 B10R1.21 CCOCSc1cc[nH]n1 62a_100000062575_100000739092 [0,1,0,0,0,0|2,0,0]=3 1003 B10R1.21 CCOCSc1cc[nH]n1 62a_100000739092_100000062575 [0,1,0,0,0,0|2,0,0]=3 1004 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [0,1,0,0,0,0|0,0,0]=1 1005 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [0,1,0,0,0,0|0,0,0]=1 1006 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [0,1,0,0,0,0|0,1,0]=2 1007 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [0,1,0,0,0,0|0,1,0]=2 1008 B10R1.21 CCOCSc1ccoc1 62a_100000739092_100011215275 [0,1,0,0,0,0|2,0,0]=3 1009 B10R1.21 CCOCSc1ccoc1 62a_100011215275_100000739092 [0,1,0,0,0,0|2,0,0]=3 1010 B10R1.21 CCOCSc1ccon1 62a_100000739092_100009818083 [0,1,0,0,0,0|2,0,0]=3 1011 B10R1.21 CCOCSc1ccon1 62a_100009818083_100000739092 [0,1,0,0,0,0|2,0,0]=3 1012 B10R1.21 CCOCSc1ccsc1 62a_100000738268_100000739092 [0,1,0,0,0,0|2,0,0]=3 1013 B10R1.21 CCOCSc1ccsc1 62a_100000739092_100000738268 [0,1,0,0,0,0|2,0,0]=3 1014 B10R1.21 CCOCSc1ccsn1 62a_100000739092_100009818082 [0,1,0,0,0,0|2,0,0]=3 1015 B10R1.21 CCOCSc1ccsn1 62a_100009818082_100000739092 [0,1,0,0,0,0|2,0,0]=3 1016 B10R1.21 CCOCSc1cn[nH]c1 62a_100000238712_100000739092 [0,1,0,0,0,0|3,0,0]=4 1017 B10R1.21 CCOCSc1cn[nH]c1 62a_100000739092_100000238712 [0,1,0,0,0,0|3,0,0]=4 1018 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [0,1,0,0,0,0|1,0,0]=2 1019 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [0,1,0,0,0,0|1,0,0]=2 1020 B10R1.21 CCOCSc1cncs1 62a_100000739092_100011934649 [0,1,0,0,0,0|1,1,0]=3 1021 B10R1.21 CCOCSc1cncs1 62a_100011934649_100000739092 [0,1,0,0,0,0|1,1,0]=3 1022 B10R1.21 CCOCSc1cnoc1 62a_100000739092_100009815712 [0,1,0,0,0,0|3,0,0]=4 1023 B10R1.21 CCOCSc1cnoc1 62a_100009815712_100000739092 [0,1,0,0,0,0|3,0,0]=4 1024 B10R1.21 CCOCSc1cnsc1 62a_100000739092_100009815736 [0,1,0,0,0,0|3,0,0]=4 1025 B10R1.21 CCOCSc1cnsc1 62a_100009815736_100000739092 [0,1,0,0,0,0|3,0,0]=4 1026 B10R1.21 CCOCSc1cscn1 62a_100000739092_100000751502 [0,1,0,0,0,0|2,0,0]=3 1027 B10R1.21 CCOCSc1cscn1 62a_100000751502_100000739092 [0,1,0,0,0,0|2,0,0]=3 1028 B10R1.21 CCOCSc1nc[nH]n1 62a_100000739092_100000761765 [0,1,0,0,0,0|3,0,0]=4 1029 B10R1.21 CCOCSc1nc[nH]n1 62a_100000761765_100000739092 [0,1,0,0,0,0|3,0,0]=4 1030 B10R1.21 CCOCSc1ncc[nH]1 62a_100000739092_100025796157 [0,1,0,0,0,0|2,0,0]=3 1031 B10R1.21 CCOCSc1ncc[nH]1 62a_100025796157_100000739092 [0,1,0,0,0,0|2,0,0]=3 1032 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [0,1,0,0,0,0|1,0,0]=2 1033 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [0,1,0,0,0,0|1,0,0]=2 1034 B10R1.21 CCOCSc1nccs1 62a_100000211983_100000739092 [0,1,0,0,0,0|1,1,0]=3 1035 B10R1.21 CCOCSc1nccs1 62a_100000739092_100000211983 [0,1,0,0,0,0|1,1,0]=3 1036 B10R1.21 CCOCSc1ncns1 62a_100000693119_100000739092 [0,1,0,0,0,0|2,1,0]=4 1037 B10R1.21 CCOCSc1ncns1 62a_100000739092_100000693119 [0,1,0,0,0,0|2,1,0]=4 1038 B10R1.21 CCOCSc1nncs1 62a_100000739092_100000739804 [0,1,0,0,0,0|2,1,0]=4 1039 B10R1.21 CCOCSc1nncs1 62a_100000739804_100000739092 [0,1,0,0,0,0|2,1,0]=4 1040 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [0,1,0,0,0,0|2,1,0]=4 1041 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [0,1,0,0,0,0|2,1,0]=4 1042 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,0,0,0|0,2,0]=3 1043 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,0,0,0|0,2,0]=3 1044 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,1,0,0,0,0|2,1,0]=4 1045 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,1,0,0,0,0|2,1,0]=4 1046 B10R1.21 CCSCCn1cccn1 62a_100000210202_100000685285 [0,1,0,0,0,0|2,1,0]=4 1047 B10R1.21 CCSCCn1cccn1 62a_100015204718_100000210202 [0,1,0,0,0,0|2,1,0]=4 1048 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [0,1,0,0,0,0|1,0,1]=3 1049 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,0,0,0|1,1,0]=3 1050 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,0,0,0|1,1,0]=3 1051 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,0,0,0|1,1,0]=3 1052 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,1,0,0,0,0|3,0,0]=4 1053 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,1,0,0,0,0|3,0,0]=4 1054 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,1,0,0,0,0|3,0,0]=4 1055 B10R1.21 CNCCCn1cccn1 2230a_106832991635_100000739983 [0,1,0,0,0,0|3,0,0]=4 1056 B10R1.21 CNCCCn1cccn1 7a_106832991635_100000739983 [0,1,0,0,0,0|3,0,0]=4 1057 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [0,1,0,0,0,0|1,0,1]=3 1058 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [0,1,0,0,0,0|1,1,1]=4 1059 B10R1.21 COCC=Cc1cnco1 271570a_100016286323_100020591547 [0,1,0,0,0,0|2,0,1]=4 1060 B10R1.21 COCC=Cc1ncco1 271570a_100016286323_100011787736 [0,1,0,0,0,0|2,0,1]=4 1061 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,0,0,0|1,1,0]=3 1062 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,0,0,0|1,1,0]=3 1063 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,0,0,0|1,1,0]=3 1064 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,0,0,0|3,0,0]=4 1065 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,0,0,0|3,0,0]=4 1066 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,1,0,0,0,0|3,0,0]=4 1067 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,1,0,0,0,0|3,0,0]=4 1068 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,1,0,0,0,0|3,0,0]=4 1069 B10R1.21 COCCCn1cccn1 34a_100000753614_200000210301 [0,1,0,0,0,0|3,0,0]=4 1070 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,1,0,0,0,0|2,0,0]=3 1071 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,1,0,0,0,0|2,0,0]=3 1072 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,1,0,0,0,0|2,1,0]=4 1073 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,1,0,0,0,0|2,1,0]=4 1074 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [0,1,0,0,0,0|3,0,0]=4 1075 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [0,1,0,0,0,0|3,0,0]=4 1076 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [0,1,0,0,0,0|3,0,0]=4 1077 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [0,1,0,0,0,0|3,0,0]=4 1078 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,1,0,0,0,0|1,0,0]=2 1079 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,1,0,0,0,0|1,1,0]=3 1080 B10R1.21 COCNCc1ccoc1 2230a_100015206860_100000766300 [0,1,0,0,0,0|3,0,0]=4 1081 B10R1.21 COCNCc1ccsc1 2230a_100000186416_100000766300 [0,1,0,0,0,0|3,0,0]=4 1082 B10R1.21 COCNCc1cncs1 2230a_100016987365_100000766300 [0,1,0,0,0,0|2,1,0]=4 1083 B10R1.21 COCNCc1cscn1 2230a_100015185402_100000766300 [0,1,0,0,0,0|3,0,0]=4 1084 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [0,1,0,0,0,0|2,0,0]=3 1085 B10R1.21 COCNCc1nccs1 2230a_100000740555_100000766300 [0,1,0,0,0,0|2,1,0]=4 1086 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [0,1,0,0,0,0|2,1,0]=4 1087 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [0,1,0,0,0,0|2,1,0]=4 1088 B10R1.21 COCSCc1ccn[nH]1 62a_100000728653_100000766300 [0,1,0,0,0,0|2,1,0]=4 1089 B10R1.21 COCSCc1ccn[nH]1 62a_100000766300_100000728653 [0,1,0,0,0,0|2,1,0]=4 1090 B10R1.21 COCSCc1ccon1 62a_100000234950_100000766300 [0,1,0,0,0,0|2,1,0]=4 1091 B10R1.21 COCSCc1ccon1 62a_100000766300_100000234950 [0,1,0,0,0,0|2,1,0]=4 1092 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,1,0,0,0,0|2,1,0]=4 1093 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,1,0,0,0,0|2,1,0]=4 1094 B10R1.21 COCSCc1cncs1 62a_100000766300_100015185245 [0,1,0,0,0,0|1,2,0]=4 1095 B10R1.21 COCSCc1cncs1 62a_100015185245_100000766300 [0,1,0,0,0,0|1,2,0]=4 1096 B10R1.21 COCSCc1cscn1 62a_100000205941_100000766300 [0,1,0,0,0,0|2,1,0]=4 1097 B10R1.21 COCSCc1cscn1 62a_100000766300_100000205941 [0,1,0,0,0,0|2,1,0]=4 1098 B10R1.21 COCSCc1ncc[nH]1 62a_100000766300_100016991755 [0,1,0,0,0,0|2,1,0]=4 1099 B10R1.21 COCSCc1ncc[nH]1 62a_100016991755_100000766300 [0,1,0,0,0,0|2,1,0]=4 1100 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [0,1,0,0,0,0|1,1,0]=3 1101 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [0,1,0,0,0,0|1,1,0]=3 1102 B10R1.21 COCSCc1nccs1 62a_100000766300_100015184050 [0,1,0,0,0,0|1,2,0]=4 1103 B10R1.21 COCSCc1nccs1 62a_100015184050_100000766300 [0,1,0,0,0,0|1,2,0]=4 1104 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,1,0,0,0,0|1,1,0]=3 1105 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,1,0,0,0,0|1,1,0]=3 1106 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,1,0,0,0,0|3,0,0]=4 1107 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,1,0,0,0,0|3,0,0]=4 1108 B10R1.21 CSCCCn1cccn1 62a_100000739983_200000210301 [0,1,0,0,0,0|3,0,0]=4 1109 B10R1.21 CSCCCn1cccn1 62a_200000210301_100000739983 [0,1,0,0,0,0|3,0,0]=4 1110 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [0,1,0,0,0,0|2,0,0]=3 1111 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [0,1,0,0,0,0|2,0,0]=3 1112 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [0,1,0,0,0,0|2,1,0]=4 1113 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [0,1,0,0,0,0|2,1,0]=4 1114 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [0,1,0,0,0,0|3,0,0]=4 1115 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [0,1,0,0,0,0|3,0,0]=4 1116 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [0,1,0,0,0,0|3,0,0]=4 1117 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [0,1,0,0,0,0|3,0,0]=4 1118 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [0,1,0,0,0,0|1,0,0]=2 1119 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [0,1,0,0,0,0|1,0,0]=2 1120 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [0,1,0,0,0,0|1,1,0]=3 1121 B10R1.21 CSCNCc1ccoc1 2230a_100015206860_100011218213 [0,1,0,0,0,0|3,0,0]=4 1122 B10R1.21 CSCNCc1ccoc1 34a_100015206860_100011218213 [0,1,0,0,0,0|3,0,0]=4 1123 B10R1.21 CSCNCc1ccsc1 2230a_100000186416_100011218213 [0,1,0,0,0,0|3,0,0]=4 1124 B10R1.21 CSCNCc1ccsc1 34a_100000186416_100011218213 [0,1,0,0,0,0|3,0,0]=4 1125 B10R1.21 CSCNCc1cncs1 2230a_100016987365_100011218213 [0,1,0,0,0,0|2,1,0]=4 1126 B10R1.21 CSCNCc1cscn1 2230a_100015185402_100011218213 [0,1,0,0,0,0|3,0,0]=4 1127 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [0,1,0,0,0,0|2,0,0]=3 1128 B10R1.21 CSCNCc1nccs1 2230a_100000740555_100011218213 [0,1,0,0,0,0|2,1,0]=4 1129 B10R1.21 CSCOCC1CC=CC1 34a_100000688395_100011218213 [0,1,0,0,0,0|1,0,2]=4 1130 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [0,1,0,0,0,0|0,0,0]=1 1131 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [0,1,0,0,0,0|0,1,0]=2 1132 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [0,1,0,0,0,0|1,0,0]=2 1133 B10R1.21 CSCOCc1ccoc1 34a_100011215357_100011218213 [0,1,0,0,0,0|2,0,0]=3 1134 B10R1.21 CSCOCc1ccsc1 34a_100011215551_100011218213 [0,1,0,0,0,0|2,0,0]=3 1135 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [0,1,0,0,0,0|1,0,0]=2 1136 B10R1.21 CSCOCn1cccn1 34a_100000731028_100011218213 [0,1,0,0,0,0|2,0,0]=3 1137 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [0,1,0,0,0,0|2,1,0]=4 1138 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [0,1,0,0,0,0|2,1,0]=4 1139 B10R1.21 CSCSCc1ccn[nH]1 62a_100000728653_100011218213 [0,1,0,0,0,0|2,1,0]=4 1140 B10R1.21 CSCSCc1ccn[nH]1 62a_100011218213_100000728653 [0,1,0,0,0,0|2,1,0]=4 1141 B10R1.21 CSCSCc1ccon1 62a_100000234950_100011218213 [0,1,0,0,0,0|2,1,0]=4 1142 B10R1.21 CSCSCc1ccon1 62a_100011218213_100000234950 [0,1,0,0,0,0|2,1,0]=4 1143 B10R1.21 CSCSCc1ccsc1 62a_100011218213_100011233845 [0,1,0,0,0,0|2,1,0]=4 1144 B10R1.21 CSCSCc1ccsc1 62a_100011261437_100011218213 [0,1,0,0,0,0|2,1,0]=4 1145 B10R1.21 CSCSCc1cncs1 62a_100011218213_100015185245 [0,1,0,0,0,0|1,2,0]=4 1146 B10R1.21 CSCSCc1cncs1 62a_100015185245_100011218213 [0,1,0,0,0,0|1,2,0]=4 1147 B10R1.21 CSCSCc1cscn1 62a_100000205941_100011218213 [0,1,0,0,0,0|2,1,0]=4 1148 B10R1.21 CSCSCc1cscn1 62a_100011218213_100000205941 [0,1,0,0,0,0|2,1,0]=4 1149 B10R1.21 CSCSCc1ncc[nH]1 62a_100011218213_100016991755 [0,1,0,0,0,0|2,1,0]=4 1150 B10R1.21 CSCSCc1ncc[nH]1 62a_100016991755_100011218213 [0,1,0,0,0,0|2,1,0]=4 1151 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [0,1,0,0,0,0|1,1,0]=3 1152 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [0,1,0,0,0,0|1,1,0]=3 1153 B10R1.21 CSCSCc1nccs1 62a_100011218213_100015184050 [0,1,0,0,0,0|1,2,0]=4 1154 B10R1.21 CSCSCc1nccs1 62a_100015184050_100011218213 [0,1,0,0,0,0|1,2,0]=4 1155 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,1,0,0,0,0|2,0,0]=3 1156 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,1,0,0,0,0|2,0,0]=3 1157 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,1,0,0,0,0|2,1,0]=4 1158 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,1,0,0,0,0|2,1,0]=4 1159 B10R1.21 FCCCSc1cnco1 62a_100011934791_100020591547 [0,1,0,0,0,0|3,0,0]=4 1160 B10R1.21 FCCCSc1cnco1 62a_100020591547_100011934791 [0,1,0,0,0,0|3,0,0]=4 1161 B10R1.21 FCCCSc1ncco1 62a_100011787736_100011934791 [0,1,0,0,0,0|3,0,0]=4 1162 B10R1.21 FCCCSc1ncco1 62a_100011934791_100011787736 [0,1,0,0,0,0|3,0,0]=4 1163 B10R1.21 FCCNCc1c[nH]cn1 34a_100000724931_100000707719 [0,1,0,0,0,0|3,0,0]=4 1164 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,1,0,0,0,0|1,0,0]=2 1165 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,1,0,0,0,0|1,0,0]=2 1166 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,1,0,0,0,0|1,1,0]=3 1167 B10R1.21 FCCNCc1ccn[nH]1 34a_100000724931_100000728653 [0,1,0,0,0,0|3,0,0]=4 1168 B10R1.21 FCCNCc1ccoc1 2230a_100015206860_100011217306 [0,1,0,0,0,0|3,0,0]=4 1169 B10R1.21 FCCNCc1ccoc1 34a_100015206860_100011217306 [0,1,0,0,0,0|3,0,0]=4 1170 B10R1.21 FCCNCc1ccon1 34a_100000724931_100000234950 [0,1,0,0,0,0|3,0,0]=4 1171 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [0,1,0,0,0,0|3,0,0]=4 1172 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [0,1,0,0,0,0|3,0,0]=4 1173 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [0,1,0,0,0,0|3,0,0]=4 1174 B10R1.21 FCCNCc1cncs1 2230a_100016987365_100011217306 [0,1,0,0,0,0|2,1,0]=4 1175 B10R1.21 FCCNCc1cncs1 34a_100000724931_100015185245 [0,1,0,0,0,0|2,1,0]=4 1176 B10R1.21 FCCNCc1cscn1 2230a_100015185402_100011217306 [0,1,0,0,0,0|3,0,0]=4 1177 B10R1.21 FCCNCc1cscn1 34a_100000724931_100000205941 [0,1,0,0,0,0|3,0,0]=4 1178 B10R1.21 FCCNCc1ncc[nH]1 34a_100000724931_100016991755 [0,1,0,0,0,0|3,0,0]=4 1179 B10R1.21 FCCNCc1ncco1 2230a_100016994969_100011217306 [0,1,0,0,0,0|2,0,0]=3 1180 B10R1.21 FCCNCc1ncco1 34a_100000724931_103436540062 [0,1,0,0,0,0|2,0,0]=3 1181 B10R1.21 FCCNCc1nccs1 2230a_100000740555_100011217306 [0,1,0,0,0,0|2,1,0]=4 1182 B10R1.21 FCCNCc1nccs1 34a_100000724931_100015184050 [0,1,0,0,0,0|2,1,0]=4 1183 B10R1.21 FCCOCC1CC=CC1 34a_100000688395_100011217306 [0,1,0,0,0,0|1,0,2]=4 1184 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,1,0,0,0,0|0,0,0]=1 1185 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,1,0,0,0,0|0,1,0]=2 1186 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [0,1,0,0,0,0|1,0,0]=2 1187 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,1,0,0,0,0|2,0,0]=3 1188 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,1,0,0,0,0|2,0,0]=3 1189 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [0,1,0,0,0,0|1,0,0]=2 1190 B10R1.21 FCCOCn1cccn1 34a_100000731028_100011217306 [0,1,0,0,0,0|2,0,0]=3 1191 B10R1.21 FCCSCc1c[nH]cn1 62a_100000707719_100011217306 [0,1,0,0,0,0|2,1,0]=4 1192 B10R1.21 FCCSCc1c[nH]cn1 62a_100011217306_100000707719 [0,1,0,0,0,0|2,1,0]=4 1193 B10R1.21 FCCSCc1ccn[nH]1 62a_100000728653_100011217306 [0,1,0,0,0,0|2,1,0]=4 1194 B10R1.21 FCCSCc1ccn[nH]1 62a_100011217306_100000728653 [0,1,0,0,0,0|2,1,0]=4 1195 B10R1.21 FCCSCc1ccon1 62a_100000234950_100011217306 [0,1,0,0,0,0|2,1,0]=4 1196 B10R1.21 FCCSCc1ccon1 62a_100011217306_100000234950 [0,1,0,0,0,0|2,1,0]=4 1197 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,1,0,0,0,0|2,1,0]=4 1198 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,1,0,0,0,0|2,1,0]=4 1199 B10R1.21 FCCSCc1cncs1 62a_100011217306_100015185245 [0,1,0,0,0,0|1,2,0]=4 1200 B10R1.21 FCCSCc1cncs1 62a_100015185245_100011217306 [0,1,0,0,0,0|1,2,0]=4 1201 B10R1.21 FCCSCc1cscn1 62a_100000205941_100011217306 [0,1,0,0,0,0|2,1,0]=4 1202 B10R1.21 FCCSCc1cscn1 62a_100011217306_100000205941 [0,1,0,0,0,0|2,1,0]=4 1203 B10R1.21 FCCSCc1ncc[nH]1 62a_100011217306_100016991755 [0,1,0,0,0,0|2,1,0]=4 1204 B10R1.21 FCCSCc1ncc[nH]1 62a_100016991755_100011217306 [0,1,0,0,0,0|2,1,0]=4 1205 B10R1.21 FCCSCc1ncco1 62a_100011217306_103436540062 [0,1,0,0,0,0|1,1,0]=3 1206 B10R1.21 FCCSCc1ncco1 62a_103436540062_100011217306 [0,1,0,0,0,0|1,1,0]=3 1207 B10R1.21 FCCSCc1nccs1 62a_100011217306_100015184050 [0,1,0,0,0,0|1,2,0]=4 1208 B10R1.21 FCCSCc1nccs1 62a_100015184050_100011217306 [0,1,0,0,0,0|1,2,0]=4 1209 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,1,0,0,0,0|2,0,0]=3 1210 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,1,0,0,0,0|2,1,0]=4 1211 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,1,0,0,0,0|1,1,0]=3 1212 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,1,0,0,0,0|1,1,0]=3 1213 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,1,0,0,0,0|3,0,0]=4 1214 B10R1.21 FCOCCc1ncc[nH]1 34a_103549771195_100015361967 [0,1,0,0,0,0|3,0,0]=4 1215 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,1,0,0,0,0|3,0,0]=4 1216 B10R1.21 FCOCCn1cccn1 34a_100000743371_100015361967 [0,1,0,0,0,0|3,0,0]=4 1217 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,1,0,0,0,0|1,2,0]=4 1218 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,1,0,0,0,0|1,2,0]=4 1219 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [0,1,0,0,0,0|2,0,1]=4 1220 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [0,1,0,0,0,0|2,0,1]=4 1221 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [0,1,0,0,0,0|1,0,1]=3 1222 B10R1.21 N#CCNCc1cccs1 2230a_100000211653_100011215382 [0,1,0,0,0,0|1,1,1]=4 1223 B10R1.21 N#CCNCc1ncco1 2230a_100016994969_100011215382 [0,1,0,0,0,0|2,0,1]=4 1224 B10R1.21 N#CCSCc1ncco1 62a_100011215382_103436540062 [0,1,0,0,0,0|1,1,1]=4 1225 B10R1.21 N#CCSCc1ncco1 62a_103436540062_100011215382 [0,1,0,0,0,0|1,1,1]=4 1226 B10R1.21 N#CSCSc1ccco1 62a_100000211825_100009814098 [0,1,0,0,0,0|1,1,1]=4 1227 B10R1.21 N#CSCSc1ccco1 62a_100009814098_100000211825 [0,1,0,0,0,0|1,1,1]=4 1228 B10R1.21 NCCOCc1c[nH]cn1 34a_100000210304_100000707719 [0,1,0,0,0,0|2,0,0]=3 1229 B10R1.21 NCCOCc1ccn[nH]1 34a_100000210304_100000728653 [0,1,0,0,0,0|2,0,0]=3 1230 B10R1.21 NCCOCc1ccon1 34a_100000210304_100000234950 [0,1,0,0,0,0|2,0,0]=3 1231 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,1,0,0,0,0|2,0,0]=3 1232 B10R1.21 NCCOCc1cncs1 34a_100000210304_100015185245 [0,1,0,0,0,0|1,1,0]=3 1233 B10R1.21 NCCOCc1cscn1 34a_100000210304_100000205941 [0,1,0,0,0,0|2,0,0]=3 1234 B10R1.21 NCCOCc1ncc[nH]1 34a_100000210304_100016991755 [0,1,0,0,0,0|2,0,0]=3 1235 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [0,1,0,0,0,0|1,0,0]=2 1236 B10R1.21 NCCOCc1nccs1 34a_100000210304_100015184050 [0,1,0,0,0,0|1,1,0]=3 1237 B10R1.21 NCCOCc1ncon1 34a_100000210304_100000233494 [0,1,0,0,0,0|3,0,0]=4 1238 B10R1.21 NCCOCn1cncn1 34a_100000210304_200020645497 [0,1,0,0,0,0|3,0,0]=4 1239 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [0,1,0,0,0,0|1,0,1]=3 1240 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [0,1,0,0,0,0|1,0,1]=3 1241 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [0,1,0,0,0,0|1,1,1]=4 1242 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [0,1,0,0,0,0|2,0,1]=4 1243 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [0,1,0,0,0,0|0,0,1]=2 1244 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [0,1,0,0,0,0|0,1,1]=3 1245 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [0,1,0,0,0,0|1,0,1]=3 1246 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [0,1,0,0,0,0|2,0,1]=4 1247 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [0,1,0,0,0,0|2,0,1]=4 1248 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [0,1,0,0,0,0|1,0,1]=3 1249 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [0,1,0,0,0,0|2,0,1]=4 1250 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [0,1,0,0,0,0|1,1,1]=4 1251 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [0,1,0,0,0,0|1,1,1]=4 1252 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,1,0,0,0,0|2,0,0]=3 1253 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,1,0,0,0,0|2,0,0]=3 1254 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,1,0,0,0,0|2,1,0]=4 1255 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,1,0,0,0,0|2,1,0]=4 1256 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [0,1,0,0,0,0|3,0,0]=4 1257 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [0,1,0,0,0,0|3,0,0]=4 1258 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [0,1,0,0,0,0|3,0,0]=4 1259 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [0,1,0,0,0,0|3,0,0]=4 1260 B10R1.21 OCCNCc1c[nH]cn1 2230a_100016997473_100000707719 [0,1,0,0,0,0|3,0,0]=4 1261 B10R1.21 OCCNCc1c[nH]cn1 34a_100016990907_100000707719 [0,1,0,0,0,0|3,0,0]=4 1262 B10R1.21 OCCNCc1cc[nH]n1 207a_100000210304_100000738523 [0,1,0,0,0,0|3,0,0]=4 1263 B10R1.21 OCCNCc1cc[nH]n1 270004a_100000210304_100000738523 [0,1,0,0,0,0|3,0,0]=4 1264 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,1,0,0,0,0|1,0,0]=2 1265 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,1,0,0,0,0|1,0,0]=2 1266 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,1,0,0,0,0|1,0,0]=2 1267 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,1,0,0,0,0|1,0,0]=2 1268 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,1,0,0,0,0|1,1,0]=3 1269 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,1,0,0,0,0|1,1,0]=3 1270 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,1,0,0,0,0|1,1,0]=3 1271 B10R1.21 OCCNCc1ccn[nH]1 2230a_100016997473_100000728653 [0,1,0,0,0,0|3,0,0]=4 1272 B10R1.21 OCCNCc1ccn[nH]1 34a_100016990907_100000728653 [0,1,0,0,0,0|3,0,0]=4 1273 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,1,0,0,0,0|3,0,0]=4 1274 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,1,0,0,0,0|3,0,0]=4 1275 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,1,0,0,0,0|3,0,0]=4 1276 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,1,0,0,0,0|3,0,0]=4 1277 B10R1.21 OCCNCc1ccon1 2230a_100016997473_100000234950 [0,1,0,0,0,0|3,0,0]=4 1278 B10R1.21 OCCNCc1ccon1 34a_100016990907_100000234950 [0,1,0,0,0,0|3,0,0]=4 1279 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,1,0,0,0,0|3,0,0]=4 1280 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,1,0,0,0,0|3,0,0]=4 1281 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,1,0,0,0,0|3,0,0]=4 1282 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,1,0,0,0,0|3,0,0]=4 1283 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,1,0,0,0,0|3,0,0]=4 1284 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,1,0,0,0,0|3,0,0]=4 1285 B10R1.21 OCCNCc1cnc[nH]1 207a_100000210304_100000742939 [0,1,0,0,0,0|3,0,0]=4 1286 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [0,1,0,0,0,0|2,0,0]=3 1287 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [0,1,0,0,0,0|2,1,0]=4 1288 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [0,1,0,0,0,0|2,1,0]=4 1289 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [0,1,0,0,0,0|2,1,0]=4 1290 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [0,1,0,0,0,0|2,1,0]=4 1291 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [0,1,0,0,0,0|2,1,0]=4 1292 B10R1.21 OCCNCc1cocn1 270004a_100000210304_100000050382 [0,1,0,0,0,0|3,0,0]=4 1293 B10R1.21 OCCNCc1cscn1 207a_100000210304_100000743575 [0,1,0,0,0,0|3,0,0]=4 1294 B10R1.21 OCCNCc1cscn1 2230a_100015185402_100000211926 [0,1,0,0,0,0|3,0,0]=4 1295 B10R1.21 OCCNCc1cscn1 2230a_100016997473_100000205941 [0,1,0,0,0,0|3,0,0]=4 1296 B10R1.21 OCCNCc1cscn1 270004a_100000210304_100000743575 [0,1,0,0,0,0|3,0,0]=4 1297 B10R1.21 OCCNCc1cscn1 34a_100016990907_100000205941 [0,1,0,0,0,0|3,0,0]=4 1298 B10R1.21 OCCNCc1ncc[nH]1 207a_100000210304_100000743867 [0,1,0,0,0,0|3,0,0]=4 1299 B10R1.21 OCCNCc1ncc[nH]1 2230a_100016997473_100016991755 [0,1,0,0,0,0|3,0,0]=4 1300 B10R1.21 OCCNCc1ncc[nH]1 34a_100016990907_100016991755 [0,1,0,0,0,0|3,0,0]=4 1301 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [0,1,0,0,0,0|2,0,0]=3 1302 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [0,1,0,0,0,0|2,0,0]=3 1303 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [0,1,0,0,0,0|2,0,0]=3 1304 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [0,1,0,0,0,0|2,0,0]=3 1305 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [0,1,0,0,0,0|2,1,0]=4 1306 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [0,1,0,0,0,0|2,1,0]=4 1307 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [0,1,0,0,0,0|2,1,0]=4 1308 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [0,1,0,0,0,0|2,1,0]=4 1309 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [0,1,0,0,0,0|2,1,0]=4 1310 B10R1.21 OCCOCC1CC=CC1 34a_100000688395_100000211926 [0,1,0,0,0,0|1,0,2]=4 1311 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,1,0,0,0,0|0,0,0]=1 1312 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,1,0,0,0,0|0,1,0]=2 1313 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,1,0,0,0,0|1,0,0]=2 1314 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,1,0,0,0,0|2,0,0]=3 1315 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,1,0,0,0,0|2,0,0]=3 1316 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,1,0,0,0,0|1,0,0]=2 1317 B10R1.21 OCCOCn1cccn1 34a_100000731028_100000211926 [0,1,0,0,0,0|2,0,0]=3 1318 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [0,1,0,0,0,0|2,1,0]=4 1319 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [0,1,0,0,0,0|2,1,0]=4 1320 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [0,1,0,0,0,0|2,1,0]=4 1321 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [0,1,0,0,0,0|2,1,0]=4 1322 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [0,1,0,0,0,0|2,1,0]=4 1323 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [0,1,0,0,0,0|2,1,0]=4 1324 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,1,0,0,0,0|2,1,0]=4 1325 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,1,0,0,0,0|2,1,0]=4 1326 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,1,0,0,0,0|1,2,0]=4 1327 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,1,0,0,0,0|1,2,0]=4 1328 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [0,1,0,0,0,0|2,1,0]=4 1329 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [0,1,0,0,0,0|2,1,0]=4 1330 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [0,1,0,0,0,0|2,1,0]=4 1331 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [0,1,0,0,0,0|2,1,0]=4 1332 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,1,0,0,0,0|1,1,0]=3 1333 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,1,0,0,0,0|1,1,0]=3 1334 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,1,0,0,0,0|1,2,0]=4 1335 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,1,0,0,0,0|1,2,0]=4 1336 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,0,0,0|1,1,0]=3 1337 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,0,0,0|1,1,0]=3 1338 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,0,0,0|3,0,0]=4 1339 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,0,0,0|3,0,0]=4 1340 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,1,0,0,0,0|3,0,0]=4 1341 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,1,0,0,0,0|3,0,0]=4 1342 B10R1.21 [13CH3]OCCCn1cccn1 34a_100000753614_200025704644 [0,1,0,0,0,0|3,0,0]=4 1343 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,1,0,0,0,0|1,1,0]=3 1344 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,1,0,0,0,0|1,1,0]=3 1345 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,1,0,0,0,0|3,0,0]=4 1346 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,1,0,0,0,0|3,0,0]=4 1347 B10R1.21 [13CH3]SCCCn1cccn1 62a_100000739983_200025704644 [0,1,0,0,0,0|3,0,0]=4 1348 B10R1.21 [13CH3]SCCCn1cccn1 62a_200025704644_100000739983 [0,1,0,0,0,0|3,0,0]=4 1349 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,1,0,0,0,0|3,0,0]=4 1350 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,1,0,0,0,0|2,0,0]=3 1351 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,1,0,0,0,0|2,0,0]=3 1352 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,1,0,0,0,0|2,1,0]=4 1353 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,0,0|3,0,0]=4 1354 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,0,0|3,0,0]=4 1355 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,0,0|2,0,0]=3 1356 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,0|1,0,0]=2 1357 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,0,0|1,1,0]=3 1358 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,1,0,0,0,0|3,0,0]=4 1359 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,1,0,0,0,0|3,0,0]=4 1360 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,0,0|3,0,0]=4 1361 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,1,0,0,0,0|3,0,0]=4 1362 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,0,0|3,0,0]=4 1363 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,0,0|3,0,0]=4 1364 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,1,0,0,0,0|2,1,0]=4 1365 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,0,0|3,0,0]=4 1366 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,0,0|3,0,0]=4 1367 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,1,0,0,0,0|2,0,0]=3 1368 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,0,0|2,1,0]=4 1369 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,0,0|3,0,0]=4 1370 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,1,0,0,0,0|3,0,0]=4 1371 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,1,0,0,0,0|2,0,0]=3 1372 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,1,0,0,0,0|2,0,0]=3 1373 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,1,0,0,0,0|2,1,0]=4 1374 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,1,0,0,0,0|2,1,0]=4 1375 B10R1.27 CCC(C)Sc1cnco1 62a_100000758301_100020591547 [0,1,0,0,0,0|3,0,0]=4 1376 B10R1.27 CCC(C)Sc1cnco1 62a_100020591547_100000758301 [0,1,0,0,0,0|3,0,0]=4 1377 B10R1.27 CCC(C)Sc1ncco1 62a_100000758301_100011787736 [0,1,0,0,0,0|3,0,0]=4 1378 B10R1.27 CCC(C)Sc1ncco1 62a_100011787736_100000758301 [0,1,0,0,0,0|3,0,0]=4 1379 B10R1.27 CCN(C)Cc1c[nH]cn1 2230a_100000225621_100000707719 [0,1,0,0,0,0|3,0,0]=4 1380 B10R1.27 CCN(C)Cc1c[nH]cn1 269982a_100000225621_100000707719 [0,1,0,0,0,0|3,0,0]=4 1381 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,1,0,0,0,0|1,0,0]=2 1382 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,1,0,0,0,0|1,0,0]=2 1383 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,1,0,0,0,0|1,0,0]=2 1384 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,1,0,0,0,0|1,0,0]=2 1385 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,1,0,0,0,0|1,1,0]=3 1386 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,1,0,0,0,0|1,1,0]=3 1387 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,1,0,0,0,0|1,1,0]=3 1388 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,1,0,0,0,0|1,1,0]=3 1389 B10R1.27 CCN(C)Cc1ccn[nH]1 2230a_100000225621_100000728653 [0,1,0,0,0,0|3,0,0]=4 1390 B10R1.27 CCN(C)Cc1ccn[nH]1 269982a_100000225621_100000728653 [0,1,0,0,0,0|3,0,0]=4 1391 B10R1.27 CCN(C)Cc1ccon1 2230a_100000225621_100000234950 [0,1,0,0,0,0|3,0,0]=4 1392 B10R1.27 CCN(C)Cc1ccon1 2230a_100000757864_100000210202 [0,1,0,0,0,0|3,0,0]=4 1393 B10R1.27 CCN(C)Cc1ccon1 269982a_100000225621_100000234950 [0,1,0,0,0,0|3,0,0]=4 1394 B10R1.27 CCN(C)Cc1ccon1 269982a_100000757864_100000204670 [0,1,0,0,0,0|3,0,0]=4 1395 B10R1.27 CCN(C)Cc1ccsc1 2230a_100000225621_100011261437 [0,1,0,0,0,0|3,0,0]=4 1396 B10R1.27 CCN(C)Cc1ccsc1 2230a_100020654213_100000210202 [0,1,0,0,0,0|3,0,0]=4 1397 B10R1.27 CCN(C)Cc1ccsc1 269982a_100000225621_100011233845 [0,1,0,0,0,0|3,0,0]=4 1398 B10R1.27 CCN(C)Cc1ccsc1 269982a_100020654213_100000204670 [0,1,0,0,0,0|3,0,0]=4 1399 B10R1.27 CCN(C)Cc1cncs1 2230a_100000225621_100015185245 [0,1,0,0,0,0|2,1,0]=4 1400 B10R1.27 CCN(C)Cc1cncs1 269982a_100000225621_100015185245 [0,1,0,0,0,0|2,1,0]=4 1401 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225621_100000205941 [0,1,0,0,0,0|3,0,0]=4 1402 B10R1.27 CCN(C)Cc1cscn1 2230a_100000225794_100000210202 [0,1,0,0,0,0|3,0,0]=4 1403 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225621_100000205941 [0,1,0,0,0,0|3,0,0]=4 1404 B10R1.27 CCN(C)Cc1cscn1 269982a_100000225794_100000204670 [0,1,0,0,0,0|3,0,0]=4 1405 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100000225621_100016991755 [0,1,0,0,0,0|3,0,0]=4 1406 B10R1.27 CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210202 [0,1,0,0,0,0|3,0,0]=4 1407 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100000225621_100016991755 [0,1,0,0,0,0|3,0,0]=4 1408 B10R1.27 CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204670 [0,1,0,0,0,0|3,0,0]=4 1409 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,1,0,0,0,0|2,0,0]=3 1410 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,1,0,0,0,0|2,0,0]=3 1411 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,1,0,0,0,0|2,1,0]=4 1412 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,1,0,0,0,0|2,1,0]=4 1413 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,1,0,0,0,0|2,1,0]=4 1414 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,1,0,0,0,0|2,1,0]=4 1415 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,1,0,0,0,0|1,0,0]=2 1416 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,1,0,0,0,0|1,0,0]=2 1417 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,1,0,0,0,0|1,1,0]=3 1418 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,1,0,0,0,0|1,1,0]=3 1419 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,1,0,0,0,0|2,0,0]=3 1420 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,1,0,0,0,0|2,1,0]=4 1421 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,0,0|3,0,0]=4 1422 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,0,0|3,0,0]=4 1423 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,0,0|3,0,0]=4 1424 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,0|2,0,0]=3 1425 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,0|2,0,0]=3 1426 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,0,0|2,1,0]=4 1427 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,0,0|2,1,0]=4 1428 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,0,0|2,1,0]=4 1429 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,0,0|2,0,0]=3 1430 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,1,0,0,0,0|2,1,0]=4 1431 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,1,0,0,0,0|2,0,0]=3 1432 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,1,0,0,0,0|2,0,0]=3 1433 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,1,0,0,0,0|3,0,0]=4 1434 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,1,0,0,0,0|3,0,0]=4 1435 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,1,0,0,0,0|3,0,0]=4 1436 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,1,0,0,0,0|3,0,0]=4 1437 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,0,0|3,0,0]=4 1438 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,0|2,0,0]=3 1439 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,0,0|2,1,0]=4 1440 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,0|3,0,0]=4 1441 B10R1.29 CCCCc1[nH]cnc1Cl 271570a_100020621405_100010200774 [0,1,0,0,0,0|3,0,0]=4 1442 B10R1.29 CCCCc1ccnn1C 271570a_100020621405_100000688441 [0,1,0,0,0,0|3,0,0]=4 1443 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,0,0,0|3,0,0]=4 1444 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,0,0,0|3,0,0]=4 1445 B10R1.29 CCCCc1cncn1C 271570a_100020621405_100009814087 [0,1,0,0,0,0|3,0,0]=4 1446 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,1,0,0,0,0|3,0,0]=4 1447 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,0,0,0|3,0,0]=4 1448 B10R1.29 CCCCc1n[nH]cc1Br 271570a_100020621405_100015839836 [0,1,0,0,0,0|3,0,0]=4 1449 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [0,1,0,0,0,0|3,0,0]=4 1450 B10R1.29 CCCCc1n[nH]cc1N 271570a_100020621405_100010894806 [0,1,0,0,0,0|3,0,0]=4 1451 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [0,1,0,0,0,0|3,0,0]=4 1452 B10R1.29 CCCCc1nccn1C 271570a_100020621405_100000707724 [0,1,0,0,0,0|3,0,0]=4 1453 B10R1.29 CCCCc1ncsc1C 271570a_100020621405_100000732656 [0,1,0,0,0,0|3,0,0]=4 1454 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,0,0,0|1,1,0]=3 1455 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,0,0,0|1,1,0]=3 1456 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [0,1,0,0,0,0|2,1,0]=4 1457 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,0,0,0|3,0,0]=4 1458 B10R1.29 CCCSc1sccc1Br 62a_100000210303_100012361411 [0,1,0,0,0,0|2,1,0]=4 1459 B10R1.29 CCCSc1sccc1Br 62a_100012361411_100000210303 [0,1,0,0,0,0|2,1,0]=4 1460 B10R1.29 CCCSc1sccc1C 62a_100000210303_100010247149 [0,1,0,0,0,0|2,1,0]=4 1461 B10R1.29 CCCSc1sccc1C 62a_100010247149_100000210303 [0,1,0,0,0,0|2,1,0]=4 1462 B10R1.29 CCNCc1[nH]ncc1Br 207a_100015525214_100000732679 [0,1,0,0,0,0|3,0,0]=4 1463 B10R1.29 CCNCc1[nH]ncc1Br 270004a_100015525214_100000732679 [0,1,0,0,0,0|3,0,0]=4 1464 B10R1.29 CCNCc1[nH]ncc1C 207a_100015525214_100000708485 [0,1,0,0,0,0|3,0,0]=4 1465 B10R1.29 CCNCc1[nH]ncc1C 270004a_100015525214_100000708485 [0,1,0,0,0,0|3,0,0]=4 1466 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,1,0,0,0,0|2,0,0]=3 1467 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1468 B10R1.29 CCNCc1ccnn1C 207a_100015525214_100000737161 [0,1,0,0,0,0|3,0,0]=4 1469 B10R1.29 CCNCc1ccnn1C 2230a_100015525214_100000691648 [0,1,0,0,0,0|3,0,0]=4 1470 B10R1.29 CCNCc1ccnn1C 270004a_100015525214_100000737161 [0,1,0,0,0,0|3,0,0]=4 1471 B10R1.29 CCNCc1ccnn1C 34a_100025706696_100000210202 [0,1,0,0,0,0|3,0,0]=4 1472 B10R1.29 CCNCc1ccsc1Br 207a_100015525214_100009816921 [0,1,0,0,0,0|3,0,0]=4 1473 B10R1.29 CCNCc1ccsc1Br 2230a_100000727803_100000210202 [0,1,0,0,0,0|3,0,0]=4 1474 B10R1.29 CCNCc1ccsc1Br 2230a_100015525214_100009814289 [0,1,0,0,0,0|3,0,0]=4 1475 B10R1.29 CCNCc1ccsc1Br 270004a_100015525214_100009816921 [0,1,0,0,0,0|3,0,0]=4 1476 B10R1.29 CCNCc1ccsc1Br 34a_100000727803_100000210202 [0,1,0,0,0,0|3,0,0]=4 1477 B10R1.29 CCNCc1ccsc1Cl 207a_100015525214_100000089901 [0,1,0,0,0,0|3,0,0]=4 1478 B10R1.29 CCNCc1ccsc1Cl 2230a_100015525214_100010167017 [0,1,0,0,0,0|3,0,0]=4 1479 B10R1.29 CCNCc1ccsc1Cl 270004a_100015525214_100000089901 [0,1,0,0,0,0|3,0,0]=4 1480 B10R1.29 CCNCc1cncn1C 207a_100015525214_100000750899 [0,1,0,0,0,0|3,0,0]=4 1481 B10R1.29 CCNCc1cncn1C 270004a_100015525214_100000750899 [0,1,0,0,0,0|3,0,0]=4 1482 B10R1.29 CCNCc1cscc1Br 207a_100015525214_100000685484 [0,1,0,0,0,0|3,0,0]=4 1483 B10R1.29 CCNCc1cscc1Br 270004a_100015525214_100000685484 [0,1,0,0,0,0|3,0,0]=4 1484 B10R1.29 CCNCc1n[nH]cc1Cl 207a_100015525214_100000040271 [0,1,0,0,0,0|3,0,0]=4 1485 B10R1.29 CCNCc1n[nH]cc1Cl 270004a_100015525214_100000040271 [0,1,0,0,0,0|3,0,0]=4 1486 B10R1.29 CCNCc1nc[nH]c1C 207a_100015525214_100000032982 [0,1,0,0,0,0|3,0,0]=4 1487 B10R1.29 CCNCc1nc[nH]c1C 2230a_100015525214_100000751220 [0,1,0,0,0,0|3,0,0]=4 1488 B10R1.29 CCNCc1nccn1C 207a_100015525214_100000748660 [0,1,0,0,0,0|3,0,0]=4 1489 B10R1.29 CCNCc1nccn1C 2230a_100015186572_100000210202 [0,1,0,0,0,0|3,0,0]=4 1490 B10R1.29 CCNCc1nccn1C 2230a_100015525214_100000700302 [0,1,0,0,0,0|3,0,0]=4 1491 B10R1.29 CCNCc1nccn1C 270004a_100015525214_100000748660 [0,1,0,0,0,0|3,0,0]=4 1492 B10R1.29 CCNCc1ncoc1C 2230a_100015525214_200000693990 [0,1,0,0,0,0|3,0,0]=4 1493 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [0,1,0,0,0,0|1,0,0]=2 1494 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [0,1,0,0,0,0|1,0,0]=2 1495 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [0,1,0,0,0,0|1,0,0]=2 1496 B10R1.29 CCNCc1sccc1Br 207a_100015525214_100000766043 [0,1,0,0,0,0|1,1,0]=3 1497 B10R1.29 CCNCc1sccc1Br 270004a_100015525214_100000766043 [0,1,0,0,0,0|1,1,0]=3 1498 B10R1.29 CCNCc1sccc1C 207a_100015525214_100000210881 [0,1,0,0,0,0|1,1,0]=3 1499 B10R1.29 CCNCc1sccc1C 2230a_100000238519_100000210202 [0,1,0,0,0,0|1,1,0]=3 1500 B10R1.29 CCNCc1sccc1C 270004a_100015525214_100000210881 [0,1,0,0,0,0|1,1,0]=3 1501 B10R1.29 CCNCc1sccc1C 34a_100000238519_100000210202 [0,1,0,0,0,0|1,1,0]=3 1502 B10R1.29 CCNCc1sccc1Cl 207a_100015525214_100000722334 [0,1,0,0,0,0|1,1,0]=3 1503 B10R1.29 CCNCc1sccc1Cl 2230a_100011934584_100000210202 [0,1,0,0,0,0|1,1,0]=3 1504 B10R1.29 CCNCc1sccc1Cl 270004a_100015525214_100000722334 [0,1,0,0,0,0|1,1,0]=3 1505 B10R1.29 CCNCc1sccc1Cl 34a_100011934584_100000210202 [0,1,0,0,0,0|1,1,0]=3 1506 B10R1.29 CCNCc1scnc1C 207a_100015525214_100000764165 [0,1,0,0,0,0|2,1,0]=4 1507 B10R1.29 CCNCc1scnc1C 2230a_100000752186_100000210202 [0,1,0,0,0,0|2,1,0]=4 1508 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,0,0,0|1,0,2]=4 1509 B10R1.29 CCOCc1ccnn1C 34a_100000684702_100000210202 [0,1,0,0,0,0|2,0,0]=3 1510 B10R1.29 CCOCc1ccnn1C 34a_100121572206_100000691648 [0,1,0,0,0,0|2,0,0]=3 1511 B10R1.29 CCOCc1ccoc1C 34a_100011219433_100000210202 [0,1,0,0,0,0|2,0,0]=3 1512 B10R1.29 CCOCc1ccoc1C 7a_100011219433_100000210202 [0,1,0,0,0,0|2,0,0]=3 1513 B10R1.29 CCOCc1ccsc1Br 34a_100009816922_100000210202 [0,1,0,0,0,0|2,0,0]=3 1514 B10R1.29 CCOCc1ccsc1Br 34a_100121572206_100009814289 [0,1,0,0,0,0|2,0,0]=3 1515 B10R1.29 CCOCc1ccsc1Br 7a_100009816922_100000210202 [0,1,0,0,0,0|2,0,0]=3 1516 B10R1.29 CCOCc1ccsc1Cl 34a_100121572206_100010167017 [0,1,0,0,0,0|2,0,0]=3 1517 B10R1.29 CCOCc1cscc1Br 34a_100000724555_100000210202 [0,1,0,0,0,0|2,0,0]=3 1518 B10R1.29 CCOCc1nccn1C 34a_100121572206_100000700302 [0,1,0,0,0,0|2,0,0]=3 1519 B10R1.29 CCOCc1nccn1C 7a_100000691215_100000210202 [0,1,0,0,0,0|2,0,0]=3 1520 B10R1.29 CCOCc1ncnn1C 7a_100000688323_100000210202 [0,1,0,0,0,0|3,0,0]=4 1521 B10R1.29 CCOCc1ncoc1C 34a_100012017639_100000210202 [0,1,0,0,0,0|2,0,0]=3 1522 B10R1.29 CCOCc1ncoc1C 34a_100121572206_200000693990 [0,1,0,0,0,0|2,0,0]=3 1523 B10R1.29 CCOCc1nonc1C 34a_100121572206_200000044682 [0,1,0,0,0,0|3,0,0]=4 1524 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [0,1,0,0,0,0|0,0,0]=1 1525 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [0,1,0,0,0,0|0,0,0]=1 1526 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [0,1,0,0,0,0|1,0,0]=2 1527 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [0,1,0,0,0,0|1,0,0]=2 1528 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [0,1,0,0,0,0|1,0,0]=2 1529 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [0,1,0,0,0,0|0,1,0]=2 1530 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [0,1,0,0,0,0|0,1,0]=2 1531 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [0,1,0,0,0,0|0,1,0]=2 1532 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [0,1,0,0,0,0|0,1,0]=2 1533 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [0,1,0,0,0,0|0,1,0]=2 1534 B10R1.29 CCOCc1scnc1Br 7a_100012000948_100000210202 [0,1,0,0,0,0|1,1,0]=3 1535 B10R1.29 CCOCc1scnc1C 34a_100000750112_100000210202 [0,1,0,0,0,0|1,1,0]=3 1536 B10R1.29 CCOCc1scnc1C 7a_100000750112_100000210202 [0,1,0,0,0,0|1,1,0]=3 1537 B10R1.29 CCOCc1snnc1C 34a_100121572206_100000732739 [0,1,0,0,0,0|2,1,0]=4 1538 B10R1.29 CCOCn1ccnc1O 271570a_203496583355_100000040581 [0,1,0,0,0,0|3,0,0]=4 1539 B10R1.29 CCSCc1ccnn1C 62a_100000210202_100000691648 [0,1,0,0,0,0|2,1,0]=4 1540 B10R1.29 CCSCc1ccnn1C 62a_100000691648_100000210202 [0,1,0,0,0,0|2,1,0]=4 1541 B10R1.29 CCSCc1ccsc1Br 62a_100000210202_100009814289 [0,1,0,0,0,0|2,1,0]=4 1542 B10R1.29 CCSCc1ccsc1Br 62a_100009814289_100000210202 [0,1,0,0,0,0|2,1,0]=4 1543 B10R1.29 CCSCc1ccsc1Cl 62a_100000210202_100010167017 [0,1,0,0,0,0|2,1,0]=4 1544 B10R1.29 CCSCc1ccsc1Cl 62a_100010167017_100000210202 [0,1,0,0,0,0|2,1,0]=4 1545 B10R1.29 CCSCc1nc[nH]c1C 62a_100000210202_100000751220 [0,1,0,0,0,0|2,1,0]=4 1546 B10R1.29 CCSCc1nc[nH]c1C 62a_100000751220_100000210202 [0,1,0,0,0,0|2,1,0]=4 1547 B10R1.29 CCSCc1nccn1C 62a_100000210202_100000700302 [0,1,0,0,0,0|2,1,0]=4 1548 B10R1.29 CCSCc1nccn1C 62a_100000700302_100000210202 [0,1,0,0,0,0|2,1,0]=4 1549 B10R1.29 CCSCc1ncoc1C 62a_100000210202_200000693990 [0,1,0,0,0,0|2,1,0]=4 1550 B10R1.29 CCSCc1ncoc1C 62a_200000693990_100000210202 [0,1,0,0,0,0|2,1,0]=4 1551 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,1,0,0,0,0|3,0,0]=4 1552 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,1,0,0,0,0|3,0,0]=4 1553 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [0,1,0,0,0,0|1,0,0]=2 1554 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [0,1,0,0,0,0|1,0,0]=2 1555 B10R1.29 Cc1ccsc1CNCF 34a_100000238519_100015361967 [0,1,0,0,0,0|2,1,0]=4 1556 B10R1.29 Cc1ccsc1COCF 34a_100000238368_100015361967 [0,1,0,0,0,0|1,1,0]=3 1557 B10R1.29 Cc1ccsc1COCF 7a_100000238368_100015361967 [0,1,0,0,0,0|1,1,0]=3 1558 B10R1.29 Cc1cnoc1COCF 34a_200011065769_100015361967 [0,1,0,0,0,0|2,0,0]=3 1559 B10R1.29 Cc1ncoc1COCF 34a_100000717716_100015361967 [0,1,0,0,0,0|2,0,0]=3 1560 B10R1.29 Cc1ncoc1COCF 7a_100000717716_100015361967 [0,1,0,0,0,0|2,0,0]=3 1561 B10R1.29 Cc1ncsc1COCF 34a_100000750112_100015361967 [0,1,0,0,0,0|2,1,0]=4 1562 B10R1.29 Cc1ncsc1COCF 7a_100000750112_100015361967 [0,1,0,0,0,0|2,1,0]=4 1563 B10R1.29 Cc1occc1COCF 34a_100011219433_100015361967 [0,1,0,0,0,0|3,0,0]=4 1564 B10R1.29 Cc1occc1COCF 7a_100011219433_100015361967 [0,1,0,0,0,0|3,0,0]=4 1565 B10R1.29 Cc1ocnc1COCF 34a_100012017639_100015361967 [0,1,0,0,0,0|3,0,0]=4 1566 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,1,0,0,0,0|3,0,0]=4 1567 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,1,0,0,0,0|3,0,0]=4 1568 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,1,0,0,0,0|3,0,0]=4 1569 B10R1.29 Cn1ccnc1COCF 7a_100000691215_100015361967 [0,1,0,0,0,0|3,0,0]=4 1570 B10R1.29 Cn1nccc1COCF 34a_100000684702_100015361967 [0,1,0,0,0,0|3,0,0]=4 1571 B10R1.29 FCNCc1sccc1Cl 34a_100011934584_100015361967 [0,1,0,0,0,0|2,1,0]=4 1572 B10R1.29 FCOCc1ccsc1Br 34a_100009816922_100015361967 [0,1,0,0,0,0|3,0,0]=4 1573 B10R1.29 FCOCc1ccsc1Br 7a_100009816922_100015361967 [0,1,0,0,0,0|3,0,0]=4 1574 B10R1.29 FCOCc1cscc1Br 34a_100000724555_100015361967 [0,1,0,0,0,0|3,0,0]=4 1575 B10R1.29 FCOCc1sccc1Br 34a_100000702026_100015361967 [0,1,0,0,0,0|1,1,0]=3 1576 B10R1.29 FCOCc1sccc1Cl 34a_100000722387_100015361967 [0,1,0,0,0,0|1,1,0]=3 1577 B10R1.29 FCOCc1sccc1Cl 7a_100000722387_100015361967 [0,1,0,0,0,0|1,1,0]=3 1578 B10R1.29 FCOCc1scnc1Br 7a_100012000948_100015361967 [0,1,0,0,0,0|2,1,0]=4 1579 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,1,0,0,0,0|2,0,1]=4 1580 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,1,0,0,0,0|2,0,1]=4 1581 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,0,0,0|2,0,1]=4 1582 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,1,0,0,0,0|1,0,1]=3 1583 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,1,0,0,0,0|1,1,1]=4 1584 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,1,0,0,0,0|1,1,1]=4 1585 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,1,0,0,0,0|2,0,1]=4 1586 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,1,0,0,0,0|2,0,1]=4 1587 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,1,0,0,0,0|2,0,1]=4 1588 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 1589 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 1590 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,1,0,0,0,0|1,0,1]=3 1591 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,1,0,0,0,0|1,0,1]=3 1592 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 1593 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 1594 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,1,0,0,0,0|1,1,1]=4 1595 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,1,0,0,0,0|1,1,1]=4 1596 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,1,0,0,0,0|2,0,1]=4 1597 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,1,0,0,0,0|2,0,1]=4 1598 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,1,0,0,0,0|2,0,1]=4 1599 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 1600 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 1601 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,1,0,0,0,0|2,0,1]=4 1602 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,1,0,0,0,0|2,0,1]=4 1603 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,1,0,0,0,0|1,0,1]=3 1604 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,1,0,0,0,0|1,1,1]=4 1605 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [0,1,0,0,0,0|2,0,1]=4 1606 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,1,0,0,0,0|2,0,1]=4 1607 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,1,0,0,0,0|2,0,0]=3 1608 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,1,0,0,0,0|2,0,0]=3 1609 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,1,0,0,0,0|2,1,0]=4 1610 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,1,0,0,0,0|2,1,0]=4 1611 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,1,0,0,0,0|3,0,0]=4 1612 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,1,0,0,0,0|3,0,0]=4 1613 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,1,0,0,0,0|3,0,0]=4 1614 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,1,0,0,0,0|3,0,0]=4 1615 B10R1.66 CC(C)NCc1c[nH]cn1 2230a_100138425928_100000707719 [0,1,0,0,0,0|3,0,0]=4 1616 B10R1.66 CC(C)NCc1c[nH]cn1 34a_100138425928_100000707719 [0,1,0,0,0,0|3,0,0]=4 1617 B10R1.66 CC(C)NCc1cc[nH]n1 207a_100138425928_100000738523 [0,1,0,0,0,0|3,0,0]=4 1618 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,1,0,0,0,0|1,0,0]=2 1619 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,1,0,0,0,0|1,0,0]=2 1620 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,1,0,0,0,0|1,0,0]=2 1621 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,1,0,0,0,0|1,1,0]=3 1622 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,1,0,0,0,0|1,1,0]=3 1623 B10R1.66 CC(C)NCc1ccn[nH]1 2230a_100138425928_100000728653 [0,1,0,0,0,0|3,0,0]=4 1624 B10R1.66 CC(C)NCc1ccn[nH]1 34a_100138425928_100000728653 [0,1,0,0,0,0|3,0,0]=4 1625 B10R1.66 CC(C)NCc1ccoc1 207a_100138425928_100011215517 [0,1,0,0,0,0|3,0,0]=4 1626 B10R1.66 CC(C)NCc1ccoc1 2230a_100015206860_100000210206 [0,1,0,0,0,0|3,0,0]=4 1627 B10R1.66 CC(C)NCc1ccoc1 34a_100015206860_100000210206 [0,1,0,0,0,0|3,0,0]=4 1628 B10R1.66 CC(C)NCc1ccon1 2230a_100138425928_100000234950 [0,1,0,0,0,0|3,0,0]=4 1629 B10R1.66 CC(C)NCc1ccon1 34a_100138425928_100000234950 [0,1,0,0,0,0|3,0,0]=4 1630 B10R1.66 CC(C)NCc1ccsc1 207a_100138425928_100000188534 [0,1,0,0,0,0|3,0,0]=4 1631 B10R1.66 CC(C)NCc1ccsc1 2230a_100000186416_100000210206 [0,1,0,0,0,0|3,0,0]=4 1632 B10R1.66 CC(C)NCc1ccsc1 2230a_100138425928_100011261437 [0,1,0,0,0,0|3,0,0]=4 1633 B10R1.66 CC(C)NCc1ccsc1 34a_100000186416_100000210206 [0,1,0,0,0,0|3,0,0]=4 1634 B10R1.66 CC(C)NCc1ccsc1 34a_100138425928_100011261437 [0,1,0,0,0,0|3,0,0]=4 1635 B10R1.66 CC(C)NCc1cnc[nH]1 207a_100138425928_100000742939 [0,1,0,0,0,0|3,0,0]=4 1636 B10R1.66 CC(C)NCc1cncs1 207a_100138425928_100000749870 [0,1,0,0,0,0|2,1,0]=4 1637 B10R1.66 CC(C)NCc1cncs1 2230a_100016987365_100000210206 [0,1,0,0,0,0|2,1,0]=4 1638 B10R1.66 CC(C)NCc1cncs1 2230a_100138425928_100015185245 [0,1,0,0,0,0|2,1,0]=4 1639 B10R1.66 CC(C)NCc1cncs1 34a_100138425928_100015185245 [0,1,0,0,0,0|2,1,0]=4 1640 B10R1.66 CC(C)NCc1cscn1 207a_100138425928_100000743575 [0,1,0,0,0,0|3,0,0]=4 1641 B10R1.66 CC(C)NCc1cscn1 2230a_100015185402_100000210206 [0,1,0,0,0,0|3,0,0]=4 1642 B10R1.66 CC(C)NCc1cscn1 2230a_100138425928_100000205941 [0,1,0,0,0,0|3,0,0]=4 1643 B10R1.66 CC(C)NCc1cscn1 34a_100138425928_100000205941 [0,1,0,0,0,0|3,0,0]=4 1644 B10R1.66 CC(C)NCc1ncc[nH]1 207a_100138425928_100000743867 [0,1,0,0,0,0|3,0,0]=4 1645 B10R1.66 CC(C)NCc1ncc[nH]1 2230a_100138425928_100016991755 [0,1,0,0,0,0|3,0,0]=4 1646 B10R1.66 CC(C)NCc1ncc[nH]1 34a_100138425928_100016991755 [0,1,0,0,0,0|3,0,0]=4 1647 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,1,0,0,0,0|2,0,0]=3 1648 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,1,0,0,0,0|2,0,0]=3 1649 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,1,0,0,0,0|2,0,0]=3 1650 B10R1.66 CC(C)NCc1nccs1 207a_100138425928_100000750902 [0,1,0,0,0,0|2,1,0]=4 1651 B10R1.66 CC(C)NCc1nccs1 2230a_100000740555_100000210206 [0,1,0,0,0,0|2,1,0]=4 1652 B10R1.66 CC(C)NCc1nccs1 2230a_100138425928_100015184050 [0,1,0,0,0,0|2,1,0]=4 1653 B10R1.66 CC(C)NCc1nccs1 34a_100138425928_100015184050 [0,1,0,0,0,0|2,1,0]=4 1654 B10R1.66 CC(C)OCC1CC=CC1 34a_100000688395_100000210206 [0,1,0,0,0,0|1,0,2]=4 1655 B10R1.66 CC(C)OCN1CC=CC1 269982a_100015195280_100000709892 [0,1,0,0,0,0|2,0,1]=4 1656 B10R1.66 CC(C)OCc1c[nH]cn1 34a_100000212225_100000707719 [0,1,0,0,0,0|2,0,0]=3 1657 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,1,0,0,0,0|0,0,0]=1 1658 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,1,0,0,0,0|0,1,0]=2 1659 B10R1.66 CC(C)OCc1ccn[nH]1 34a_100000212225_100000728653 [0,1,0,0,0,0|2,0,0]=3 1660 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,1,0,0,0,0|1,0,0]=2 1661 B10R1.66 CC(C)OCc1ccoc1 34a_100011215357_100000210206 [0,1,0,0,0,0|2,0,0]=3 1662 B10R1.66 CC(C)OCc1ccon1 34a_100000212225_100000234950 [0,1,0,0,0,0|2,0,0]=3 1663 B10R1.66 CC(C)OCc1ccsc1 34a_100000212225_100011261437 [0,1,0,0,0,0|2,0,0]=3 1664 B10R1.66 CC(C)OCc1ccsc1 34a_100011215551_100000210206 [0,1,0,0,0,0|2,0,0]=3 1665 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [0,1,0,0,0,0|1,1,0]=3 1666 B10R1.66 CC(C)OCc1cscn1 34a_100000212225_100000205941 [0,1,0,0,0,0|2,0,0]=3 1667 B10R1.66 CC(C)OCc1ncc[nH]1 34a_100000212225_100016991755 [0,1,0,0,0,0|2,0,0]=3 1668 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,1,0,0,0,0|1,0,0]=2 1669 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,1,0,0,0,0|1,0,0]=2 1670 B10R1.66 CC(C)OCc1nccs1 34a_100000212225_100015184050 [0,1,0,0,0,0|1,1,0]=3 1671 B10R1.66 CC(C)OCc1ncon1 34a_100000212225_100000233494 [0,1,0,0,0,0|3,0,0]=4 1672 B10R1.66 CC(C)OCn1cccn1 34a_100000731028_100000210206 [0,1,0,0,0,0|2,0,0]=3 1673 B10R1.66 CC(C)OCn1cncn1 34a_100000212225_200020645497 [0,1,0,0,0,0|3,0,0]=4 1674 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000210206_100000707719 [0,1,0,0,0,0|2,1,0]=4 1675 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000707719_100000210206 [0,1,0,0,0,0|2,1,0]=4 1676 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000210206_100000728653 [0,1,0,0,0,0|2,1,0]=4 1677 B10R1.66 CC(C)SCc1ccn[nH]1 62a_100000728653_100000210206 [0,1,0,0,0,0|2,1,0]=4 1678 B10R1.66 CC(C)SCc1ccon1 62a_100000210206_100000234950 [0,1,0,0,0,0|2,1,0]=4 1679 B10R1.66 CC(C)SCc1ccon1 62a_100000234950_100000210206 [0,1,0,0,0,0|2,1,0]=4 1680 B10R1.66 CC(C)SCc1ccsc1 62a_100000210206_100011233845 [0,1,0,0,0,0|2,1,0]=4 1681 B10R1.66 CC(C)SCc1ccsc1 62a_100011261437_100000210206 [0,1,0,0,0,0|2,1,0]=4 1682 B10R1.66 CC(C)SCc1cncs1 62a_100000210206_100015185245 [0,1,0,0,0,0|1,2,0]=4 1683 B10R1.66 CC(C)SCc1cncs1 62a_100015185245_100000210206 [0,1,0,0,0,0|1,2,0]=4 1684 B10R1.66 CC(C)SCc1cscn1 62a_100000205941_100000210206 [0,1,0,0,0,0|2,1,0]=4 1685 B10R1.66 CC(C)SCc1cscn1 62a_100000210206_100000205941 [0,1,0,0,0,0|2,1,0]=4 1686 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100000210206_100016991755 [0,1,0,0,0,0|2,1,0]=4 1687 B10R1.66 CC(C)SCc1ncc[nH]1 62a_100016991755_100000210206 [0,1,0,0,0,0|2,1,0]=4 1688 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,1,0,0,0,0|1,1,0]=3 1689 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,1,0,0,0,0|1,1,0]=3 1690 B10R1.66 CC(C)SCc1nccs1 62a_100000210206_100015184050 [0,1,0,0,0,0|1,2,0]=4 1691 B10R1.66 CC(C)SCc1nccs1 62a_100015184050_100000210206 [0,1,0,0,0,0|1,2,0]=4 1692 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,1,0,0,0,0|1,0,1]=3 1693 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,1,0,0,0,0|1,1,1]=4 1694 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,1,0,0,0,0|2,0,1]=4 1695 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,1,0,0,0,0|2,0,1]=4 1696 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,1,0,0,0,0|2,0,0]=3 1697 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,1,0,0,0,0|2,0,0]=3 1698 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,1,0,0,0,0|2,1,0]=4 1699 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,1,0,0,0,0|2,1,0]=4 1700 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,1,0,0,0,0|3,0,0]=4 1701 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,1,0,0,0,0|3,0,0]=4 1702 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,1,0,0,0,0|3,0,0]=4 1703 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,1,0,0,0,0|3,0,0]=4 1704 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,1,0,0,0,0|2,1,0]=4 1705 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,1,0,0,0,0|2,1,0]=4 1706 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,1,0,0,0,0|2,0,0]=3 1707 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,1,0,0,0,0|2,0,0]=3 1708 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,1,0,0,0,0|2,1,0]=4 1709 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,1,0,0,0,0|2,1,0]=4 1710 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,1,0,0,0,0|3,0,0]=4 1711 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,1,0,0,0,0|3,0,0]=4 1712 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,1,0,0,0,0|3,0,0]=4 1713 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,1,0,0,0,0|3,0,0]=4 1714 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,1,0,0,0,0|3,0,0]=4 1715 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,1,0,0,0,0|3,0,0]=4 1716 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,0,0,0|2,0,1]=4 1717 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,1,0,0,0,0|1,0,1]=3 1718 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,1,0,0,0,0|1,1,1]=4 1719 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,0,1,0,0,0|1,0,2]=4 1720 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,0,1,0,0,0|1,0,2]=4 1721 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,0,1,0,0,0|0,0,2]=3 1722 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,0,1,0,0,0|0,1,2]=4 1723 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,0,1,0,0,0|1,0,2]=4 1724 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,0,1,0,0,0|1,0,2]=4 1725 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [0,0,1,0,0,0|2,0,1]=4 1726 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,0,1,0,0,0|1,0,2]=4 1727 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,0,1,0,0,0|2,0,0]=3 1728 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,0,1,0,0,0|1,0,0]=2 1729 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,0,1,0,0,0|1,1,0]=3 1730 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,0,1,0,0,0|1,1,0]=3 1731 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,0,1,0,0,0|2,1,0]=4 1732 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,0,1,0,0,0|2,1,0]=4 1733 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,0,1,0,0,0|1,0,2]=4 1734 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,0,1,0,0,0|2,0,1]=4 1735 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,0,1,0,0,0|2,0,1]=4 1736 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,0,1,0,0,0|2,0,1]=4 1737 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,0,1,0,0,0|1,0,2]=4 1738 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,0,1,0,0,0|1,0,0]=2 1739 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [0,0,1,0,0,0|2,0,0]=3 1740 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [0,0,1,0,0,0|2,0,1]=4 1741 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [0,0,1,0,0,0|2,0,1]=4 1742 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,0,1,0,0,0|1,0,2]=4 1743 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,0,1,0,0,0|1,0,2]=4 1744 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,0,1,0,0,0|1,0,2]=4 1745 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [0,0,1,0,0,0|2,0,1]=4 1746 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [0,0,1,0,0,0|2,0,1]=4 1747 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,0,1,0,0,0|1,0,2]=4 1748 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,0,1,0,0,0|1,0,2]=4 1749 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,0,1,0,0,0|1,0,2]=4 1750 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,1,0,0,0|1,0,2]=4 1751 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,1,0,0,0|1,0,2]=4 1752 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,1,0,0,0|1,0,2]=4 1753 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [0,0,1,0,0,0|0,0,2]=3 1754 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [0,0,1,0,0,0|0,0,2]=3 1755 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [0,0,1,0,0,0|0,0,2]=3 1756 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [0,0,1,0,0,0|0,0,2]=3 1757 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [0,0,1,0,0,0|0,0,2]=3 1758 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [0,0,1,0,0,0|1,0,2]=4 1759 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [0,0,1,0,0,0|1,0,2]=4 1760 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [0,0,1,0,0,0|0,1,2]=4 1761 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [0,0,1,0,0,0|0,1,2]=4 1762 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [0,0,1,0,0,0|0,1,2]=4 1763 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [0,0,1,0,0,0|0,1,2]=4 1764 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [0,0,1,0,0,0|0,1,2]=4 1765 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,0,1,0,0,0|1,0,2]=4 1766 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,0,1,0,0,0|1,0,2]=4 1767 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,0,1,0,0,0|1,0,2]=4 1768 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,0,1,0,0,0|1,0,2]=4 1769 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,1,0,0,0|1,0,2]=4 1770 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [0,0,1,0,0,0|2,0,1]=4 1771 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [0,0,1,0,0,0|2,0,1]=4 1772 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,0,1,0,0,0|1,0,2]=4 1773 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,0,1,0,0,0|1,0,2]=4 1774 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,0,1,0,0,0|1,0,2]=4 1775 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,0,1,0,0,0|1,0,2]=4 1776 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,0,1,0,0,0|1,0,2]=4 1777 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,0,1,0,0,0|1,0,2]=4 1778 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,0,1,0,0,0|1,0,2]=4 1779 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,0,1,0,0,0|1,0,2]=4 1780 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [0,0,0,1,0,0|2,0,0]=3 1781 B10R2.193 c1coc(n1)SC2CC2 62a_100011787736_100000211595 [0,0,0,1,0,0|3,0,0]=4 1782 B10R2.193 c1csc(c1)SC2CC2 62a_100011215356_100000211595 [0,0,0,1,0,0|2,1,0]=4 1783 B10R2.193 c1ncc(o1)SC2CC2 62a_100020591547_100000211595 [0,0,0,1,0,0|3,0,0]=4 1784 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,0,0,0,1,0|0,0,3]=4 1785 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,0,0,0,1,0|0,0,3]=4 1786 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,1|2,0,0]=3 1787 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,1|2,0,0]=3 1788 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,1|2,0,0]=3 1789 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,0,0,0,1|2,0,0]=3 1790 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,1|2,0,0]=3 1791 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,0,0,0,1|2,0,0]=3 1792 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,0,0,0,1|3,0,0]=4 1793 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,0,0,0,1|2,0,0]=3 1794 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,0,0,0,1|3,0,0]=4 1795 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,0,0,0,1|2,0,0]=3 1796 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,1|3,0,0]=4 1797 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,1|3,0,0]=4 1798 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,1|3,0,0]=4 1799 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,1|3,0,0]=4 1800 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,1|3,0,0]=4 1801 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,1|3,0,0]=4 1802 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,1|3,0,0]=4 1803 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,1|3,0,0]=4 1804 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,1|3,0,0]=4 1805 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,1|3,0,0]=4 1806 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,1|3,0,0]=4 1807 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,1|3,0,0]=4 1808 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,0,0,0,0,1|3,0,0]=4 1809 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,0,0,0,0,1|3,0,0]=4 1810 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,1|3,0,0]=4 1811 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,1|3,0,0]=4 1812 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,0,0,0,0,1|3,0,0]=4 1813 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,0,0,0,0,1|3,0,0]=4 1814 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,0,0,0,0,1|3,0,0]=4 1815 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,0,0,0,0,1|3,0,0]=4 1816 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,0,0,0,0,1|3,0,0]=4 1817 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,0,0,0,0,1|3,0,0]=4 1818 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,1|2,0,0]=3 1819 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,1|2,0,0]=3 1820 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,1|2,0,0]=3 1821 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,1|2,0,0]=3 1822 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,1|2,0,0]=3 1823 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,1|2,0,0]=3 1824 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,1|2,0,0]=3 1825 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,1|2,0,0]=3 1826 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,1|2,0,0]=3 1827 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,1|2,0,0]=3 1828 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,1|2,0,0]=3 1829 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,0,0,0,0,1|2,0,0]=3 1830 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,0,0,0,0,1|2,0,0]=3 1831 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,1|2,0,0]=3 1832 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,1|2,0,0]=3 1833 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,0,0,0,0,1|3,0,0]=4 1834 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,0,0,0,0,1|2,0,0]=3 1835 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,0,0,0,0,1|2,0,0]=3 1836 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,0,0,0,0,1|3,0,0]=4 1837 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,0,0,0,0,1|3,0,0]=4 1838 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,0,0,0,0,1|3,0,0]=4 1839 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,0,0,0,0,1|2,0,0]=3 1840 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,0,0,0,0,1|2,0,0]=3 1841 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,0,0,0,0,1|1,0,2]=4 1842 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,0,0,1|0,0,2]=3 1843 B10R1.17 CCOCN1CC=CCC1 269982a_100000698166_100000739092 [0,0,0,0,0,1|2,0,1]=4 1844 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,1|1,0,0]=2 1845 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,1|1,0,0]=2 1846 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,1|1,0,0]=2 1847 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,1|1,0,0]=2 1848 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,1|1,0,0]=2 1849 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,0,0,0,0,1|1,0,0]=2 1850 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,0,0,0,0,1|1,0,0]=2 1851 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [0,0,0,0,0,1|2,0,0]=3 1852 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,0,0,0,0,1|1,0,0]=2 1853 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,1|1,1,0]=3 1854 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,1|1,1,0]=3 1855 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,1|1,1,0]=3 1856 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,1|1,1,0]=3 1857 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,1|1,1,0]=3 1858 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,1|1,1,0]=3 1859 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,0,0,0,0,1|1,1,0]=3 1860 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,0,0,0,0,1|1,1,0]=3 1861 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,1|1,1,0]=3 1862 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,1|1,1,0]=3 1863 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,0,0,0,0,1|1,1,0]=3 1864 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,0,0,0,0,1|1,1,0]=3 1865 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,0,0,0,0,1|2,1,0]=4 1866 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,0,0,0,0,1|2,1,0]=4 1867 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,0,0,0,0,1|1,1,0]=3 1868 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,0,0,0,0,1|1,1,0]=3 1869 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,1|3,0,0]=4 1870 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,1|3,0,0]=4 1871 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,1|3,0,0]=4 1872 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,1|3,0,0]=4 1873 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,1|3,0,0]=4 1874 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,1|3,0,0]=4 1875 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,1|3,0,0]=4 1876 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,1|3,0,0]=4 1877 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,1|3,0,0]=4 1878 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,1|3,0,0]=4 1879 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,1|3,0,0]=4 1880 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,1|3,0,0]=4 1881 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,1|3,0,0]=4 1882 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,1|3,0,0]=4 1883 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,1|3,0,0]=4 1884 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,1|3,0,0]=4 1885 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,1|3,0,0]=4 1886 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,1|3,0,0]=4 1887 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,0,0,0,0,1|3,0,0]=4 1888 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,1|3,0,0]=4 1889 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,1|3,0,0]=4 1890 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,1|3,0,0]=4 1891 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,1|3,0,0]=4 1892 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,1|3,0,0]=4 1893 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,1|3,0,0]=4 1894 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,1|3,0,0]=4 1895 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,1|3,0,0]=4 1896 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,1|3,0,0]=4 1897 B10R1.17 FCOCC1CCC=CO1 34a_100011217868_100015361967 [0,0,0,0,0,1|1,0,2]=4 1898 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,1|2,0,0]=3 1899 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,1|2,0,0]=3 1900 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,1|2,1,0]=4 1901 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,1|2,1,0]=4 1902 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,1|2,1,0]=4 1903 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,1|2,1,0]=4 1904 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,1|2,1,0]=4 1905 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,1|2,1,0]=4 1906 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,0,0,0,0,1|2,1,0]=4 1907 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,0,0,0,0,1|2,1,0]=4 1908 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,1|2,1,0]=4 1909 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,1|2,1,0]=4 1910 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,0,0,0,0,1|2,1,0]=4 1911 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,0,0,0,0,1|2,1,0]=4 1912 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,0,0,0,0,1|2,1,0]=4 1913 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,0,0,0,0,1|2,1,0]=4 1914 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,1|3,0,0]=4 1915 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,1|3,0,0]=4 1916 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,1|3,0,0]=4 1917 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,1|3,0,0]=4 1918 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,1|3,0,0]=4 1919 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,1|3,0,0]=4 1920 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,1|3,0,0]=4 1921 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,1|3,0,0]=4 1922 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,0,0,0,0,1|3,0,0]=4 1923 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,1|3,0,0]=4 1924 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,1|3,0,0]=4 1925 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,1|3,0,0]=4 1926 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,1|3,0,0]=4 1927 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,1|3,0,0]=4 1928 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,1|3,0,0]=4 1929 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,1|3,0,0]=4 1930 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,1|3,0,0]=4 1931 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,1,0,0,0|1,0,0]=3 1932 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,1,0,0,0|1,0,0]=3 1933 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,1,0,0,0|0,0,2]=4 1934 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,1,0,0,0|0,0,2]=4 1935 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,1,0,0,0|0,0,2]=4 1936 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,1,0,0,0|0,0,2]=4 1937 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,1,0,0,0|0,0,2]=4 1938 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,1,0,0,0|0,0,2]=4 1939 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,1,0,0,0|0,0,2]=4 1940 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,1,0,0,0|0,0,2]=4 1941 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,1,0,0,0|0,0,2]=4 1942 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,1,0,0,0|0,0,2]=4 1943 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,1,0,0,0|0,0,2]=4 1944 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,1,0,0,0|0,0,2]=4 1945 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,1,0,0,0|0,0,2]=4 1946 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,1,0,0,0|0,1,1]=4 1947 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,1,0,0,0|0,1,1]=4 1948 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,1,0,0,0|1,0,1]=4 1949 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,1,0,0,0|0,0,1]=3 1950 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,1,0,0,0|0,0,1]=3 1951 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,0,1,0,0,0|1,0,1]=4 1952 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,1,0,0,0|0,1,1]=4 1953 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,1,0,0,0|0,1,1]=4 1954 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,1,0,0,0|0,0,2]=4 1955 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,1,0,0,0|0,0,2]=4 1956 B7R0.3 C=C(C#N)COCC 34a_100121572206_100000694840 [1,0,1,0,0,0|1,0,1]=4 1957 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,1,0,0,0|1,0,1]=4 1958 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,1,0,0,0|0,0,2]=4 1959 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,1,0,0,0|0,0,2]=4 1960 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [1,0,1,0,0,0|1,0,1]=4 1961 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,1,0,0,0|0,0,1]=3 1962 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [1,0,1,0,0,0|0,1,1]=4 1963 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [1,0,1,0,0,0|0,1,1]=4 1964 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,1,0,0,0|1,0,1]=4 1965 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,1,0,0,0|1,0,1]=4 1966 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,1,0,0,0|0,0,2]=4 1967 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,1,0,0,0|0,0,2]=4 1968 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,0,1,0,0,0|0,0,2]=4 1969 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,1,0,0,0|2,0,0]=4 1970 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,1,0,0,0|2,0,0]=4 1971 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,1,0,0,0|1,0,0]=3 1972 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,1,0,0,0|1,1,0]=4 1973 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,1,0,0,0|1,1,0]=4 1974 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,1,0,0,0|1,1,0]=4 1975 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,1,0,0,0|1,1,0]=4 1976 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|0,0,2]=4 1977 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,1,0,0,0|1,0,1]=4 1978 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,1,0,0,0|1,0,1]=4 1979 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,1,0,0,0|1,0,1]=4 1980 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [1,0,1,0,0,0|1,0,1]=4 1981 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,1,0,0,0|0,0,2]=4 1982 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,1,0,0,0|0,0,2]=4 1983 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,1,0,0,0|0,0,2]=4 1984 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,1,0,0,0|0,0,2]=4 1985 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|0,0,2]=4 1986 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [2,0,0,0,0,0|2,0,0]=4 1987 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [2,0,0,0,0,0|2,0,0]=4 1988 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|0,1,0]=3 1989 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|0,1,0]=3 1990 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|0,2,0]=4 1991 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|0,2,0]=4 1992 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [2,0,0,0,0,0|1,1,0]=4 1993 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [2,0,0,0,0,0|1,1,0]=4 1994 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|1,1,0]=4 1995 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|1,1,0]=4 1996 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [2,0,0,0,0,0|2,0,0]=4 1997 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [2,0,0,0,0,0|2,0,0]=4 1998 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|0,1,0]=3 1999 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|0,1,0]=3 2000 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|0,2,0]=4 2001 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|0,2,0]=4 2002 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [2,0,0,0,0,0|1,1,0]=4 2003 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [2,0,0,0,0,0|1,1,0]=4 2004 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|1,1,0]=4 2005 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|1,1,0]=4 2006 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,1,0,0,0|0,0,2]=4 2007 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,1,0,0,0|0,0,2]=4 2008 B9R0.5 C#CCOCC(=O)OC=C 34a_100000210247_100000036128 [0,1,1,0,0,0|1,0,1]=4 2009 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,1,1,0,0,0|0,0,2]=4 2010 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,1,1,0,0,0|0,0,2]=4 2011 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,1,1,0,0,0|0,0,2]=4 2012 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,1,1,0,0,0|0,0,2]=4 2013 B9R0.5 C=CCOCC(=O)OC=C 34a_200000210373_100000036128 [0,1,1,0,0,0|1,0,1]=4 2014 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,1,1,0,0,0|2,0,0]=4 2015 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,1,1,0,0,0|2,0,0]=4 2016 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,1,1,0,0,0|2,0,0]=4 2017 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,1,1,0,0,0|1,0,0]=3 2018 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,1,1,0,0,0|1,0,0]=3 2019 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,1,1,0,0,0|1,0,0]=3 2020 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,1,1,0,0,0|1,1,0]=4 2021 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,1,1,0,0,0|1,1,0]=4 2022 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,1,1,0,0,0|1,1,0]=4 2023 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,1,1,0,0,0|1,1,0]=4 2024 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,1,1,0,0,0|1,1,0]=4 2025 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,1,1,0,0,0|1,1,0]=4 2026 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,1,1,0,0,0|1,1,0]=4 2027 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,1,1,0,0,0|1,1,0]=4 2028 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,1,1,0,0,0|1,1,0]=4 2029 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,1,1,0,0,0|1,1,0]=4 2030 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,1,0,0,0|0,0,2]=4 2031 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,1,0,0,0|1,0,1]=4 2032 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,1,0,0,0|1,0,1]=4 2033 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,1,0,0,0|1,0,1]=4 2034 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [0,1,1,0,0,0|0,0,2]=4 2035 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [0,1,1,0,0,0|0,0,2]=4 2036 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,1,0,0,0|1,0,1]=4 2037 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [0,1,1,0,0,0|0,0,2]=4 2038 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [0,1,1,0,0,0|0,0,2]=4 2039 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [0,1,1,0,0,0|0,0,2]=4 2040 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [0,1,1,0,0,0|0,0,2]=4 2041 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [0,1,1,0,0,0|2,0,0]=4 2042 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [0,1,1,0,0,0|1,0,0]=3 2043 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [0,1,1,0,0,0|1,1,0]=4 2044 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [0,1,1,0,0,0|1,1,0]=4 2045 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [0,1,1,0,0,0|0,0,2]=4 2046 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [0,1,1,0,0,0|0,0,2]=4 2047 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [0,1,1,0,0,0|0,0,2]=4 2048 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,1,0,0,0|2,0,0]=4 2049 B9R0.34 C=COC(=O)CN(C)CC 2230a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 2050 B9R0.34 C=COC(=O)CN(C)CC 269982a_100000225621_100000036128 [0,1,1,0,0,0|2,0,0]=4 2051 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,1,1,0,0,0|0,0,2]=4 2052 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,1,1,0,0,0|0,0,2]=4 2053 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,1,1,0,0,0|2,0,0]=4 2054 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,1,1,0,0,0|2,0,0]=4 2055 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,1,1,0,0,0|1,0,0]=3 2056 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,1,1,0,0,0|1,1,0]=4 2057 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,1,1,0,0,0|1,1,0]=4 2058 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,1,1,0,0,0|1,0,0]=3 2059 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,1,0,0,0|0,0,2]=4 2060 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,1,0,0,0|0,0,2]=4 2061 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,1,0,0,0|0,0,2]=4 2062 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,1,1,0,0,0|0,0,2]=4 2063 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,1,1,0,0,0|0,0,2]=4 2064 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,1,1,0,0,0|0,0,2]=4 2065 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,1,1,0,0,0|0,0,2]=4 2066 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,1,1,0,0,0|0,0,2]=4 2067 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,1,1,0,0,0|0,0,2]=4 2068 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,1,1,0,0,0|0,0,2]=4 2069 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,1,1,0,0,0|0,0,2]=4 2070 B9R0.45 C#CCOC/C=C/C=C/C 34a_100016283227_100000184674 [0,1,1,0,0,0|1,0,1]=4 2071 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [0,1,1,0,0,0|1,0,1]=4 2072 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,1,1,0,0,0|1,0,0]=3 2073 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [0,1,1,0,0,0|1,0,0]=3 2074 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,1,1,0,0,0|1,0,0]=3 2075 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [0,1,1,0,0,0|1,0,0]=3 2076 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,1,1,0,0,0|0,0,2]=4 2077 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,1,1,0,0,0|0,0,2]=4 2078 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,1,1,0,0,0|0,0,2]=4 2079 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,1,1,0,0,0|0,0,2]=4 2080 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,1,1,0,0,0|0,0,2]=4 2081 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,1,1,0,0,0|0,0,2]=4 2082 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [0,1,1,0,0,0|1,0,1]=4 2083 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,1,1,0,0,0|0,0,2]=4 2084 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,1,1,0,0,0|0,0,2]=4 2085 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,1,1,0,0,0|0,0,2]=4 2086 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [0,1,1,0,0,0|0,0,2]=4 2087 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [0,1,1,0,0,0|0,0,2]=4 2088 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,1,1,0,0,0|0,0,2]=4 2089 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,1,1,0,0,0|0,0,2]=4 2090 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,1,1,0,0,0|0,0,2]=4 2091 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,1,1,0,0,0|0,0,2]=4 2092 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,1,1,0,0,0|0,0,2]=4 2093 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [0,1,1,0,0,0|0,0,2]=4 2094 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [0,1,1,0,0,0|0,0,2]=4 2095 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [0,1,1,0,0,0|0,0,2]=4 2096 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [0,1,1,0,0,0|0,0,2]=4 2097 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [0,1,1,0,0,0|0,0,2]=4 2098 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [0,1,1,0,0,0|0,0,2]=4 2099 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [0,1,1,0,0,0|0,0,2]=4 2100 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [0,1,1,0,0,0|0,0,2]=4 2101 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [0,1,1,0,0,0|0,0,2]=4 2102 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,1,1,0,0,0|0,0,2]=4 2103 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,1,1,0,0,0|0,0,2]=4 2104 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,1,1,0,0,0|0,0,2]=4 2105 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [0,1,1,0,0,0|0,0,2]=4 2106 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,1,1,0,0,0|0,0,2]=4 2107 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,1,1,0,0,0|0,0,2]=4 2108 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,1,0,0,0|1,0,1]=4 2109 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,1,0,0,0|1,0,1]=4 2110 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,1,0,0,0|1,0,1]=4 2111 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,1,0,0,0|1,0,1]=4 2112 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,1,0,0,0|1,0,1]=4 2113 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,1,0,0,0|0,0,1]=3 2114 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,1,0,0,0|0,1,1]=4 2115 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,1,0,0,0|0,1,1]=4 2116 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [0,1,1,0,0,0|0,0,2]=4 2117 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,1,0,0,0|2,0,0]=4 2118 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|0,1,0]=3 2119 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [1,1,0,0,0,0|2,0,0]=4 2120 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [1,1,0,0,0,0|2,0,0]=4 2121 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [1,1,0,0,0,0|2,0,0]=4 2122 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [1,1,0,0,0,0|2,0,0]=4 2123 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [1,1,0,0,0,0|2,0,0]=4 2124 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [1,1,0,0,0,0|1,1,0]=4 2125 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,1,0,0,0,0|0,2,0]=4 2126 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,1,0,0,0,0|0,2,0]=4 2127 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [1,1,0,0,0,0|0,2,0]=4 2128 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [1,1,0,0,0,0|0,2,0]=4 2129 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,1,0,0,0,0|0,2,0]=4 2130 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,1,0,0,0,0|0,2,0]=4 2131 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [1,1,0,0,0,0|2,0,0]=4 2132 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [1,1,0,0,0,0|1,0,0]=3 2133 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [1,1,0,0,0,0|1,1,0]=4 2134 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [1,1,0,0,0,0|1,1,0]=4 2135 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [1,1,0,0,0,0|1,1,0]=4 2136 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [1,1,0,0,0,0|1,1,0]=4 2137 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [1,1,0,0,0,0|1,1,0]=4 2138 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [1,1,0,0,0,0|1,1,0]=4 2139 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [1,1,0,0,0,0|1,1,0]=4 2140 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [1,1,0,0,0,0|1,1,0]=4 2141 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [1,1,0,0,0,0|1,1,0]=4 2142 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [1,1,0,0,0,0|1,1,0]=4 2143 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [1,1,0,0,0,0|1,1,0]=4 2144 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [1,1,0,0,0,0|1,1,0]=4 2145 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [1,1,0,0,0,0|1,1,0]=4 2146 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [1,1,0,0,0,0|1,1,0]=4 2147 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [1,1,0,0,0,0|1,1,0]=4 2148 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [1,1,0,0,0,0|2,0,0]=4 2150 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [1,1,0,0,0,0|2,0,0]=4 2152 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [1,1,0,0,0,0|2,0,0]=4 2153 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [1,1,0,0,0,0|2,0,0]=4 2155 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [1,1,0,0,0,0|2,0,0]=4 2156 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [1,1,0,0,0,0|2,0,0]=4 2157 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [1,1,0,0,0,0|2,0,0]=4 2158 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [1,1,0,0,0,0|2,0,0]=4 2159 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [1,1,0,0,0,0|1,0,0]=3 2160 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [1,1,0,0,0,0|1,0,0]=3 2161 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [1,1,0,0,0,0|1,0,0]=3 2162 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,1,0,0,0,0|1,0,0]=3 2163 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,1,0,0,0,0|1,0,0]=3 2164 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2165 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [1,1,0,0,0,0|1,0,0]=3 2166 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [1,1,0,0,0,0|1,0,0]=3 2167 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [1,1,0,0,0,0|1,0,0]=3 2168 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [1,1,0,0,0,0|1,0,0]=3 2169 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [1,1,0,0,0,0|1,1,0]=4 2170 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [1,1,0,0,0,0|1,1,0]=4 2171 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [1,1,0,0,0,0|1,1,0]=4 2172 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [1,1,0,0,0,0|1,1,0]=4 2173 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [1,1,0,0,0,0|1,1,0]=4 2174 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [1,1,0,0,0,0|1,1,0]=4 2175 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [1,1,0,0,0,0|1,1,0]=4 2176 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [1,1,0,0,0,0|1,1,0]=4 2177 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [1,1,0,0,0,0|1,1,0]=4 2178 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [1,1,0,0,0,0|1,1,0]=4 2179 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [1,1,0,0,0,0|1,1,0]=4 2180 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [1,1,0,0,0,0|1,1,0]=4 2181 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [1,1,0,0,0,0|1,1,0]=4 2182 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [1,1,0,0,0,0|1,1,0]=4 2183 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [1,1,0,0,0,0|2,0,0]=4 2184 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [1,1,0,0,0,0|2,0,0]=4 2185 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 2186 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [1,1,0,0,0,0|2,0,0]=4 2188 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [1,1,0,0,0,0|0,1,0]=3 2189 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [1,1,0,0,0,0|0,1,0]=3 2190 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [1,1,0,0,0,0|0,1,0]=3 2191 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [1,1,0,0,0,0|0,1,0]=3 2192 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [1,1,0,0,0,0|0,1,0]=3 2193 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [1,1,0,0,0,0|0,1,0]=3 2194 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [1,1,0,0,0,0|1,0,0]=3 2195 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2196 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [1,1,0,0,0,0|1,0,0]=3 2197 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [1,1,0,0,0,0|2,0,0]=4 2198 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [1,1,0,0,0,0|2,0,0]=4 2199 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [1,1,0,0,0,0|0,0,0]=2 2200 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [1,1,0,0,0,0|0,0,0]=2 2201 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,1,0,0,0,0|0,0,0]=2 2202 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,1,0,0,0,0|0,0,0]=2 2203 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [1,1,0,0,0,0|0,1,0]=3 2204 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,1,0,0,0,0|0,1,0]=3 2205 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [1,1,0,0,0,0|0,1,0]=3 2206 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [1,1,0,0,0,0|2,0,0]=4 2207 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [1,1,0,0,0,0|2,0,0]=4 2208 B9R1.7 COCc1cn(cn1)C 34a_100000710007_200000210301 [1,1,0,0,0,0|2,0,0]=4 2209 B9R1.7 COCc1cn(cn1)C 34a_100138415774_100000717665 [1,1,0,0,0,0|2,0,0]=4 2210 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [1,1,0,0,0,0|1,1,0]=4 2211 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [1,1,0,0,0,0|1,1,0]=4 2212 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [1,1,0,0,0,0|1,1,0]=4 2213 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [1,1,0,0,0,0|1,1,0]=4 2214 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [1,1,0,0,0,0|1,1,0]=4 2215 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [1,1,0,0,0,0|1,1,0]=4 2216 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [1,1,0,0,0,0|1,1,0]=4 2217 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [1,1,0,0,0,0|2,0,0]=4 2218 B9R1.7 COCc1csc(c1)Cl 34a_100009863405_200000210301 [1,1,0,0,0,0|2,0,0]=4 2219 B9R1.7 COCc1csc(c1)Cl 7a_100009863405_200000210301 [1,1,0,0,0,0|2,0,0]=4 2220 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2221 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [1,1,0,0,0,0|2,0,0]=4 2222 B9R1.7 COCc1csc(n1)Cl 34a_100138415774_100000024076 [1,1,0,0,0,0|2,0,0]=4 2223 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [1,1,0,0,0,0|1,1,0]=4 2224 B9R1.7 COCc1nc(no1)C 270196a_100000212224_100000210968 [1,1,0,0,0,0|2,0,0]=4 2225 B9R1.7 COCc1nc(no1)C 34a_100000749583_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B9R1.7 COCc1nc(no1)C 34a_100138415774_100000735555 [1,1,0,0,0,0|2,0,0]=4 2227 B9R1.7 COCc1nnc(o1)C 34a_100000749586_200000210301 [1,1,0,0,0,0|2,0,0]=4 2228 B9R1.7 COCn1cc(cn1)Cl 34a_100000732729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2229 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|0,2,0]=4 2230 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|0,2,0]=4 2231 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [1,1,0,0,0,0|1,1,0]=4 2232 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [1,1,0,0,0,0|1,1,0]=4 2233 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [1,1,0,0,0,0|1,1,0]=4 2234 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [1,1,0,0,0,0|1,1,0]=4 2235 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [1,1,0,0,0,0|0,2,0]=4 2236 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [1,1,0,0,0,0|0,2,0]=4 2237 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|0,2,0]=4 2238 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|0,2,0]=4 2239 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [1,1,0,0,0,0|2,0,0]=4 2241 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [1,1,0,0,0,0|2,0,0]=4 2242 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2243 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [1,1,0,0,0,0|1,1,0]=4 2244 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [1,1,0,0,0,0|1,1,0]=4 2245 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2246 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,1,0,0,0,0|0,0,0]=2 2247 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,1,0,0,0,0|0,0,0]=2 2248 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [1,1,0,0,0,0|1,1,0]=4 2249 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,1,0,0,0,0|0,1,0]=3 2250 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 2252 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [1,1,0,0,0,0|1,1,0]=4 2253 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [1,1,0,0,0,0|1,1,0]=4 2254 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [1,1,0,0,0,0|0,1,0]=3 2255 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [1,1,0,0,0,0|0,1,0]=3 2256 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [1,1,0,0,0,0|2,0,0]=4 2257 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2258 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [1,1,0,0,0,0|1,1,0]=4 2259 B9R1.7 Cc1nnc(o1)CO[13CH3] 34a_100000749586_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B9R1.7 Cc1noc(n1)CO[13CH3] 34a_100000749583_200025704644 [1,1,0,0,0,0|2,0,0]=4 2261 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [1,1,0,0,0,0|2,0,0]=4 2262 B9R1.7 Cn1cnc(c1)CO[13CH3] 34a_100000710007_200025704644 [1,1,0,0,0,0|2,0,0]=4 2263 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [1,1,0,0,0,0|1,1,0]=4 2264 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [1,1,0,0,0,0|1,1,0]=4 2265 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2266 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2267 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [1,1,0,0,0,0|1,0,0]=3 2268 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [1,1,0,0,0,0|1,1,0]=4 2269 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [1,1,0,0,0,0|0,1,0]=3 2270 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [1,1,0,0,0,0|0,1,0]=3 2271 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [1,1,0,0,0,0|1,0,0]=3 2272 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [1,1,0,0,0,0|0,0,0]=2 2273 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [1,1,0,0,0,0|0,0,0]=2 2274 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [1,1,0,0,0,0|1,1,0]=4 2275 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [1,1,0,0,0,0|1,1,0]=4 2276 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [1,1,0,0,0,0|1,1,0]=4 2277 B9R1.7 [13CH3]OCc1csc(c1)Cl 34a_100009863405_200025704644 [1,1,0,0,0,0|2,0,0]=4 2278 B9R1.7 [13CH3]OCc1csc(c1)Cl 7a_100009863405_200025704644 [1,1,0,0,0,0|2,0,0]=4 2279 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [1,1,0,0,0,0|1,1,0]=4 2280 B9R1.7 [13CH3]OCn1cc(cn1)Cl 34a_100000732729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2281 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|0,2,0]=4 2282 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|0,2,0]=4 2283 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [1,1,0,0,0,0|1,1,0]=4 2284 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [1,1,0,0,0,0|1,1,0]=4 2285 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [1,1,0,0,0,0|0,2,0]=4 2286 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [1,1,0,0,0,0|0,2,0]=4 2287 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|0,2,0]=4 2288 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|0,2,0]=4 2289 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [1,1,0,0,0,0|1,1,0]=4 2290 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [1,1,0,0,0,0|2,0,0]=4 2291 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [1,1,0,0,0,0|2,0,0]=4 2292 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [1,1,0,0,0,0|1,1,0]=4 2293 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,1,0,0,0,0|2,0,0]=4 2294 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [1,1,0,0,0,0|1,1,0]=4 2295 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [1,1,0,0,0,0|1,1,0]=4 2296 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2297 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [1,1,0,0,0,0|2,0,0]=4 2298 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [1,1,0,0,0,0|2,0,0]=4 2299 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [1,1,0,0,0,0|1,1,0]=4 2300 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,1,0,0,0,0|0,0,0]=2 2301 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,1,0,0,0,0|0,0,0]=2 2302 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,1,0,0,0,0|0,1,0]=3 2303 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2304 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,1,0,0,0,0|0,1,0]=3 2305 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,1,0,0,0,0|0,0,0]=2 2306 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,1,0,0,0,0|0,0,0]=2 2307 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [1,1,0,0,0,0|0,0,2]=4 2308 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,1,0,0,0,0|1,0,1]=4 2309 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,1,0,0,0,0|0,0,1]=3 2310 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,1,0,0,0,0|0,1,1]=4 2311 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,1,0,0,0,0|1,0,1]=4 2312 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [1,1,0,0,0,0|2,0,0]=4 2313 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [1,1,0,0,0,0|2,0,0]=4 2314 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,1,0,0,0,0|0,1,0]=3 2315 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,1,0,0,0,0|0,1,0]=3 2316 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,1,0,0,0,0|0,2,0]=4 2317 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,1,0,0,0,0|0,2,0]=4 2318 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [1,1,0,0,0,0|1,1,0]=4 2319 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [1,1,0,0,0,0|1,1,0]=4 2320 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [1,1,0,0,0,0|1,1,0]=4 2321 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [1,1,0,0,0,0|1,1,0]=4 2322 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2323 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2324 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,1,0,0,0,0|1,0,0]=3 2325 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,1,0,0,0,0|1,1,0]=4 2326 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,1,0,0,0,0|1,1,0]=4 2327 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,1,0,0,0,0|1,1,0]=4 2328 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [1,1,0,0,0,0|2,0,0]=4 2329 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [1,1,0,0,0,0|2,0,0]=4 2330 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [1,1,0,0,0,0|2,0,0]=4 2331 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [1,1,0,0,0,0|2,0,0]=4 2332 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2333 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2334 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,1,0,0,0,0|1,1,0]=4 2335 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,1,0,0,0,0|1,1,0]=4 2336 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,1,0,0,0,0|1,0,1]=4 2337 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,1,0,0,0,0|0,0,1]=3 2338 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,1,0,0,0,0|0,1,1]=4 2339 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [1,1,0,0,0,0|2,0,0]=4 2340 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [1,1,0,0,0,0|0,2,0]=4 2341 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [1,1,0,0,0,0|0,2,0]=4 2342 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,1,0,0,0,0|0,2,0]=4 2343 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,1,0,0,0,0|0,2,0]=4 2344 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [1,1,0,0,0,0|2,0,0]=4 2345 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2346 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [1,1,0,0,0,0|1,0,0]=3 2347 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,1,0,0,0,0|1,0,0]=3 2348 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,1,0,0,0,0|1,0,0]=3 2349 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [1,1,0,0,0,0|1,1,0]=4 2350 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [1,1,0,0,0,0|1,1,0]=4 2351 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [1,1,0,0,0,0|1,1,0]=4 2352 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [1,1,0,0,0,0|1,1,0]=4 2353 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [1,1,0,0,0,0|1,1,0]=4 2354 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [1,1,0,0,0,0|1,1,0]=4 2355 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [1,1,0,0,0,0|1,1,0]=4 2356 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [1,1,0,0,0,0|1,1,0]=4 2357 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [1,1,0,0,0,0|1,1,0]=4 2358 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [1,1,0,0,0,0|1,1,0]=4 2359 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [1,1,0,0,0,0|1,1,0]=4 2360 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [1,1,0,0,0,0|2,0,0]=4 2361 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [1,1,0,0,0,0|2,0,0]=4 2362 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2363 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2364 B9R1.33 COCc1ccsc1Br 34a_100009816922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2365 B9R1.33 COCc1ccsc1Br 34a_100138415774_100009814289 [1,1,0,0,0,0|2,0,0]=4 2366 B9R1.33 COCc1ccsc1Br 7a_100009816922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2367 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [1,1,0,0,0,0|2,0,0]=4 2368 B9R1.33 COCc1cscc1Br 34a_100000724555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2369 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [1,1,0,0,0,0|2,0,0]=4 2370 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [1,1,0,0,0,0|2,0,0]=4 2371 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [1,1,0,0,0,0|2,0,0]=4 2372 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [1,1,0,0,0,0|2,0,0]=4 2373 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [1,1,0,0,0,0|0,0,0]=2 2374 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [1,1,0,0,0,0|0,0,0]=2 2375 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [1,1,0,0,0,0|1,0,0]=3 2376 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [1,1,0,0,0,0|1,0,0]=3 2377 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [1,1,0,0,0,0|1,0,0]=3 2378 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [1,1,0,0,0,0|0,1,0]=3 2379 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [1,1,0,0,0,0|0,1,0]=3 2380 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [1,1,0,0,0,0|0,1,0]=3 2381 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [1,1,0,0,0,0|0,1,0]=3 2382 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [1,1,0,0,0,0|0,1,0]=3 2383 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [1,1,0,0,0,0|1,1,0]=4 2384 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [1,1,0,0,0,0|1,1,0]=4 2385 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [1,1,0,0,0,0|1,1,0]=4 2386 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [1,1,0,0,0,0|0,0,0]=2 2387 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [1,1,0,0,0,0|0,0,0]=2 2388 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [1,1,0,0,0,0|1,1,0]=4 2389 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [1,1,0,0,0,0|1,1,0]=4 2390 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [1,1,0,0,0,0|0,1,0]=3 2391 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [1,1,0,0,0,0|0,1,0]=3 2392 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [1,1,0,0,0,0|1,0,0]=3 2393 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [1,1,0,0,0,0|1,0,0]=3 2394 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [1,1,0,0,0,0|1,0,0]=3 2395 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [1,1,0,0,0,0|1,1,0]=4 2396 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [1,1,0,0,0,0|1,1,0]=4 2397 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2398 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2399 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [1,1,0,0,0,0|2,0,0]=4 2400 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2401 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [1,1,0,0,0,0|2,0,0]=4 2402 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [1,1,0,0,0,0|2,0,0]=4 2403 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [1,1,0,0,0,0|1,1,0]=4 2404 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [1,1,0,0,0,0|1,1,0]=4 2405 B9R1.33 [13CH3]OCc1ccsc1Br 34a_100009816922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2406 B9R1.33 [13CH3]OCc1ccsc1Br 7a_100009816922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2407 B9R1.33 [13CH3]OCc1cscc1Br 34a_100000724555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2408 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [1,1,0,0,0,0|0,1,0]=3 2409 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [1,1,0,0,0,0|0,1,0]=3 2410 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [1,1,0,0,0,0|0,1,0]=3 2411 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [1,1,0,0,0,0|1,1,0]=4 2412 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,1,0,0,0,1|2,0,0]=4 2413 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,0,0,1|2,0,0]=4 2414 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,1,0,0,0,1|2,0,0]=4 2415 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,1|2,0,0]=4 2416 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,1|2,0,0]=4 2417 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,1|2,0,0]=4 2418 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,1|2,0,0]=4 2419 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,1|2,0,0]=4 2420 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,1|2,0,0]=4 2421 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,1|2,0,0]=4 2422 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,0,0,0,1|2,0,0]=4 2423 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,1|2,0,0]=4 2424 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,0,0,0,1|2,0,0]=4 2425 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,0,0,0,1|2,0,0]=4 2426 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,0,0,0,1|2,0,0]=4 2427 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,1|2,0,0]=4 2428 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,0,0,0,1|2,0,0]=4 2429 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,1|2,0,0]=4 2430 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,0,0,0,1|2,0,0]=4 2431 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,0,0,0,1|2,0,0]=4 2432 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,0,0,0,1|2,0,0]=4 2433 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [0,1,0,0,0,1|2,0,0]=4 2434 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [0,1,0,0,0,1|2,0,0]=4 2435 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [0,1,0,0,0,1|2,0,0]=4 2436 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [0,1,0,0,0,1|2,0,0]=4 2437 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [0,1,0,0,0,1|2,0,0]=4 2438 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [0,1,0,0,0,1|2,0,0]=4 2439 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [0,1,0,0,0,1|2,0,0]=4 2440 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [0,1,0,0,0,1|2,0,0]=4 2441 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [0,1,0,0,0,1|2,0,0]=4 2442 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [0,1,0,0,0,1|2,0,0]=4 2443 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [0,1,0,0,0,1|2,0,0]=4 2444 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [0,1,0,0,0,1|2,0,0]=4 2445 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [0,1,0,0,0,1|2,0,0]=4 2446 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,1|2,0,0]=4 2447 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,1|2,0,0]=4 2448 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,1|2,0,0]=4 2449 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,1|2,0,0]=4 2450 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,1|2,0,0]=4 2451 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,1|2,0,0]=4 2452 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,1|2,0,0]=4 2453 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,1|2,0,0]=4 2454 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,1|2,0,0]=4 2455 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,1|2,0,0]=4 2456 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,1|2,0,0]=4 2457 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,1|2,0,0]=4 2458 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,1|2,0,0]=4 2459 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,1|2,0,0]=4 2460 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,1|2,0,0]=4 2461 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,1|2,0,0]=4 2462 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,1|2,0,0]=4 2463 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,1|2,0,0]=4 2464 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,1|2,0,0]=4 2465 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,1|2,0,0]=4 2466 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,1|2,0,0]=4 2467 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,1|2,0,0]=4 2468 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,1|2,0,0]=4 2469 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,1|2,0,0]=4 2470 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,1|2,0,0]=4 2471 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,1|2,0,0]=4 2472 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [0,1,0,0,0,1|2,0,0]=4 2473 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [0,1,0,0,0,1|2,0,0]=4 2474 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [0,1,0,0,0,1|2,0,0]=4 2475 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [0,1,0,0,0,1|2,0,0]=4 2476 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,0,0,0,1|2,0,0]=4 2477 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,0,0,0,1|2,0,0]=4 2478 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,0,0,0,1|2,0,0]=4 2479 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,0,0,0,1|2,0,0]=4 2480 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,1,0,0,0,1|2,0,0]=4 2481 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,1,0,0,0,1|2,0,0]=4 2482 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,1,0,0,0,1|2,0,0]=4 2483 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,1,0,0,0,1|2,0,0]=4 2484 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [0,1,0,0,0,1|2,0,0]=4 2485 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [0,1,0,0,0,1|2,0,0]=4 2486 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [0,1,0,0,0,1|2,0,0]=4 2487 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [0,1,0,0,0,1|2,0,0]=4 2488 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [0,1,0,0,0,1|2,0,0]=4 2489 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [0,1,0,0,0,1|2,0,0]=4 2490 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [0,1,0,0,0,1|2,0,0]=4 2491 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [0,1,0,0,0,1|2,0,0]=4 2492 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [0,1,0,0,0,1|2,0,0]=4 2493 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [0,1,0,0,0,1|2,0,0]=4 2494 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [0,1,0,0,0,1|2,0,0]=4 2495 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [0,1,0,0,0,1|2,0,0]=4 2496 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [0,1,0,0,0,1|2,0,0]=4 2497 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [0,1,0,0,0,1|2,0,0]=4 2498 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [0,1,0,0,0,1|2,0,0]=4 2499 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [0,1,0,0,0,1|2,0,0]=4 2500 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [0,1,0,0,0,1|2,0,0]=4 2501 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [0,1,0,0,0,1|2,0,0]=4 2502 B11R1.1 CCNCc1ccc(nn1)Cl 2230a_100015525214_100016992710 [0,1,0,0,0,1|2,0,0]=4 2503 B11R1.1 CCNCc1ccc(nn1)Cl 270004a_100015525214_100000044651 [0,1,0,0,0,1|2,0,0]=4 2504 B11R1.1 CCNCc1cnc(cn1)C 2230a_100015525214_100000752025 [0,1,0,0,0,1|2,0,0]=4 2505 B11R1.1 CCNCc1cnc(cn1)C 270004a_100015525214_100000685221 [0,1,0,0,0,1|2,0,0]=4 2506 B11R1.1 CCNCc1cnc(cn1)C 34a_100132314150_100000210202 [0,1,0,0,0,1|2,0,0]=4 2507 B11R1.1 CCNCc1cnc(cn1)Cl 270004a_100015525214_100012001714 [0,1,0,0,0,1|2,0,0]=4 2508 B11R1.1 CCNCc1ncc(cn1)C 2230a_100015525214_100000685645 [0,1,0,0,0,1|2,0,0]=4 2509 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [0,1,0,0,0,1|1,0,0]=3 2510 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [0,1,0,0,0,1|1,0,0]=3 2511 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [0,1,0,0,0,1|1,0,0]=3 2512 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [0,1,0,0,0,1|1,0,0]=3 2513 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,1|1,0,0]=3 2514 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,1|1,0,0]=3 2515 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,1|1,0,0]=3 2516 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,1|1,0,0]=3 2517 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,1|1,0,0]=3 2518 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,1|1,0,0]=3 2519 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,1|1,0,0]=3 2520 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,1|1,0,0]=3 2521 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,1|1,0,0]=3 2522 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,1|1,0,0]=3 2523 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,1|1,0,0]=3 2524 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,1|1,0,0]=3 2525 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,1|1,0,0]=3 2526 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,1|1,0,0]=3 2527 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,1|1,0,0]=3 2528 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,1|1,0,0]=3 2529 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [0,1,0,0,0,1|1,0,0]=3 2530 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [0,1,0,0,0,1|1,0,0]=3 2531 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [0,1,0,0,0,1|1,0,0]=3 2532 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [0,1,0,0,0,1|1,0,0]=3 2533 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [0,1,0,0,0,1|1,0,0]=3 2534 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [0,1,0,0,0,1|1,0,0]=3 2535 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [0,1,0,0,0,1|1,0,0]=3 2536 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [0,1,0,0,0,1|1,0,0]=3 2537 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [0,1,0,0,0,1|1,0,0]=3 2538 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [0,1,0,0,0,1|1,0,0]=3 2539 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [0,1,0,0,0,1|1,0,0]=3 2540 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [0,1,0,0,0,1|1,0,0]=3 2541 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [0,1,0,0,0,1|1,0,0]=3 2542 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [0,1,0,0,0,1|1,0,0]=3 2543 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [0,1,0,0,0,1|1,0,0]=3 2544 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [0,1,0,0,0,1|1,0,0]=3 2545 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [0,1,0,0,0,1|1,0,0]=3 2546 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [0,1,0,0,0,1|1,0,0]=3 2547 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [0,1,0,0,0,1|1,0,0]=3 2548 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [0,1,0,0,0,1|1,0,0]=3 2549 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [0,1,0,0,0,1|1,0,0]=3 2550 B11R1.1 CCOCc1ccc(nn1)Cl 34a_100121572206_100016992710 [0,1,0,0,0,1|1,0,0]=3 2551 B11R1.1 CCOCc1cnc(cn1)C 34a_100011273949_100000210202 [0,1,0,0,0,1|1,0,0]=3 2552 B11R1.1 CCOCc1cnc(cn1)Cl 34a_100012002382_100000210202 [0,1,0,0,0,1|1,0,0]=3 2553 B11R1.1 CCOCc1cnc(nc1)C 34a_100011746891_100000210202 [0,1,0,0,0,1|2,0,0]=4 2554 B11R1.1 CCOCc1cnc(nc1)Cl 34a_100009855073_100000210202 [0,1,0,0,0,1|2,0,0]=4 2555 B11R1.1 CCOCc1cnc(nc1)Cl 7a_100009855073_100000210202 [0,1,0,0,0,1|2,0,0]=4 2556 B11R1.1 CCOCc1ncc(cn1)Br 34a_100121572206_100010064664 [0,1,0,0,0,1|1,0,0]=3 2557 B11R1.1 CCOCc1ncc(cn1)C 34a_100121572206_100000685645 [0,1,0,0,0,1|1,0,0]=3 2558 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,1|1,1,0]=4 2559 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,1|1,1,0]=4 2560 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,1|1,1,0]=4 2561 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,1|1,1,0]=4 2562 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,1|1,1,0]=4 2563 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,1|1,1,0]=4 2564 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,1|1,1,0]=4 2565 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,1|1,1,0]=4 2566 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,1|1,1,0]=4 2567 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,1|1,1,0]=4 2568 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [0,1,0,0,0,1|1,1,0]=4 2569 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [0,1,0,0,0,1|1,1,0]=4 2570 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [0,1,0,0,0,1|1,1,0]=4 2571 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [0,1,0,0,0,1|1,1,0]=4 2572 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [0,1,0,0,0,1|1,1,0]=4 2573 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [0,1,0,0,0,1|1,1,0]=4 2574 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [0,1,0,0,0,1|1,1,0]=4 2575 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [0,1,0,0,0,1|1,1,0]=4 2576 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [0,1,0,0,0,1|1,1,0]=4 2577 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [0,1,0,0,0,1|1,1,0]=4 2578 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [0,1,0,0,0,1|1,1,0]=4 2579 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [0,1,0,0,0,1|1,1,0]=4 2580 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [0,1,0,0,0,1|1,1,0]=4 2581 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [0,1,0,0,0,1|1,1,0]=4 2582 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [0,1,0,0,0,1|1,1,0]=4 2583 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [0,1,0,0,0,1|1,1,0]=4 2584 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100000210202_100016992710 [0,1,0,0,0,1|1,1,0]=4 2585 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100016992710_100000210202 [0,1,0,0,0,1|1,1,0]=4 2586 B11R1.1 CCSCc1cnc(cn1)C 62a_100000210202_100000752025 [0,1,0,0,0,1|1,1,0]=4 2587 B11R1.1 CCSCc1cnc(cn1)C 62a_100000752025_100000210202 [0,1,0,0,0,1|1,1,0]=4 2588 B11R1.1 CCSCc1ncc(cn1)Br 62a_100000210202_100010064664 [0,1,0,0,0,1|1,1,0]=4 2589 B11R1.1 CCSCc1ncc(cn1)Br 62a_100010064664_100000210202 [0,1,0,0,0,1|1,1,0]=4 2590 B11R1.1 CCSCc1ncc(cn1)C 62a_100000210202_100000685645 [0,1,0,0,0,1|1,1,0]=4 2591 B11R1.1 CCSCc1ncc(cn1)C 62a_100000685645_100000210202 [0,1,0,0,0,1|1,1,0]=4 2592 B11R1.1 C[n+]1ccc(cc1)COCF 34a_100009831711_100015361967 [0,1,0,0,0,1|2,0,0]=4 2593 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,1|2,0,0]=4 2594 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,1|2,0,0]=4 2595 B11R1.1 Cc1ccc(cn1)COCF 34a_100011248133_100015361967 [0,1,0,0,0,1|2,0,0]=4 2596 B11R1.1 Cc1ccc(nc1)COCF 34a_100012001401_100015361967 [0,1,0,0,0,1|2,0,0]=4 2597 B11R1.1 Cc1cnc(cn1)COCF 34a_100011273949_100015361967 [0,1,0,0,0,1|2,0,0]=4 2598 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,1|2,0,0]=4 2599 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,1|2,0,0]=4 2600 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,1|2,0,0]=4 2601 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,1|2,0,0]=4 2602 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,1|2,0,0]=4 2603 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,1|2,0,0]=4 2604 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,1|2,0,0]=4 2605 B11R1.1 FCOCc1ccc(cn1)Br 34a_100000754261_100015361967 [0,1,0,0,0,1|2,0,0]=4 2606 B11R1.1 FCOCc1ccc(cn1)Cl 34a_100000703999_100015361967 [0,1,0,0,0,1|2,0,0]=4 2607 B11R1.1 FCOCc1ccc(cn1)F 34a_100011999454_100015361967 [0,1,0,0,0,1|2,0,0]=4 2608 B11R1.1 FCOCc1ccc(nc1)Br 34a_100009816760_100015361967 [0,1,0,0,0,1|2,0,0]=4 2609 B11R1.1 FCOCc1ccc(nc1)Br 7a_100009816760_100015361967 [0,1,0,0,0,1|2,0,0]=4 2610 B11R1.1 FCOCc1ccc(nc1)Cl 34a_100000755211_100015361967 [0,1,0,0,0,1|2,0,0]=4 2611 B11R1.1 FCOCc1ccc(nc1)Cl 7a_100000755211_100015361967 [0,1,0,0,0,1|2,0,0]=4 2612 B11R1.1 FCOCc1ccc(nc1)F 34a_100000079959_100015361967 [0,1,0,0,0,1|2,0,0]=4 2613 B11R1.1 FCOCc1cnc(cn1)Cl 34a_100012002382_100015361967 [0,1,0,0,0,1|2,0,0]=4 2614 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,1|2,0,0]=4 2615 B11R1.1 Nc1ccc(cn1)COCF 34a_100000704267_100015361967 [0,1,0,0,0,1|2,0,0]=4 2616 B11R1.1 Nc1ccc(nc1)COCF 34a_100011998161_100015361967 [0,1,0,0,0,1|2,0,0]=4 2617 B11R1.1 O=c1ccc(c[nH]1)COCF 34a_100011999846_100015361967 [0,1,0,0,0,1|2,0,0]=4 2618 B11R1.1 [O-][n+]1ccc(cc1)COCF 34a_100000031831_100015361967 [0,1,0,0,0,1|2,0,0]=4 2619 B11R1.1 [O-][n+]1ccc(cc1)COCF 7a_100000031831_100015361967 [0,1,0,0,0,1|2,0,0]=4 2620 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,1|2,0,0]=4 2621 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,1|2,0,0]=4 2622 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,1|2,0,0]=4 2623 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,1|2,0,0]=4 2624 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,1|2,0,0]=4 2625 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,1|2,0,0]=4 2626 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,1,0,0,0,1|2,0,0]=4 2627 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,1|2,0,0]=4 2628 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,1|2,0,0]=4 2629 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,1,0,0,0,1|2,0,0]=4 2630 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,1,0,0,0,1|2,0,0]=4 2631 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,1,0,0,0,1|2,0,0]=4 2632 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,1,0,0,0,1|2,0,0]=4 2633 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,1|2,0,0]=4 2634 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,1,0,0,0,1|2,0,0]=4 2635 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,1|1,0,0]=3 2636 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,1|1,0,0]=3 2637 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,1|1,0,0]=3 2638 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,1|1,1,0]=4 2639 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,1|1,1,0]=4 2640 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,1,0,0,0,1|1,1,0]=4 2641 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,1,0,0,0,1|1,1,0]=4 2642 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,1|2,0,0]=4 2643 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,1|2,0,0]=4 2644 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,0,0,1|2,0,0]=4 2645 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,0,0,0,1|2,0,0]=4 2646 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,0,0,1|2,0,0]=4 2647 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,1|2,0,0]=4 2648 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,0,0,0,1|2,0,0]=4 2649 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,1|2,0,0]=4 2650 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,1|2,0,0]=4 2651 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,1|2,0,0]=4 2652 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,1|2,0,0]=4 2653 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,1|2,0,0]=4 2654 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,1|2,0,0]=4 2655 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,0,0,1|2,0,0]=4 2656 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,1|2,0,0]=4 2657 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,0,0,1|2,0,0]=4 2658 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,0,0,1|2,0,0]=4 2659 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,0,0,1|2,0,0]=4 2660 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,1,0,0,0,1|2,0,0]=4 2661 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,1|2,0,0]=4 2662 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,1,0,0,0,1|2,0,0]=4 2663 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,1,0,0,0,1|2,0,0]=4 2664 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,1,0,0,0,1|2,0,0]=4 2665 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,0,0,1|2,0,0]=4 2666 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,0,0,0,1|2,0,0]=4 2667 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,0,0,0,1|2,0,0]=4 2668 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,0,0,0,1|2,0,0]=4 2669 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,0,0,0,1|2,0,0]=4 2670 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,0,0,0,1|2,0,0]=4 2671 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,1,0,0,0,1|2,0,0]=4 2672 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,0,0,0,1|2,0,0]=4 2673 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,0,0,0,1|2,0,0]=4 2674 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,0,0,0,1|2,0,0]=4 2675 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,0,0,0,1|2,0,0]=4 2676 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,0,0,0,1|2,0,0]=4 2677 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,0,0,1|2,0,0]=4 2678 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,1,0,0,0,1|2,0,0]=4 2679 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [0,1,0,0,0,1|2,0,0]=4 2680 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [0,1,0,0,0,1|2,0,0]=4 2681 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,1,0,0,0,1|2,0,0]=4 2682 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [0,1,0,0,0,1|2,0,0]=4 2683 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [0,1,0,0,0,1|2,0,0]=4 2684 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,1,0,0,0,1|2,0,0]=4 2685 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [0,1,0,0,0,1|2,0,0]=4 2686 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,0,0,1|2,0,0]=4 2687 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,0,0,1|2,0,0]=4 2688 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,0,0,1|2,0,0]=4 2689 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,1|2,0,0]=4 2690 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,1|2,0,0]=4 2691 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,1|2,0,0]=4 2692 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,1|2,0,0]=4 2693 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,1|2,0,0]=4 2694 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,1|2,0,0]=4 2695 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,1|2,0,0]=4 2696 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,1|2,0,0]=4 2697 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,1|2,0,0]=4 2698 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,1|2,0,0]=4 2699 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,1|2,0,0]=4 2700 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,1|2,0,0]=4 2701 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,1|2,0,0]=4 2702 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,1|2,0,0]=4 2703 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,1|2,0,0]=4 2704 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,1|2,0,0]=4 2705 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,1|2,0,0]=4 2706 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,1|2,0,0]=4 2707 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,1|2,0,0]=4 2708 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,1|2,0,0]=4 2709 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,1|2,0,0]=4 2710 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,1|2,0,0]=4 2711 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,1,0,0,0,1|2,0,0]=4 2712 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,1,0,0,0,1|2,0,0]=4 2713 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,1,0,0,0,1|2,0,0]=4 2714 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,0,0,0,1|2,0,0]=4 2715 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,0,0,0,1|2,0,0]=4 2716 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,0,0,0,1|2,0,0]=4 2717 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,1,0,0,0,1|2,0,0]=4 2718 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,1,0,0,0,1|2,0,0]=4 2719 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,1,0,0,0,1|2,0,0]=4 2720 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,1,0,0,0,1|2,0,0]=4 2721 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,1,0,0,0,1|2,0,0]=4 2722 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,1,0,0,0,1|2,0,0]=4 2723 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,1,0,0,0,1|2,0,0]=4 2724 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [0,1,0,0,0,1|2,0,0]=4 2725 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [0,1,0,0,0,1|2,0,0]=4 2726 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [0,1,0,0,0,1|2,0,0]=4 2727 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [0,1,0,0,0,1|2,0,0]=4 2728 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [0,1,0,0,0,1|2,0,0]=4 2729 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [0,1,0,0,0,1|2,0,0]=4 2730 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [0,1,0,0,0,1|2,0,0]=4 2731 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [0,1,0,0,0,1|2,0,0]=4 2732 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [0,1,0,0,0,1|2,0,0]=4 2733 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [0,1,0,0,0,1|2,0,0]=4 2734 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [0,1,0,0,0,1|2,0,0]=4 2735 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,1,0,0,0,1|2,0,0]=4 2736 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,1,0,0,0,1|2,0,0]=4 2737 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,1,0,0,0,1|2,0,0]=4 2738 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,1,0,0,0,1|2,0,0]=4 2739 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,1,0,0,0,1|2,0,0]=4 2740 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,1,0,0,0,1|2,0,0]=4 2741 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,1,0,0,0,1|2,0,0]=4 2742 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,1,0,0,0,1|2,0,0]=4 2743 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,1,0,0,0,1|2,0,0]=4 2744 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,1,0,0,0,1|2,0,0]=4 2745 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,1,0,0,0,1|2,0,0]=4 2746 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,1,0,0,0,1|2,0,0]=4 2747 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,1,0,0,0,1|2,0,0]=4 2748 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,1,0,0,0,1|2,0,0]=4 2749 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,1,0,0,0,1|2,0,0]=4 2750 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [0,1,0,0,0,1|2,0,0]=4 2751 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [0,1,0,0,0,1|2,0,0]=4 2752 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [0,1,0,0,0,1|2,0,0]=4 2753 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [0,1,0,0,0,1|2,0,0]=4 2754 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,1|1,0,0]=3 2755 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,1|1,0,0]=3 2756 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,1|1,0,0]=3 2757 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,1|1,0,0]=3 2758 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,1|1,0,0]=3 2759 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,1|1,0,0]=3 2760 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,1|1,0,0]=3 2761 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,1|1,0,0]=3 2762 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,1|1,0,0]=3 2763 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,1|1,0,0]=3 2764 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,1|1,0,0]=3 2765 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,1|1,0,0]=3 2766 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,1|1,0,0]=3 2767 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,1|1,0,0]=3 2768 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,1|1,0,0]=3 2769 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,1|1,0,0]=3 2770 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,1|1,0,0]=3 2771 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [0,1,0,0,0,1|1,0,0]=3 2772 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [0,1,0,0,0,1|1,0,0]=3 2773 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [0,1,0,0,0,1|1,0,0]=3 2774 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,1,0,0,0,1|1,0,0]=3 2775 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,1,0,0,0,1|1,0,0]=3 2776 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,1,0,0,0,1|1,0,0]=3 2777 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [0,1,0,0,0,1|1,0,0]=3 2778 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [0,1,0,0,0,1|1,0,0]=3 2779 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [0,1,0,0,0,1|1,0,0]=3 2780 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [0,1,0,0,0,1|1,0,0]=3 2781 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [0,1,0,0,0,1|1,0,0]=3 2782 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [0,1,0,0,0,1|1,0,0]=3 2783 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [0,1,0,0,0,1|1,0,0]=3 2784 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [0,1,0,0,0,1|1,0,0]=3 2785 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [0,1,0,0,0,1|1,0,0]=3 2786 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [0,1,0,0,0,1|1,0,0]=3 2787 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [0,1,0,0,0,1|1,0,0]=3 2788 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [0,1,0,0,0,1|1,0,0]=3 2789 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [0,1,0,0,0,1|1,0,0]=3 2790 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [0,1,0,0,0,1|1,0,0]=3 2791 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [0,1,0,0,0,1|1,0,0]=3 2792 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [0,1,0,0,0,1|1,0,0]=3 2793 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [0,1,0,0,0,1|1,0,0]=3 2794 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [0,1,0,0,0,1|1,0,0]=3 2795 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [0,1,0,0,0,1|1,0,0]=3 2796 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [0,1,0,0,0,1|1,0,0]=3 2797 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,1,0,0,0,1|1,0,0]=3 2798 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [0,1,0,0,0,1|1,0,0]=3 2799 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,1|1,1,0]=4 2800 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,1|1,1,0]=4 2801 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,1|1,1,0]=4 2802 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,1|1,1,0]=4 2803 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,1|1,1,0]=4 2804 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,1|1,1,0]=4 2805 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,1|1,1,0]=4 2806 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,1|1,1,0]=4 2807 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,1|1,1,0]=4 2808 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,1|1,1,0]=4 2809 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,1|1,1,0]=4 2810 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [0,1,0,0,0,1|1,1,0]=4 2811 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [0,1,0,0,0,1|1,1,0]=4 2812 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,1,0,0,0,1|1,1,0]=4 2813 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,1,0,0,0,1|1,1,0]=4 2814 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [0,1,0,0,0,1|1,1,0]=4 2815 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [0,1,0,0,0,1|1,1,0]=4 2816 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [0,1,0,0,0,1|1,1,0]=4 2817 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [0,1,0,0,0,1|1,1,0]=4 2818 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [0,1,0,0,0,1|1,1,0]=4 2819 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [0,1,0,0,0,1|1,1,0]=4 2820 B11R1.17 CCSCc1ccncc1Cl 62a_100000210202_100000763264 [0,1,0,0,0,1|1,1,0]=4 2821 B11R1.17 CCSCc1ccncc1Cl 62a_100000763264_100000210202 [0,1,0,0,0,1|1,1,0]=4 2822 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [0,1,0,0,0,1|1,1,0]=4 2823 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [0,1,0,0,0,1|1,1,0]=4 2824 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [0,1,0,0,0,1|1,1,0]=4 2825 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [0,1,0,0,0,1|1,1,0]=4 2826 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [0,1,0,0,0,1|1,1,0]=4 2827 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [0,1,0,0,0,1|1,1,0]=4 2828 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [0,1,0,0,0,1|1,1,0]=4 2829 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [0,1,0,0,0,1|1,1,0]=4 2830 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [0,1,0,0,0,1|1,1,0]=4 2831 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [0,1,0,0,0,1|1,1,0]=4 2832 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,1,0,0,0,1|1,1,0]=4 2833 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,1,0,0,0,1|1,1,0]=4 2834 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,1,0,0,0,1|2,0,0]=4 2835 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,1,0,0,0,1|2,0,0]=4 2836 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [0,1,0,0,0,1|2,0,0]=4 2837 B11R1.17 Cc1ccncc1COCF 34a_100011996381_100015361967 [0,1,0,0,0,1|2,0,0]=4 2838 B11R1.17 Cc1cnccc1COCF 34a_100011997032_100015361967 [0,1,0,0,0,1|2,0,0]=4 2839 B11R1.17 Cc1ncccc1COCF 34a_100000729262_100015361967 [0,1,0,0,0,1|2,0,0]=4 2840 B11R1.17 Cc1ncccc1COCF 7a_100000729262_100015361967 [0,1,0,0,0,1|2,0,0]=4 2841 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,1,0,0,0,1|2,0,0]=4 2842 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,1,0,0,0,1|2,0,0]=4 2843 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,1,0,0,0,1|2,0,0]=4 2844 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,1,0,0,0,1|2,0,0]=4 2845 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,1,0,0,0,1|2,0,0]=4 2846 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,1,0,0,0,1|2,0,0]=4 2847 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,1,0,0,0,1|2,0,0]=4 2848 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,1,0,0,0,1|2,0,0]=4 2849 B11R1.17 FCOCc1cccnc1Br 34a_100000719692_100015361967 [0,1,0,0,0,1|2,0,0]=4 2850 B11R1.17 FCOCc1cccnc1Br 7a_100000719692_100015361967 [0,1,0,0,0,1|2,0,0]=4 2851 B11R1.17 FCOCc1cccnc1Cl 34a_100000748726_100015361967 [0,1,0,0,0,1|2,0,0]=4 2852 B11R1.17 FCOCc1cccnc1Cl 7a_100000748726_100015361967 [0,1,0,0,0,1|2,0,0]=4 2853 B11R1.17 FCOCc1cccnc1F 34a_100000079888_100015361967 [0,1,0,0,0,1|2,0,0]=4 2854 B11R1.17 FCOCc1cccnc1F 7a_100000079888_100015361967 [0,1,0,0,0,1|2,0,0]=4 2855 B11R1.17 FCOCc1ccncc1F 34a_100012172863_100015361967 [0,1,0,0,0,1|2,0,0]=4 2856 B11R1.17 FCOCc1cnccc1Cl 34a_100000117392_100015361967 [0,1,0,0,0,1|2,0,0]=4 2857 B11R1.17 FCOCc1ncccc1Br 34a_100011996772_100015361967 [0,1,0,0,0,1|2,0,0]=4 2858 B11R1.17 FCOCc1ncccc1Cl 34a_100012002383_100015361967 [0,1,0,0,0,1|2,0,0]=4 2859 B11R1.17 FCOCc1ncccc1F 34a_100011934865_100015361967 [0,1,0,0,0,1|2,0,0]=4 2860 B11R1.17 FCOCc1nccnc1Cl 34a_100000057004_100015361967 [0,1,0,0,0,1|2,0,0]=4 2861 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,1,0,0,0,1|2,0,0]=4 2862 B11R1.17 Nc1cccnc1COCF 34a_114873767017_100015361967 [0,1,0,0,0,1|2,0,0]=4 2863 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [0,1,0,0,0,1|2,0,0]=4 2864 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,0,0,0,1|2,0,0]=4 2865 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,0,0,0,1|2,0,0]=4 2866 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,0,0,0,1|2,0,0]=4 2867 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,0,0,0,1|2,0,0]=4 2868 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,0,0,1|2,0,0]=4 2869 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [0,1,0,0,0,1|2,0,0]=4 2870 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [0,1,0,0,0,1|2,0,0]=4 2871 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [0,1,0,0,0,1|2,0,0]=4 2872 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [0,1,0,0,0,1|2,0,0]=4 2873 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [0,1,0,0,0,1|2,0,0]=4 2874 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [0,1,0,0,0,1|2,0,0]=4 2875 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,0,0,1|2,0,0]=4 2876 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [0,1,0,0,0,1|2,0,0]=4 2877 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,0,0,0,1|2,0,0]=4 2878 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,0,0,0,1|2,0,0]=4 2879 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,0,0,1|2,0,0]=4 2880 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,1|2,0,0]=4 2881 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,1|2,0,0]=4 2882 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,1|2,0,0]=4 2883 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,1|2,0,0]=4 2884 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,1|2,0,0]=4 2885 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,1|2,0,0]=4 2886 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,1|2,0,0]=4 2887 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,1|2,0,0]=4 2888 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,0,0,0,1|2,0,0]=4 2889 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,0,0,0,1|2,0,0]=4 2890 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,0,0,0,1|2,0,0]=4 2891 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,0,0,0,1|2,0,0]=4 2892 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [0,1,0,0,0,1|2,0,0]=4 2893 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,1|2,0,0]=4 2894 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [0,1,0,0,0,1|2,0,0]=4 2895 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [0,1,0,0,0,1|2,0,0]=4 2896 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [0,1,0,0,0,1|2,0,0]=4 2897 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [0,1,0,0,0,1|2,0,0]=4 2898 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [0,1,0,0,0,1|2,0,0]=4 2899 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,0,0,0,1|2,0,0]=4 2900 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,0,0,0,1|2,0,0]=4 2901 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,0,0,0,1|2,0,0]=4 2902 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,0,0,0,1|2,0,0]=4 2903 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,0,0,0,1|2,0,0]=4 2904 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,0,0,1|2,0,0]=4 2905 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [0,1,0,0,0,1|2,0,0]=4 2906 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [0,1,0,0,0,1|2,0,0]=4 2907 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [0,1,0,0,0,1|2,0,0]=4 2908 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,1,0,0,0,1|2,0,0]=4 2909 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [0,1,0,0,0,1|2,0,0]=4 2910 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [0,1,0,0,0,1|2,0,0]=4 2911 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,1,0,0,0,1|2,0,0]=4 2912 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [0,1,0,0,0,1|2,0,0]=4 2913 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [0,1,0,0,0,1|2,0,0]=4 2914 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [0,1,0,0,0,1|2,0,0]=4 2915 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [0,1,0,0,0,1|2,0,0]=4 2916 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [0,1,0,0,0,1|2,0,0]=4 2917 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [0,1,0,0,0,1|2,0,0]=4 2918 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [0,1,0,0,0,1|2,0,0]=4 2919 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [0,1,0,0,0,1|2,0,0]=4 2920 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [0,1,0,0,0,1|2,0,0]=4 2921 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,1|2,0,0]=4 2922 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,1|2,0,0]=4 2923 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,1|2,0,0]=4 2924 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,1|2,0,0]=4 2925 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,1|2,0,0]=4 2926 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,1|2,0,0]=4 2927 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,1|2,0,0]=4 2928 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,1|2,0,0]=4 2929 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,1|2,0,0]=4 2930 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,1|2,0,0]=4 2931 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,1|2,0,0]=4 2932 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,1|2,0,0]=4 2933 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,1|2,0,0]=4 2934 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,1|2,0,0]=4 2935 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,1|2,0,0]=4 2936 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,1|2,0,0]=4 2937 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,1|2,0,0]=4 2938 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,1|2,0,0]=4 2939 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,1|2,0,0]=4 2940 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,1|2,0,0]=4 2941 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,1|2,0,0]=4 2942 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,1|2,0,0]=4 2943 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,1|2,0,0]=4 2944 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,1|2,0,0]=4 2945 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,1|2,0,0]=4 2946 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,1|2,0,0]=4 2947 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,1|2,0,0]=4 2948 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,1|2,0,0]=4 2949 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,1|2,0,0]=4 2950 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,1|2,0,0]=4 2951 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,1|2,0,0]=4 2952 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [0,1,0,0,0,1|2,0,0]=4 2953 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [0,1,0,0,0,1|2,0,0]=4 2954 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [0,1,0,0,0,1|2,0,0]=4 2955 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [0,1,0,0,0,1|2,0,0]=4 2956 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [0,1,0,0,0,1|2,0,0]=4 2957 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [0,1,0,0,0,1|2,0,0]=4 2958 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [0,1,0,0,0,1|2,0,0]=4 2959 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [0,1,0,0,0,1|2,0,0]=4 2960 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [0,1,0,0,0,1|2,0,0]=4 2961 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [0,1,0,0,0,1|2,0,0]=4 2962 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [0,1,0,0,0,1|2,0,0]=4 2963 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [0,1,0,0,0,1|2,0,0]=4 2964 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [0,1,0,0,0,1|2,0,0]=4 2965 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [0,1,0,0,0,1|2,0,0]=4 2966 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100015525214_100010243470 [0,1,0,0,0,1|2,0,0]=4 2967 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100025757509_100000210202 [0,1,0,0,0,1|2,0,0]=4 2968 B11R1.24 CCNCc1ccnc(c1)Br 270004a_100015525214_100009814634 [0,1,0,0,0,1|2,0,0]=4 2969 B11R1.24 CCNCc1ccnc(c1)Br 34a_100025757509_100000210202 [0,1,0,0,0,1|2,0,0]=4 2970 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [0,1,0,0,0,1|2,0,0]=4 2971 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [0,1,0,0,0,1|2,0,0]=4 2972 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [0,1,0,0,0,1|2,0,0]=4 2973 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [0,1,0,0,0,1|2,0,0]=4 2974 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210202 [0,1,0,0,0,1|2,0,0]=4 2975 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015525214_100000764220 [0,1,0,0,0,1|2,0,0]=4 2976 B11R1.24 CCNCc1ccnc(c1)Cl 270004a_100015525214_100011290808 [0,1,0,0,0,1|2,0,0]=4 2977 B11R1.24 CCNCc1ccnc(c1)Cl 34a_100015205668_100000210202 [0,1,0,0,0,1|2,0,0]=4 2978 B11R1.24 CCNCc1ccnc(c1)F 2230a_100015188774_100000210202 [0,1,0,0,0,1|2,0,0]=4 2979 B11R1.24 CCNCc1ccnc(c1)F 270004a_100015525214_100000068331 [0,1,0,0,0,1|2,0,0]=4 2980 B11R1.24 CCNCc1ccnc(c1)F 34a_100015188774_100000210202 [0,1,0,0,0,1|2,0,0]=4 2981 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [0,1,0,0,0,1|2,0,0]=4 2982 B11R1.24 CCNCc1ccnc(n1)C 270004a_100015525214_100011361539 [0,1,0,0,0,1|2,0,0]=4 2983 B11R1.24 CCNCc1ccnc(n1)Cl 2230a_100015525214_100000099655 [0,1,0,0,0,1|2,0,0]=4 2984 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [0,1,0,0,0,1|2,0,0]=4 2985 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [0,1,0,0,0,1|2,0,0]=4 2986 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [0,1,0,0,0,1|2,0,0]=4 2987 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [0,1,0,0,0,1|2,0,0]=4 2988 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [0,1,0,0,0,1|2,0,0]=4 2989 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [0,1,0,0,0,1|2,0,0]=4 2990 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [0,1,0,0,0,1|2,0,0]=4 2991 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [0,1,0,0,0,1|2,0,0]=4 2992 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [0,1,0,0,0,1|2,0,0]=4 2993 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [0,1,0,0,0,1|2,0,0]=4 2994 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [0,1,0,0,0,1|2,0,0]=4 2995 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [0,1,0,0,0,1|2,0,0]=4 2996 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [0,1,0,0,0,1|2,0,0]=4 2997 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [0,1,0,0,0,1|2,0,0]=4 2998 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [0,1,0,0,0,1|2,0,0]=4 2999 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [0,1,0,0,0,1|2,0,0]=4 3000 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [0,1,0,0,0,1|2,0,0]=4 3001 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [0,1,0,0,0,1|2,0,0]=4 3002 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [0,1,0,0,0,1|2,0,0]=4 3003 B11R1.24 CCNCc1cncc(n1)C 207a_100015525214_100000100294 [0,1,0,0,0,1|2,0,0]=4 3004 B11R1.24 CCNCc1cncc(n1)C 270004a_100015525214_100000100294 [0,1,0,0,0,1|2,0,0]=4 3005 B11R1.24 CCNCc1nccc(n1)C 2230a_100015186494_100000210202 [0,1,0,0,0,1|2,0,0]=4 3006 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [0,1,0,0,0,1|1,0,0]=3 3007 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [0,1,0,0,0,1|1,0,0]=3 3008 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [0,1,0,0,0,1|1,0,0]=3 3009 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [0,1,0,0,0,1|1,0,0]=3 3010 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [0,1,0,0,0,1|1,0,0]=3 3011 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [0,1,0,0,0,1|1,0,0]=3 3012 B11R1.24 CCOCc1cc(cnn1)C 34a_100016212594_100000210202 [0,1,0,0,0,1|1,0,0]=3 3013 B11R1.24 CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210202 [0,1,0,0,0,1|1,0,0]=3 3014 B11R1.24 CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210202 [0,1,0,0,0,1|1,0,0]=3 3015 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,1|1,0,0]=3 3016 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,1|1,0,0]=3 3017 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,1|1,0,0]=3 3018 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,1|1,0,0]=3 3019 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,1|1,0,0]=3 3020 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,1|1,0,0]=3 3021 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,1|1,0,0]=3 3022 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,1|1,0,0]=3 3023 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,1|1,0,0]=3 3024 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,1|1,0,0]=3 3025 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,1|1,0,0]=3 3026 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,1|1,0,0]=3 3027 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,1|1,0,0]=3 3028 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,1|1,0,0]=3 3029 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,1|1,0,0]=3 3030 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,1|1,0,0]=3 3031 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,1|1,0,0]=3 3032 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,1|1,0,0]=3 3033 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [0,1,0,0,0,1|1,0,0]=3 3034 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [0,1,0,0,0,1|1,0,0]=3 3035 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [0,1,0,0,0,1|1,0,0]=3 3036 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [0,1,0,0,0,1|1,0,0]=3 3037 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [0,1,0,0,0,1|1,0,0]=3 3038 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [0,1,0,0,0,1|1,0,0]=3 3039 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [0,1,0,0,0,1|1,0,0]=3 3040 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [0,1,0,0,0,1|1,0,0]=3 3041 B11R1.24 CCOCc1ccnc(c1)Br 34a_100009814636_100000210202 [0,1,0,0,0,1|1,0,0]=3 3042 B11R1.24 CCOCc1ccnc(c1)Br 34a_100121572206_100010243470 [0,1,0,0,0,1|1,0,0]=3 3043 B11R1.24 CCOCc1ccnc(c1)Br 7a_100009814636_100000210202 [0,1,0,0,0,1|1,0,0]=3 3044 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [0,1,0,0,0,1|1,0,0]=3 3045 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [0,1,0,0,0,1|1,0,0]=3 3046 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100000748751_100000210202 [0,1,0,0,0,1|1,0,0]=3 3047 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100121572206_100000764220 [0,1,0,0,0,1|1,0,0]=3 3048 B11R1.24 CCOCc1ccnc(c1)F 34a_100000082451_100000210202 [0,1,0,0,0,1|1,0,0]=3 3049 B11R1.24 CCOCc1ccnc(n1)Cl 34a_100121572206_100000099655 [0,1,0,0,0,1|1,0,0]=3 3050 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [0,1,0,0,0,1|1,0,0]=3 3051 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [0,1,0,0,0,1|1,0,0]=3 3052 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [0,1,0,0,0,1|1,0,0]=3 3053 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [0,1,0,0,0,1|1,0,0]=3 3054 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [0,1,0,0,0,1|1,0,0]=3 3055 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [0,1,0,0,0,1|1,0,0]=3 3056 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [0,1,0,0,0,1|1,0,0]=3 3057 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [0,1,0,0,0,1|1,0,0]=3 3058 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [0,1,0,0,0,1|1,0,0]=3 3059 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [0,1,0,0,0,1|1,0,0]=3 3060 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [0,1,0,0,0,1|1,0,0]=3 3061 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [0,1,0,0,0,1|1,0,0]=3 3062 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [0,1,0,0,0,1|1,0,0]=3 3063 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [0,1,0,0,0,1|1,1,0]=4 3064 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [0,1,0,0,0,1|1,1,0]=4 3065 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [0,1,0,0,0,1|1,1,0]=4 3066 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [0,1,0,0,0,1|1,1,0]=4 3067 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [0,1,0,0,0,1|1,1,0]=4 3068 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [0,1,0,0,0,1|1,1,0]=4 3069 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,1|1,1,0]=4 3070 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,1|1,1,0]=4 3071 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,1|1,1,0]=4 3072 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,1|1,1,0]=4 3073 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,1|1,1,0]=4 3074 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,1|1,1,0]=4 3075 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,1|1,1,0]=4 3076 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,1|1,1,0]=4 3077 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,1|1,1,0]=4 3078 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,1|1,1,0]=4 3079 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,1|1,1,0]=4 3080 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,1|1,1,0]=4 3081 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [0,1,0,0,0,1|1,1,0]=4 3082 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [0,1,0,0,0,1|1,1,0]=4 3083 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [0,1,0,0,0,1|1,1,0]=4 3084 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [0,1,0,0,0,1|1,1,0]=4 3085 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [0,1,0,0,0,1|1,1,0]=4 3086 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [0,1,0,0,0,1|1,1,0]=4 3087 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [0,1,0,0,0,1|1,1,0]=4 3088 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [0,1,0,0,0,1|1,1,0]=4 3089 B11R1.24 CCSCc1ccnc(c1)Br 62a_100000210202_100010243470 [0,1,0,0,0,1|1,1,0]=4 3090 B11R1.24 CCSCc1ccnc(c1)Br 62a_100010254460_100000210202 [0,1,0,0,0,1|1,1,0]=4 3091 B11R1.24 CCSCc1ccnc(c1)C 62a_100000210202_200020672517 [0,1,0,0,0,1|1,1,0]=4 3092 B11R1.24 CCSCc1ccnc(c1)C 62a_200020672517_100000210202 [0,1,0,0,0,1|1,1,0]=4 3093 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000210202_100000764220 [0,1,0,0,0,1|1,1,0]=4 3094 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000764220_100000210202 [0,1,0,0,0,1|1,1,0]=4 3095 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000099655_100000210202 [0,1,0,0,0,1|1,1,0]=4 3096 B11R1.24 CCSCc1ccnc(n1)Cl 62a_100000210202_100000099655 [0,1,0,0,0,1|1,1,0]=4 3097 B11R1.24 CCSCc1cncc(c1)Br 62a_100000210202_100000738771 [0,1,0,0,0,1|1,1,0]=4 3098 B11R1.24 CCSCc1cncc(c1)Br 62a_100000738771_100000210202 [0,1,0,0,0,1|1,1,0]=4 3099 B11R1.24 CCSCc1cncc(c1)C 62a_100000210202_100000716715 [0,1,0,0,0,1|1,1,0]=4 3100 B11R1.24 CCSCc1cncc(c1)C 62a_100000716715_100000210202 [0,1,0,0,0,1|1,1,0]=4 3101 B11R1.24 CCSCc1cncc(c1)Cl 62a_100000210202_100016992070 [0,1,0,0,0,1|1,1,0]=4 3102 B11R1.24 CCSCc1cncc(c1)Cl 62a_100016992070_100000210202 [0,1,0,0,0,1|1,1,0]=4 3103 B11R1.24 CCSCc1cncc(c1)F 62a_100000210202_100000725299 [0,1,0,0,0,1|1,1,0]=4 3104 B11R1.24 CCSCc1cncc(c1)F 62a_100000725299_100000210202 [0,1,0,0,0,1|1,1,0]=4 3105 B11R1.24 Cc1cc(ccn1)COCF 34a_100011998630_100015361967 [0,1,0,0,0,1|2,0,0]=4 3106 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [0,1,0,0,0,1|2,0,0]=4 3107 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [0,1,0,0,0,1|2,0,0]=4 3108 B11R1.24 Cc1cccc(n1)COCF 34a_100000690600_100015361967 [0,1,0,0,0,1|2,0,0]=4 3109 B11R1.24 Cc1ccnc(c1)COCF 34a_100011998357_100015361967 [0,1,0,0,0,1|2,0,0]=4 3110 B11R1.24 Cc1cncc(c1)COCF 34a_100011998709_100015361967 [0,1,0,0,0,1|2,0,0]=4 3111 B11R1.24 Cc1cncc(c1)COCF 7a_100011998709_100015361967 [0,1,0,0,0,1|2,0,0]=4 3112 B11R1.24 Cc1cnnc(c1)COCF 34a_100016212594_100015361967 [0,1,0,0,0,1|2,0,0]=4 3113 B11R1.24 FCOCc1cc(ccn1)Cl 34a_100000748867_100015361967 [0,1,0,0,0,1|2,0,0]=4 3114 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [0,1,0,0,0,1|2,0,0]=4 3115 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [0,1,0,0,0,1|2,0,0]=4 3116 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [0,1,0,0,0,1|2,0,0]=4 3117 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [0,1,0,0,0,1|2,0,0]=4 3118 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [0,1,0,0,0,1|2,0,0]=4 3119 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [0,1,0,0,0,1|2,0,0]=4 3120 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [0,1,0,0,0,1|2,0,0]=4 3121 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [0,1,0,0,0,1|2,0,0]=4 3122 B11R1.24 FCOCc1cccc(n1)Br 34a_100000694195_100015361967 [0,1,0,0,0,1|2,0,0]=4 3123 B11R1.24 FCOCc1cccc(n1)Cl 34a_100011998359_100015361967 [0,1,0,0,0,1|2,0,0]=4 3124 B11R1.24 FCOCc1cccc(n1)F 34a_100000086748_100015361967 [0,1,0,0,0,1|2,0,0]=4 3125 B11R1.24 FCOCc1ccnc(c1)Br 34a_100009814636_100015361967 [0,1,0,0,0,1|2,0,0]=4 3126 B11R1.24 FCOCc1ccnc(c1)Br 7a_100009814636_100015361967 [0,1,0,0,0,1|2,0,0]=4 3127 B11R1.24 FCOCc1ccnc(c1)Cl 34a_100000748751_100015361967 [0,1,0,0,0,1|2,0,0]=4 3128 B11R1.24 FCOCc1ccnc(c1)F 34a_100000082451_100015361967 [0,1,0,0,0,1|2,0,0]=4 3129 B11R1.24 FCOCc1cncc(c1)Br 34a_100011259137_100015361967 [0,1,0,0,0,1|2,0,0]=4 3130 B11R1.24 FCOCc1cncc(c1)Br 7a_100011259137_100015361967 [0,1,0,0,0,1|2,0,0]=4 3131 B11R1.24 FCOCc1cncc(c1)Cl 34a_100000092867_100015361967 [0,1,0,0,0,1|2,0,0]=4 3132 B11R1.24 FCOCc1cncc(c1)Cl 7a_100000092867_100015361967 [0,1,0,0,0,1|2,0,0]=4 3133 B11R1.24 FCOCc1cncc(c1)F 34a_100011962875_100015361967 [0,1,0,0,0,1|2,0,0]=4 3134 B11R1.24 FCOCc1cncc(c1)F 7a_100011962875_100015361967 [0,1,0,0,0,1|2,0,0]=4 3135 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [0,1,0,0,0,1|2,0,0]=4 3136 B11R1.24 Nc1ccnc(c1)COCF 34a_100000692640_100015361967 [0,1,0,0,0,1|2,0,0]=4 3137 B11R1.24 Nc1cncc(c1)COCF 34a_100000085308_100015361967 [0,1,0,0,0,1|2,0,0]=4 3138 B11R1.24 [O-][n+]1cccc(c1)COCF 34a_100000037817_100015361967 [0,1,0,0,0,1|2,0,0]=4 3139 B11R1.24 [O-][n+]1cccc(c1)COCF 7a_100000037817_100015361967 [0,1,0,0,0,1|2,0,0]=4 3140 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,1|1,0,0]=3 3141 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,1|1,0,0]=3 3142 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,1|1,0,0]=3 3143 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,1,0,0,0,1|1,0,0]=3 3144 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,1,0,0,0,1|1,0,0]=3 3145 B11R1.28 BrCCOCc1cncnc1 34a_100000211926_100015196519 [0,1,0,0,0,1|2,0,0]=4 3146 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,1,0,0,0,1|1,0,0]=3 3147 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,1|1,0,1]=4 3148 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,1|1,0,1]=4 3149 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,1|1,0,1]=4 3150 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,1|1,0,1]=4 3151 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,1,0,0,0,1|1,0,1]=4 3152 B11R1.28 C#CCOCc1cccnn1 34a_100000210247_100016990269 [0,1,0,0,0,1|1,0,1]=4 3153 B11R1.28 C#CCOCc1cnccn1 34a_100000210247_100016995436 [0,1,0,0,0,1|1,0,1]=4 3154 B11R1.28 C#CCOCc1ncccn1 34a_100000210247_100000703007 [0,1,0,0,0,1|1,0,1]=4 3155 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,1|1,0,1]=4 3156 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,1|1,0,1]=4 3157 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,1|1,0,1]=4 3158 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,1|1,0,1]=4 3159 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,1|1,0,1]=4 3160 B11R1.28 C=CCOCc1cccnn1 34a_200000210373_100016990269 [0,1,0,0,0,1|1,0,1]=4 3161 B11R1.28 C=CCOCc1cnccn1 34a_200000210373_100016995436 [0,1,0,0,0,1|1,0,1]=4 3162 B11R1.28 C=CCOCc1ncccn1 34a_200000210373_100000703007 [0,1,0,0,0,1|1,0,1]=4 3163 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,1|2,0,0]=4 3164 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,1,0,0,0,1|2,0,0]=4 3165 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,1,0,0,0,1|2,0,0]=4 3166 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,1,0,0,0,1|2,0,0]=4 3167 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,1,0,0,0,1|2,0,0]=4 3168 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,1|2,0,0]=4 3169 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,1|2,0,0]=4 3170 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,1|2,0,0]=4 3171 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,1|2,0,0]=4 3172 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,1|2,0,0]=4 3173 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,1|2,0,0]=4 3174 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,1|2,0,0]=4 3175 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,0,0,0,1|2,0,0]=4 3176 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,0,0,0,1|2,0,0]=4 3177 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,0,0,0,1|2,0,0]=4 3178 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,0,0,0,1|2,0,0]=4 3179 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,1,0,0,0,1|2,0,0]=4 3180 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,1,0,0,0,1|2,0,0]=4 3181 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,1,0,0,0,1|2,0,0]=4 3182 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,1,0,0,0,1|2,0,0]=4 3183 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,1,0,0,0,1|2,0,0]=4 3184 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,1,0,0,0,1|2,0,0]=4 3185 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,1,0,0,0,1|2,0,0]=4 3186 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,1,0,0,0,1|2,0,0]=4 3187 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,1,0,0,0,1|2,0,0]=4 3188 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,1,0,0,0,1|2,0,0]=4 3189 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,1|2,0,0]=4 3190 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,1|2,0,0]=4 3191 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,1|2,0,0]=4 3192 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,1|2,0,0]=4 3193 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,1|2,0,0]=4 3194 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,1|2,0,0]=4 3195 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,1|2,0,0]=4 3196 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,1|2,0,0]=4 3197 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,1,0,0,0,1|2,0,0]=4 3198 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,1|2,0,0]=4 3199 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,1,0,0,0,1|2,0,0]=4 3200 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,1,0,0,0,1|2,0,0]=4 3201 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,0,0,1|0,0,2]=4 3202 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,1|1,0,0]=3 3203 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,1|1,0,0]=3 3204 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,1|1,0,0]=3 3205 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,1|1,0,0]=3 3206 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,1|1,0,0]=3 3207 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,1,0,0,0,1|1,0,0]=3 3208 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,1,0,0,0,1|1,0,0]=3 3209 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,1,0,0,0,1|2,0,0]=4 3210 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,1,0,0,0,1|1,0,0]=3 3211 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,1|1,1,0]=4 3212 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,1|1,1,0]=4 3213 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,0,0,0,1|1,1,0]=4 3214 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,0,0,0,1|1,1,0]=4 3215 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,0,0,0,1|1,1,0]=4 3216 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,0,0,0,1|1,1,0]=4 3217 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,1,0,0,0,1|1,1,0]=4 3218 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,1,0,0,0,1|1,1,0]=4 3219 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,1,0,0,0,1|1,1,0]=4 3220 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,1,0,0,0,1|1,1,0]=4 3221 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,1,0,0,0,1|1,1,0]=4 3222 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,1,0,0,0,1|1,1,0]=4 3223 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,1,0,0,0,1|1,1,0]=4 3224 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,1,0,0,0,1|1,1,0]=4 3225 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,1|2,0,0]=4 3226 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,1|2,0,0]=4 3227 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,1|2,0,0]=4 3228 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,1|2,0,0]=4 3229 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,1|2,0,0]=4 3230 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,1|2,0,0]=4 3231 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,1|2,0,0]=4 3232 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,1|2,0,0]=4 3233 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,1,0,0,0,1|1,0,1]=4 3234 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [0,1,0,0,0,1|1,0,1]=4 3235 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [0,1,0,0,0,1|1,0,1]=4 3236 B11R1.28 CCOC=Cc1cccnn1 271570a_100016256518_100016991348 [0,1,0,0,0,1|1,0,1]=4 3237 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [0,1,0,0,0,1|1,0,1]=4 3238 B11R1.28 CCOC=Cc1ccncn1 271570a_100016256518_100000703185 [0,1,0,0,0,1|1,0,1]=4 3239 B11R1.28 CCOC=Cc1cnccn1 271570a_100016256518_100000758340 [0,1,0,0,0,1|1,0,1]=4 3240 B11R1.28 CCOC=Cc1ncccn1 271570a_100016256518_100000211032 [0,1,0,0,0,1|1,0,1]=4 3241 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,1|1,0,0]=3 3242 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,1|1,0,0]=3 3243 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,1|1,0,0]=3 3244 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,0,0,0,1|1,0,0]=3 3245 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,0,0,0,1|1,0,0]=3 3246 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,1,0,0,0,1|1,0,0]=3 3247 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,1,0,0,0,1|1,0,0]=3 3248 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,1,0,0,0,1|2,0,0]=4 3249 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,1|1,0,0]=3 3250 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,1|1,0,0]=3 3251 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,1,0,0,0,1|1,0,0]=3 3252 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,1,0,0,0,1|1,0,0]=3 3253 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,1,0,0,0,1|1,0,0]=3 3254 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,1,0,0,0,1|1,0,0]=3 3255 B11R1.28 CCOCSc1cccnn1 62a_100000739092_100016991348 [0,1,0,0,0,1|1,0,0]=3 3256 B11R1.28 CCOCSc1cccnn1 62a_100016991348_100000739092 [0,1,0,0,0,1|1,0,0]=3 3257 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,1,0,0,0,1|1,0,0]=3 3258 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,1,0,0,0,1|1,0,0]=3 3259 B11R1.28 CCOCSc1ccncn1 62a_100000703185_100000739092 [0,1,0,0,0,1|1,0,0]=3 3260 B11R1.28 CCOCSc1ccncn1 62a_100000739092_100000703185 [0,1,0,0,0,1|1,0,0]=3 3261 B11R1.28 CCOCSc1ccnnc1 62a_100000732662_100000739092 [0,1,0,0,0,1|2,0,0]=4 3262 B11R1.28 CCOCSc1ccnnc1 62a_100000739092_100000732662 [0,1,0,0,0,1|2,0,0]=4 3263 B11R1.28 CCOCSc1cnccn1 62a_100000211759_100000739092 [0,1,0,0,0,1|1,0,0]=3 3264 B11R1.28 CCOCSc1cnccn1 62a_100000739092_100000211759 [0,1,0,0,0,1|1,0,0]=3 3265 B11R1.28 CCOCSc1cncnc1 62a_100000739092_100011206942 [0,1,0,0,0,1|2,0,0]=4 3266 B11R1.28 CCOCSc1cncnc1 62a_100011206942_100000739092 [0,1,0,0,0,1|2,0,0]=4 3267 B11R1.28 CCOCSc1ncccn1 62a_100000211032_100000739092 [0,1,0,0,0,1|1,0,0]=3 3268 B11R1.28 CCOCSc1ncccn1 62a_100000739092_100000211032 [0,1,0,0,0,1|1,0,0]=3 3269 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,1|1,1,0]=4 3270 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,1|1,1,0]=4 3271 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,0,0,0,1|1,1,0]=4 3272 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,0,0,0,1|1,1,0]=4 3273 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,0,0,0,1|1,1,0]=4 3274 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,0,0,0,1|1,1,0]=4 3275 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,1,0,0,0,1|1,1,0]=4 3276 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,1,0,0,0,1|1,1,0]=4 3277 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,1|1,1,0]=4 3278 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,1|1,1,0]=4 3279 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,1|2,0,0]=4 3280 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,1|2,0,0]=4 3281 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,1|2,0,0]=4 3282 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,1|2,0,0]=4 3283 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,1|2,0,0]=4 3284 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,0,0,0,1|2,0,0]=4 3285 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,0,0,0,1|2,0,0]=4 3286 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,1,0,0,0,1|2,0,0]=4 3287 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,1|1,0,0]=3 3288 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,1|1,0,0]=3 3289 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,1|1,1,0]=4 3290 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,1|1,1,0]=4 3291 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,0,0,0,1|2,0,0]=4 3292 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,1|2,0,0]=4 3293 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,1|2,0,0]=4 3294 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,1|2,0,0]=4 3295 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,1|2,0,0]=4 3296 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,1|2,0,0]=4 3297 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,1|2,0,0]=4 3298 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,1|2,0,0]=4 3299 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,1,0,0,0,1|2,0,0]=4 3300 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,1|1,0,0]=3 3301 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,1|1,1,0]=4 3302 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,1|1,1,0]=4 3303 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,1|1,1,0]=4 3304 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,1|1,1,0]=4 3305 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,1|1,1,0]=4 3306 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,1|1,1,0]=4 3307 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,1|1,1,0]=4 3308 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,1,0,0,0,1|1,1,0]=4 3309 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,1,0,0,0,1|1,1,0]=4 3310 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,1|1,1,0]=4 3311 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,1|1,1,0]=4 3312 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,1,0,0,0,1|1,1,0]=4 3313 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,1,0,0,0,1|1,1,0]=4 3314 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [0,1,0,0,0,1|1,1,0]=4 3315 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [0,1,0,0,0,1|1,1,0]=4 3316 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,1|2,0,0]=4 3317 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,1|2,0,0]=4 3318 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,1|2,0,0]=4 3319 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,1|2,0,0]=4 3320 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [0,1,0,0,0,1|2,0,0]=4 3321 B11R1.28 CSCOCC1CCC=CO1 34a_100011217868_100011218213 [0,1,0,0,0,1|0,0,2]=4 3322 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,1|1,0,0]=3 3323 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,1|1,0,0]=3 3324 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,1|1,0,0]=3 3325 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,1|1,1,0]=4 3326 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,1|1,1,0]=4 3327 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,1|1,1,0]=4 3328 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,1|1,1,0]=4 3329 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,1,0,0,0,1|1,1,0]=4 3330 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,1,0,0,0,1|1,1,0]=4 3331 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,1,0,0,0,1|1,1,0]=4 3332 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,1,0,0,0,1|1,1,0]=4 3333 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [0,1,0,0,0,1|1,1,0]=4 3334 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [0,1,0,0,0,1|1,1,0]=4 3335 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,1,0,0,0,1|1,1,0]=4 3336 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,1,0,0,0,1|1,1,0]=4 3337 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,1,0,0,0,1|1,1,0]=4 3338 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,1,0,0,0,1|1,1,0]=4 3339 B11R1.28 CSCSCc1ncccn1 62a_100000703007_100011218213 [0,1,0,0,0,1|1,1,0]=4 3340 B11R1.28 CSCSCc1ncccn1 62a_100011218213_100000703007 [0,1,0,0,0,1|1,1,0]=4 3341 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,1|2,0,0]=4 3342 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,1|2,0,0]=4 3343 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,1|2,0,0]=4 3344 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,1|2,0,0]=4 3345 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,0,0,0,1|2,0,0]=4 3346 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,1,0,0,0,1|2,0,0]=4 3347 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,1,0,0,0,1|2,0,0]=4 3348 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,1,0,0,0,1|2,0,0]=4 3349 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,1,0,0,0,1|2,0,0]=4 3350 B11R1.28 FCCOCC1CCC=CO1 34a_100011217868_100011217306 [0,1,0,0,0,1|0,0,2]=4 3351 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,1|1,0,0]=3 3352 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,1|1,0,0]=3 3353 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,1|1,1,0]=4 3354 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,1|1,1,0]=4 3355 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,0,0,0,1|1,1,0]=4 3356 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,0,0,0,1|1,1,0]=4 3357 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,1,0,0,0,1|1,1,0]=4 3358 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,1,0,0,0,1|1,1,0]=4 3359 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,1,0,0,0,1|1,1,0]=4 3360 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,1,0,0,0,1|1,1,0]=4 3361 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,1,0,0,0,1|1,1,0]=4 3362 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,1,0,0,0,1|1,1,0]=4 3363 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,1,0,0,0,1|1,1,0]=4 3364 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,1,0,0,0,1|1,1,0]=4 3365 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,1,0,0,0,1|1,1,0]=4 3366 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,1,0,0,0,1|1,1,0]=4 3367 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,1|2,0,0]=4 3368 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,1|2,0,0]=4 3369 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,0,0,0,1|2,0,0]=4 3370 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,0,0,0,1|2,0,0]=4 3371 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,1,0,0,0,1|2,0,0]=4 3372 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,1,0,0,0,1|2,0,0]=4 3373 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,1|1,0,1]=4 3374 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,1|1,0,0]=3 3375 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,1|1,0,0]=3 3376 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,1|1,0,0]=3 3377 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,1,0,0,0,1|1,0,0]=3 3378 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,0,0,0,1|1,0,0]=3 3379 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [0,1,0,0,0,1|2,0,0]=4 3380 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,1,0,0,0,1|1,0,0]=3 3381 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,1|1,0,1]=4 3382 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,1|1,0,1]=4 3383 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,1|2,0,0]=4 3384 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,1|2,0,0]=4 3385 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,1|2,0,0]=4 3386 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,1|2,0,0]=4 3387 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,1|2,0,0]=4 3388 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,1|2,0,0]=4 3389 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,1|2,0,0]=4 3390 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,1|2,0,0]=4 3391 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,1|2,0,0]=4 3392 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,1|2,0,0]=4 3393 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,1|2,0,0]=4 3394 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,1|2,0,0]=4 3395 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,1|2,0,0]=4 3396 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,1|2,0,0]=4 3397 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,1,0,0,0,1|2,0,0]=4 3398 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,1,0,0,0,1|2,0,0]=4 3399 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,1,0,0,0,1|2,0,0]=4 3400 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,1|2,0,0]=4 3401 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,1|2,0,0]=4 3402 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,1,0,0,0,1|2,0,0]=4 3403 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,1,0,0,0,1|2,0,0]=4 3404 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,1,0,0,0,1|2,0,0]=4 3405 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,1,0,0,0,1|2,0,0]=4 3406 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,1,0,0,0,1|2,0,0]=4 3407 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,1,0,0,0,1|2,0,0]=4 3408 B11R1.28 OCCOCC1CCC=CO1 34a_100011217868_100000211926 [0,1,0,0,0,1|0,0,2]=4 3409 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,1|1,0,0]=3 3410 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,1|1,0,0]=3 3411 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,1|1,1,0]=4 3412 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,1|1,1,0]=4 3413 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,1|1,1,0]=4 3414 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,1|1,1,0]=4 3415 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,0,0,0,1|1,1,0]=4 3416 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,0,0,0,1|1,1,0]=4 3417 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,1,0,0,0,1|1,1,0]=4 3418 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,1,0,0,0,1|1,1,0]=4 3419 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,1,0,0,0,1|1,1,0]=4 3420 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,1,0,0,0,1|1,1,0]=4 3421 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,1,0,0,0,1|1,1,0]=4 3422 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,1,0,0,0,1|1,1,0]=4 3423 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,1,0,0,0,1|1,1,0]=4 3424 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,1,0,0,0,1|1,1,0]=4 3425 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,1|2,0,0]=4 3426 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,1|2,0,0]=4 3427 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,0,0,0,1|2,0,0]=4 3428 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,0,0,0,1|2,0,0]=4 3429 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,1,0,0,0,1|2,0,0]=4 3430 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,0,0,0,1|2,0,0]=4 3431 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,1|2,0,0]=4 3432 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,1|2,0,0]=4 3433 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,1|2,0,0]=4 3434 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,1|2,0,0]=4 3435 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,1|2,0,0]=4 3436 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,1|2,0,0]=4 3437 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,1|2,0,0]=4 3438 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,1|1,0,0]=3 3439 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,1|1,0,0]=3 3440 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,1|1,1,0]=4 3441 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,1|1,1,0]=4 3442 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|2,0,0]=4 3443 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|2,0,0]=4 3444 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|2,0,0]=4 3445 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|2,0,0]=4 3446 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|2,0,0]=4 3447 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,1|2,0,0]=4 3448 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,1|2,0,0]=4 3449 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|2,0,0]=4 3450 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,1|2,0,0]=4 3451 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,1|2,0,0]=4 3452 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,1|2,0,0]=4 3453 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,1|2,0,0]=4 3454 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,1|2,0,0]=4 3455 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,1|2,0,0]=4 3456 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,1|2,0,0]=4 3457 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,1|2,0,0]=4 3458 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,1|2,0,0]=4 3459 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,1|2,0,0]=4 3460 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,1|2,0,0]=4 3461 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,1|2,0,0]=4 3462 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,1|2,0,0]=4 3463 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,1,0,0,0,1|2,0,0]=4 3464 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,1,0,0,0,1|2,0,0]=4 3465 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,1,0,0,0,1|2,0,0]=4 3466 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,1,0,0,0,1|2,0,0]=4 3467 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,1,0,0,0,1|2,0,0]=4 3468 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,1,0,0,0,1|2,0,0]=4 3469 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [0,1,0,0,0,1|2,0,0]=4 3470 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,1,0,0,0,1|2,0,0]=4 3471 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,1,0,0,0,1|2,0,0]=4 3472 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,1,0,0,0,1|2,0,0]=4 3473 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,1,0,0,0,1|2,0,0]=4 3474 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,1,0,0,0,1|2,0,0]=4 3475 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,1,0,0,0,1|2,0,0]=4 3476 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,1,0,0,0,1|2,0,0]=4 3477 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,1,0,0,0,1|2,0,0]=4 3478 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,1,0,0,0,1|2,0,0]=4 3479 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,1,0,0,0,1|2,0,0]=4 3480 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [0,1,0,0,0,1|2,0,0]=4 3481 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [0,1,0,0,0,1|2,0,0]=4 3482 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [0,1,0,0,0,1|2,0,0]=4 3483 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [0,1,0,0,0,1|2,0,0]=4 3484 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,1|2,0,0]=4 3485 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,1|2,0,0]=4 3486 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,1|2,0,0]=4 3487 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,1|2,0,0]=4 3488 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,1,0,0,0,1|2,0,0]=4 3489 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,1,0,0,0,1|2,0,0]=4 3490 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,1,0,0,0,1|2,0,0]=4 3491 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,1,0,0,0,1|2,0,0]=4 3492 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,1|2,0,0]=4 3493 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,1|2,0,0]=4 3494 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,1|2,0,0]=4 3495 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,1|2,0,0]=4 3496 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,1|2,0,0]=4 3497 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,1,0,0,0,1|2,0,0]=4 3498 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,1,0,0,0,1|2,0,0]=4 3499 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,1,0,0,0,1|2,0,0]=4 3500 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,1,0,0,0,1|2,0,0]=4 3501 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,1,0,0,0,1|2,0,0]=4 3502 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,1,0,0,0,1|2,0,0]=4 3503 B11R1.91 CC(C)NCc1cccnn1 2230a_100138425928_100016990269 [0,1,0,0,0,1|2,0,0]=4 3504 B11R1.91 CC(C)NCc1cccnn1 2230a_100159270163_100000210206 [0,1,0,0,0,1|2,0,0]=4 3505 B11R1.91 CC(C)NCc1cccnn1 34a_100138425928_100016990269 [0,1,0,0,0,1|2,0,0]=4 3506 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,1,0,0,0,1|2,0,0]=4 3507 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,1,0,0,0,1|2,0,0]=4 3508 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,1,0,0,0,1|2,0,0]=4 3509 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,1,0,0,0,1|2,0,0]=4 3510 B11R1.91 CC(C)NCc1ncccn1 2230a_100138425928_100000703007 [0,1,0,0,0,1|2,0,0]=4 3511 B11R1.91 CC(C)NCc1ncccn1 34a_100138425928_100000703007 [0,1,0,0,0,1|2,0,0]=4 3512 B11R1.91 CC(C)OCC1CCC=CO1 34a_100011217868_100000210206 [0,1,0,0,0,1|0,0,2]=4 3513 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,1|1,0,0]=3 3514 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,1|1,0,0]=3 3515 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,1|1,0,0]=3 3516 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,1,0,0,0,1|1,0,0]=3 3517 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,1,0,0,0,1|1,0,0]=3 3518 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,1,0,0,0,1|1,0,0]=3 3519 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,1,0,0,0,1|1,0,0]=3 3520 B11R1.91 CC(C)OCc1cncnc1 34a_100000212225_100015196519 [0,1,0,0,0,1|2,0,0]=4 3521 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,1,0,0,0,1|1,0,0]=3 3522 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,1|1,1,0]=4 3523 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,1|1,1,0]=4 3524 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,1,0,0,0,1|1,1,0]=4 3525 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,1,0,0,0,1|1,1,0]=4 3526 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,1,0,0,0,1|1,1,0]=4 3527 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,1,0,0,0,1|1,1,0]=4 3528 B11R1.91 CC(C)SCc1cccnn1 62a_100000210206_100016990269 [0,1,0,0,0,1|1,1,0]=4 3529 B11R1.91 CC(C)SCc1cccnn1 62a_100016990269_100000210206 [0,1,0,0,0,1|1,1,0]=4 3530 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [0,1,0,0,0,1|1,1,0]=4 3531 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [0,1,0,0,0,1|1,1,0]=4 3532 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,1,0,0,0,1|1,1,0]=4 3533 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,1,0,0,0,1|1,1,0]=4 3534 B11R1.91 CC(C)SCc1ncccn1 62a_100000210206_100000703007 [0,1,0,0,0,1|1,1,0]=4 3535 B11R1.91 CC(C)SCc1ncccn1 62a_100000703007_100000210206 [0,1,0,0,0,1|1,1,0]=4 3536 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [0,2,0,0,0,0|1,0,0]=3 3537 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,2,0,0,0,0|1,1,0]=4 3538 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,2,0,0,0,0|1,1,0]=4 3539 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,2,0,0,0,0|1,1,0]=4 3540 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,2,0,0,0,0|1,1,0]=4 3541 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,2,0,0,0,0|1,1,0]=4 3542 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [0,2,0,0,0,0|2,0,0]=4 3543 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [0,2,0,0,0,0|1,0,0]=3 3544 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [0,2,0,0,0,0|1,0,0]=3 3545 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [0,2,0,0,0,0|1,1,0]=4 3546 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [0,2,0,0,0,0|1,1,0]=4 3547 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [0,2,0,0,0,0|1,1,0]=4 3548 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [0,2,0,0,0,0|0,0,0]=2 3549 B11R1.2 CCOC(CN)c1ccsc1 34a_100000758718_100000210202 [0,2,0,0,0,0|2,0,0]=4 3550 B11R1.2 NCC(OCF)c1ccco1 34a_100000738650_100015361967 [0,2,0,0,0,0|1,0,0]=3 3551 B11R1.15 CCNC(C)c1cc(cs1)Br 2230a_100159270200_100000210202 [0,2,0,0,0,0|1,1,0]=4 3552 B11R1.15 CCNC(C)c1cc(cs1)Br 269862a_100015525214_100000718618 [0,2,0,0,0,0|1,1,0]=4 3553 B11R1.15 CCNC(C)c1cc(cs1)Br 34a_100159270200_100000210202 [0,2,0,0,0,0|1,1,0]=4 3554 B11R1.15 CCNC(C)c1cc(cs1)C 269862a_100015525214_100000034720 [0,2,0,0,0,0|1,1,0]=4 3555 B11R1.15 CCNC(C)c1cc(cs1)Cl 269862a_100015525214_100000061699 [0,2,0,0,0,0|1,1,0]=4 3556 B11R1.15 CCNC(C)c1ccc([nH]1)Br 269862a_100015525214_200010494458 [0,2,0,0,0,0|2,0,0]=4 3557 B11R1.15 CCNC(C)c1ccc(o1)C 269862a_100015525214_100000204583 [0,2,0,0,0,0|1,0,0]=3 3558 B11R1.15 CCNC(C)c1ccc(s1)Br 2230a_100102723530_100000210202 [0,2,0,0,0,0|1,1,0]=4 3559 B11R1.15 CCNC(C)c1ccc(s1)Br 269862a_100015525214_100000183331 [0,2,0,0,0,0|1,1,0]=4 3560 B11R1.15 CCNC(C)c1ccc(s1)C 269862a_100015525214_100000195387 [0,2,0,0,0,0|1,1,0]=4 3561 B11R1.15 CCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000210202 [0,2,0,0,0,0|1,1,0]=4 3562 B11R1.15 CCNC(C)c1ccc(s1)Cl 269862a_100015525214_100000182421 [0,2,0,0,0,0|1,1,0]=4 3563 B11R1.15 CCNC(C)c1ccc(s1)I 269862a_100015525214_200000034408 [0,2,0,0,0,0|1,1,0]=4 3564 B11R1.15 CCNC(C)c1nc(co1)C 270004a_100015525214_100009826828 [0,2,0,0,0,0|2,0,0]=4 3565 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,2,0,0,0,0|0,1,1]=4 3566 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,2,0,0,0,0|1,0,1]=4 3567 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,2,0,0,0,0|0,0,1]=3 3568 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,2,0,0,0,0|0,1,1]=4 3569 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [0,2,0,0,0,0|1,0,1]=4 3570 B11R1.15 CCOC(C)c1ccn(n1)C 34a_100012178569_100000210202 [0,2,0,0,0,0|2,0,0]=4 3571 B11R1.15 CCOC(C)c1nc(no1)C 270196a_100000212224_100000739345 [0,2,0,0,0,0|2,0,0]=4 3572 B11R1.15 CCOC(C)n1cc(cn1)O 271570a_203496583355_100010372000 [0,2,0,0,0,0|2,0,0]=4 3573 B11R1.15 CCOC(C)n1ccc(n1)O 271570a_203496583355_100135506065 [0,2,0,0,0,0|2,0,0]=4 3574 B11R1.29 C#CCN[C@H](C)c1ccco1 2230a_100160469435_100000038162 [0,2,0,0,0,0|1,0,1]=4 3575 B11R1.29 C#CCO[C@@H](C)c1ccco1 34a_100000755270_100000184674 [0,2,0,0,0,0|0,0,1]=3 3576 B11R1.29 C#CCO[C@@H](C)c1ccco1 7a_100000755270_100000038162 [0,2,0,0,0,0|0,0,1]=3 3577 B11R1.29 C#CCO[C@H](C)c1cccs1 7a_100000750433_100000038162 [0,2,0,0,0,0|0,1,1]=4 3578 B11R1.29 C=CCN[C@H](C)c1ccco1 2230a_100160469435_100000210623 [0,2,0,0,0,0|1,0,1]=4 3579 B11R1.29 C=CCO[C@@H](C)c1ccco1 34a_100000755270_100015514636 [0,2,0,0,0,0|0,0,1]=3 3580 B11R1.29 C=CCO[C@@H](C)c1ccco1 7a_100000755270_100015514636 [0,2,0,0,0,0|0,0,1]=3 3581 B11R1.29 C=CCO[C@H](C)c1cccs1 7a_100000750433_100015514636 [0,2,0,0,0,0|0,1,1]=4 3582 B11R1.29 CC(NCCF)c1ccc[nH]1 269862a_100000724931_100000183661 [0,2,0,0,0,0|2,0,0]=4 3583 B11R1.29 CC(NCCF)c1cccs1 2230a_100000703493_100011217306 [0,2,0,0,0,0|1,1,0]=4 3584 B11R1.29 CC(NCCF)c1cccs1 269862a_100000724931_100000185736 [0,2,0,0,0,0|1,1,0]=4 3585 B11R1.29 CC(NCCO)c1ccc[nH]1 269862a_100000210304_100000183661 [0,2,0,0,0,0|2,0,0]=4 3586 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [0,2,0,0,0,0|1,1,0]=4 3587 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [0,2,0,0,0,0|1,1,0]=4 3588 B11R1.29 CC(OCCF)c1ccsc1 34a_100011350980_100011217306 [0,2,0,0,0,0|2,0,0]=4 3589 B11R1.29 CC(OCCF)c1ccsc1 7a_100011350980_100011217306 [0,2,0,0,0,0|2,0,0]=4 3590 B11R1.29 CC(OCCF)c1nccs1 7a_100000751044_100011217306 [0,2,0,0,0,0|1,1,0]=4 3591 B11R1.29 CC(OCCO)c1ccsc1 34a_100011350980_100000211926 [0,2,0,0,0,0|2,0,0]=4 3592 B11R1.29 CC(OCCO)c1ccsc1 7a_100011350980_100000211926 [0,2,0,0,0,0|2,0,0]=4 3593 B11R1.29 CC(OCCO)c1nccs1 7a_100000751044_100000211926 [0,2,0,0,0,0|1,1,0]=4 3594 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,2,0,0,0,0|2,0,0]=4 3595 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,2,0,0,0,0|1,1,0]=4 3596 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,2,0,0,0,0|1,1,0]=4 3597 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,2,0,0,0,0|1,0,0]=3 3598 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,2,0,0,0,0|2,0,0]=4 3599 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,2,0,0,0,0|2,0,0]=4 3600 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [0,2,0,0,0,0|1,1,0]=4 3601 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,2,0,0,0,0|0,0,0]=2 3602 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,2,0,0,0,0|0,0,0]=2 3603 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,2,0,0,0,0|0,1,0]=3 3604 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,2,0,0,0,0|1,1,0]=4 3605 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,2,0,0,0,0|1,0,0]=3 3606 B11R1.29 CCNN=C(C)c1ccco1 4a_100000756455_100000210965 [0,2,0,0,0,0|1,0,1]=4 3607 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [0,2,0,0,0,0|2,0,0]=4 3608 B11R1.29 CCOCC(C)n1cccn1 34a_100011935049_100000210202 [0,2,0,0,0,0|2,0,0]=4 3609 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [0,2,0,0,0,0|0,1,0]=3 3610 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,2,0,0,0,0|1,1,0]=4 3611 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,2,0,0,0,0|1,1,0]=4 3612 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,2,0,0,0,0|0,1,0]=3 3613 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,2,0,0,0,0|0,1,0]=3 3614 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,2,0,0,0,0|0,2,0]=4 3615 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,2,0,0,0,0|0,2,0]=4 3616 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [0,2,0,0,0,0|1,1,0]=4 3617 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,2,0,0,0,0|1,0,0]=3 3618 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [0,2,0,0,0,0|1,1,0]=4 3619 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,2,0,0,0,0|1,0,0]=3 3620 B11R1.29 CSCOC(C)c1ccsc1 34a_100011350980_100011218213 [0,2,0,0,0,0|2,0,0]=4 3621 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,2,0,0,0,0|0,0,0]=2 3622 B11R1.29 C[C@@H](NCC#N)c1ccco1 2230a_100160469435_100011215382 [0,2,0,0,0,0|1,0,1]=4 3623 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [0,2,0,0,0,0|1,0,1]=4 3624 B11R1.29 C[C@@H](NCCF)c1ccco1 2230a_100160469435_100011217306 [0,2,0,0,0,0|1,0,0]=3 3625 B11R1.29 C[C@@H](NCCO)c1ccco1 2230a_100160469435_100000211926 [0,2,0,0,0,0|1,0,0]=3 3626 B11R1.29 C[C@@H](OCC#N)c1cccs1 7a_100000750433_100011215382 [0,2,0,0,0,0|0,1,1]=4 3627 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [0,2,0,0,0,0|0,1,1]=4 3628 B11R1.29 C[C@@H](OCCF)c1cccs1 7a_100000750433_100011217306 [0,2,0,0,0,0|0,1,0]=3 3629 B11R1.29 C[C@@H](OCCO)c1cccs1 7a_100000750433_100000211926 [0,2,0,0,0,0|0,1,0]=3 3630 B11R1.29 C[C@H](OCC#N)c1ccco1 7a_100000755270_100011215382 [0,2,0,0,0,0|0,0,1]=3 3631 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [0,2,0,0,0,0|0,0,1]=3 3632 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [0,2,0,0,0,0|0,0,1]=3 3633 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [0,2,0,0,0,0|0,0,0]=2 3634 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [0,2,0,0,0,0|0,0,0]=2 3635 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [0,2,0,0,0,0|0,0,0]=2 3636 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [0,2,0,0,0,0|0,0,0]=2 3637 B11R1.29 NC(COCF)c1cccs1 34a_100102422791_100015361967 [0,2,0,0,0,0|1,1,0]=4 3638 B11R1.29 O=C(CSCF)c1ccco1 62a_100000211439_100015361967 [0,2,0,0,0,0|1,1,0]=4 3639 B11R1.29 O=C(CSCF)c1ccco1 62a_100015361967_100000211439 [0,2,0,0,0,0|1,1,0]=4 3640 B11R1.31 CC(c1ccco1)N(C)CF 269982a_100000232712_100015361967 [0,2,0,0,0,0|2,0,0]=4 3641 B11R1.31 CCN(C)C(C)c1ccco1 2230a_100000232712_100000210202 [0,2,0,0,0,0|1,0,0]=3 3642 B11R1.31 CCN(C)C(C)c1ccco1 269982a_100000232712_100000204670 [0,2,0,0,0,0|1,0,0]=3 3643 B11R1.31 CCN(C)C(C)c1cccs1 2230a_100000186410_100000210202 [0,2,0,0,0,0|1,1,0]=4 3644 B11R1.31 CCN(C)C(C)c1cccs1 269982a_100000186410_100000204670 [0,2,0,0,0,0|1,1,0]=4 3645 B11R1.33 CC(C)(OCF)c1cccs1 7a_100011410533_100015361967 [0,2,0,0,0,0|1,1,0]=4 3646 B11R1.33 CCNC(C)(C)c1cccs1 2230a_100000757009_100000210202 [0,2,0,0,0,0|1,1,0]=4 3647 B11R1.33 CCNS(=O)(=O)c1ccco1 270084a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 3648 B11R1.33 CCNS(=O)(=O)c1ccco1 274078a_100015525214_200000702926 [0,2,0,0,0,0|2,0,0]=4 3649 B11R1.33 CCOC(C)(C)c1cccs1 7a_100011410533_100000210202 [0,2,0,0,0,0|0,1,0]=3 3650 B11R1.33 CCOC(C)(C)c1nccs1 7a_200009882240_100000210202 [0,2,0,0,0,0|1,1,0]=4 3651 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 3652 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 3653 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,2,0,0,0,0|1,0,1]=4 3654 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,2,0,0,0,0|1,0,1]=4 3655 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,2,0,0,0,0|1,0,0]=3 3656 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,2,0,0,0,0|1,1,0]=4 3657 B11R1.77 CC(C)C[C@H](N)c1cnco1 271570a_100015190218_100020591547 [0,2,0,0,0,0|2,0,0]=4 3658 B11R1.77 CC(C)C[C@H](N)c1ncco1 271570a_100015190218_100011787736 [0,2,0,0,0,0|2,0,0]=4 3659 B11R1.77 CC(C)NC(C)c1cccs1 2230a_100000703493_100000210206 [0,2,0,0,0,0|1,1,0]=4 3660 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,2,0,0,0,0|1,0,0]=3 3661 B11R1.77 CC(C)OC(C)c1ccsc1 34a_100011350980_100000210206 [0,2,0,0,0,0|2,0,0]=4 3662 B11R1.77 CC(C)OC(C)c1ccsc1 7a_100011350980_100000210206 [0,2,0,0,0,0|2,0,0]=4 3663 B11R1.77 CC(C)OC(C)c1nccs1 7a_100000751044_100000210206 [0,2,0,0,0,0|1,1,0]=4 3664 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,2,0,0,0,0|0,0,0]=2 3665 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,2,0,0,0,0|0,0,0]=2 3666 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,2,0,0,0,0|0,1,0]=3 3667 B11R1.199 CCNC(C)c1cccn1C 269862a_100015525214_100000709046 [0,2,0,0,0,0|2,0,0]=4 3668 B11R1.199 CCNC(C)c1sccc1Br 269862a_100015525214_100000738688 [0,2,0,0,0,0|1,1,0]=4 3669 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [0,2,0,0,0,0|1,0,1]=4 3670 B11R1.27 BrCCOCc1cc(cs1)Br 34a_100000211926_100000746031 [0,2,0,0,0,0|0,1,0]=3 3671 B11R1.27 BrCCOCc1ccc(s1)Br 34a_100000211926_100000708592 [0,2,0,0,0,0|0,1,0]=3 3672 B11R1.27 BrCCOCc1cnc(s1)Br 34a_100000211926_100000717027 [0,2,0,0,0,0|1,1,0]=4 3673 B11R1.27 C#CCNCc1ccc(o1)Br 34a_100000708654_100000184674 [0,2,0,0,0,0|1,0,1]=4 3674 B11R1.27 C#CCNCc1ccc(o1)C 34a_100011194323_100000184674 [0,2,0,0,0,0|1,0,1]=4 3675 B11R1.27 C#CCOCc1cc(cs1)Br 34a_100000210247_100000746031 [0,2,0,0,0,0|0,1,1]=4 3676 B11R1.27 C#CCOCc1cc(cs1)Br 34a_100000238369_100000184674 [0,2,0,0,0,0|0,1,1]=4 3677 B11R1.27 C#CCOCc1cc(cs1)Br 7a_100000238369_100000038162 [0,2,0,0,0,0|0,1,1]=4 3678 B11R1.27 C#CCOCc1cc(cs1)C 34a_200000068372_100000184674 [0,2,0,0,0,0|0,1,1]=4 3679 B11R1.27 C#CCOCc1cc(cs1)C 7a_200000068372_100000038162 [0,2,0,0,0,0|0,1,1]=4 3680 B11R1.27 C#CCOCc1cc(no1)Br 34a_100009816691_100000184674 [0,2,0,0,0,0|1,0,1]=4 3681 B11R1.27 C#CCOCc1cc(no1)C 34a_100000210247_100000707947 [0,2,0,0,0,0|1,0,1]=4 3682 B11R1.27 C#CCOCc1cc(no1)C 34a_100000684692_100000184674 [0,2,0,0,0,0|1,0,1]=4 3683 B11R1.27 C#CCOCc1ccc(o1)Br 34a_100000246276_100000184674 [0,2,0,0,0,0|0,0,1]=3 3684 B11R1.27 C#CCOCc1ccc(o1)Br 7a_100000246276_100000038162 [0,2,0,0,0,0|0,0,1]=3 3685 B11R1.27 C#CCOCc1ccc(o1)C 34a_100011232665_100000184674 [0,2,0,0,0,0|0,0,1]=3 3686 B11R1.27 C#CCOCc1ccc(o1)C 7a_100011232665_100000038162 [0,2,0,0,0,0|0,0,1]=3 3687 B11R1.27 C#CCOCc1ccc(s1)Br 34a_100000210247_100000708592 [0,2,0,0,0,0|0,1,1]=4 3688 B11R1.27 C#CCOCc1ccc(s1)C 34a_100000238367_100000184674 [0,2,0,0,0,0|0,1,1]=4 3689 B11R1.27 C#CCOCc1ccc(s1)Cl 34a_100000210247_100000185097 [0,2,0,0,0,0|0,1,1]=4 3690 B11R1.27 C=CCNCc1cc(co1)Br 270004a_100020586998_100000747035 [0,2,0,0,0,0|1,0,1]=4 3691 B11R1.27 C=CCNCc1ccc(o1)Br 270004a_100020586998_100000185145 [0,2,0,0,0,0|1,0,1]=4 3692 B11R1.27 C=CCNCc1ccc(o1)Br 34a_100000708654_100015514636 [0,2,0,0,0,0|1,0,1]=4 3693 B11R1.27 C=CCNCc1ccc(o1)C 270004a_100020586998_100000183696 [0,2,0,0,0,0|1,0,1]=4 3694 B11R1.27 C=CCNCc1ccc(o1)C 34a_100011194323_100015514636 [0,2,0,0,0,0|1,0,1]=4 3695 B11R1.27 C=CCNCc1ccc(o1)Cl 270004a_100020586998_100000188459 [0,2,0,0,0,0|1,0,1]=4 3696 B11R1.27 C=CCOCc1cc(cs1)Br 34a_100000238369_100015514636 [0,2,0,0,0,0|0,1,1]=4 3697 B11R1.27 C=CCOCc1cc(cs1)Br 34a_200000210373_100000746031 [0,2,0,0,0,0|0,1,1]=4 3698 B11R1.27 C=CCOCc1cc(cs1)Br 7a_100000238369_100015514636 [0,2,0,0,0,0|0,1,1]=4 3699 B11R1.27 C=CCOCc1cc(cs1)C 34a_200000068372_100015514636 [0,2,0,0,0,0|0,1,1]=4 3700 B11R1.27 C=CCOCc1cc(cs1)C 7a_200000068372_100015514636 [0,2,0,0,0,0|0,1,1]=4 3701 B11R1.27 C=CCOCc1cc(no1)Br 34a_100009816691_100015514636 [0,2,0,0,0,0|1,0,1]=4 3702 B11R1.27 C=CCOCc1cc(no1)C 34a_100000684692_100015514636 [0,2,0,0,0,0|1,0,1]=4 3703 B11R1.27 C=CCOCc1cc(no1)C 34a_200000210373_100000707947 [0,2,0,0,0,0|1,0,1]=4 3704 B11R1.27 C=CCOCc1ccc(o1)Br 34a_100000246276_100015514636 [0,2,0,0,0,0|0,0,1]=3 3705 B11R1.27 C=CCOCc1ccc(o1)Br 7a_100000246276_100015514636 [0,2,0,0,0,0|0,0,1]=3 3706 B11R1.27 C=CCOCc1ccc(o1)C 34a_100011232665_100015514636 [0,2,0,0,0,0|0,0,1]=3 3707 B11R1.27 C=CCOCc1ccc(o1)C 7a_100011232665_100015514636 [0,2,0,0,0,0|0,0,1]=3 3708 B11R1.27 C=CCOCc1ccc(s1)Br 34a_200000210373_100000708592 [0,2,0,0,0,0|0,1,1]=4 3709 B11R1.27 C=CCOCc1ccc(s1)C 34a_100000238367_100015514636 [0,2,0,0,0,0|0,1,1]=4 3710 B11R1.27 C=CCOCc1ccc(s1)Cl 34a_200000210373_100000185097 [0,2,0,0,0,0|0,1,1]=4 3711 B11R1.27 CCCCSc1cc(cs1)C 62a_100000210211_100009876951 [0,2,0,0,0,0|1,1,0]=4 3712 B11R1.27 CCCCSc1cc(cs1)C 62a_100009876951_100000210210 [0,2,0,0,0,0|1,1,0]=4 3713 B11R1.27 CCCCSc1ccc(s1)Br 62a_100000210211_100010197418 [0,2,0,0,0,0|1,1,0]=4 3714 B11R1.27 CCCCSc1ccc(s1)Br 62a_100010197418_100000210210 [0,2,0,0,0,0|1,1,0]=4 3715 B11R1.27 CCCCSc1ccc(s1)C 62a_100000031368_100000210210 [0,2,0,0,0,0|1,1,0]=4 3716 B11R1.27 CCCCSc1ccc(s1)C 62a_100000210211_100000031368 [0,2,0,0,0,0|1,1,0]=4 3717 B11R1.27 CCCNCc1cc(c[nH]1)Br 270004a_100020643023_100000720742 [0,2,0,0,0,0|2,0,0]=4 3718 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [0,2,0,0,0,0|1,0,0]=3 3719 B11R1.27 CCCNCc1cc(cs1)Br 207a_100020643023_100000211722 [0,2,0,0,0,0|1,1,0]=4 3720 B11R1.27 CCCNCc1cc(cs1)Br 2230a_100000741024_100000210303 [0,2,0,0,0,0|1,1,0]=4 3721 B11R1.27 CCCNCc1cc(cs1)Br 270004a_100020643023_100000211722 [0,2,0,0,0,0|1,1,0]=4 3722 B11R1.27 CCCNCc1cc(cs1)Br 34a_100000741024_100000210303 [0,2,0,0,0,0|1,1,0]=4 3723 B11R1.27 CCCNCc1cc(cs1)C 207a_100020643023_100102525248 [0,2,0,0,0,0|1,1,0]=4 3724 B11R1.27 CCCNCc1cc(cs1)C 2230a_100015204214_100000210303 [0,2,0,0,0,0|1,1,0]=4 3725 B11R1.27 CCCNCc1cc(cs1)C 270004a_100020643023_100102525248 [0,2,0,0,0,0|1,1,0]=4 3726 B11R1.27 CCCNCc1cc(cs1)C 34a_100015204214_100000210303 [0,2,0,0,0,0|1,1,0]=4 3727 B11R1.27 CCCNCc1cc(cs1)Cl 207a_100020643023_100000102487 [0,2,0,0,0,0|1,1,0]=4 3728 B11R1.27 CCCNCc1cc(cs1)Cl 270004a_100020643023_100000102487 [0,2,0,0,0,0|1,1,0]=4 3729 B11R1.27 CCCNCc1cc(cs1)I 207a_100020643023_100010179861 [0,2,0,0,0,0|1,1,0]=4 3730 B11R1.27 CCCNCc1cc(no1)Br 2230a_100015193020_100000210303 [0,2,0,0,0,0|2,0,0]=4 3731 B11R1.27 CCCNCc1cc(no1)Br 270004a_100020643023_100009819588 [0,2,0,0,0,0|2,0,0]=4 3732 B11R1.27 CCCNCc1cc(no1)Br 34a_100015193020_100000210303 [0,2,0,0,0,0|2,0,0]=4 3733 B11R1.27 CCCNCc1cc(no1)C 207a_100020643023_100011794430 [0,2,0,0,0,0|2,0,0]=4 3734 B11R1.27 CCCNCc1cc(no1)C 2230a_100000745748_100000210303 [0,2,0,0,0,0|2,0,0]=4 3735 B11R1.27 CCCNCc1cc(no1)C 270004a_100020643023_100011794430 [0,2,0,0,0,0|2,0,0]=4 3736 B11R1.27 CCCNCc1cc(no1)C 34a_100000745748_100000210303 [0,2,0,0,0,0|2,0,0]=4 3737 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [0,2,0,0,0,0|1,0,0]=3 3738 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [0,2,0,0,0,0|1,0,0]=3 3739 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [0,2,0,0,0,0|1,0,0]=3 3740 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,2,0,0,0,0|1,0,0]=3 3741 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,2,0,0,0,0|1,0,0]=3 3742 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,2,0,0,0,0|1,0,0]=3 3743 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [0,2,0,0,0,0|1,0,0]=3 3744 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [0,2,0,0,0,0|1,0,0]=3 3745 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [0,2,0,0,0,0|1,0,0]=3 3746 B11R1.27 CCCNCc1ccc(s1)Br 207a_100020643023_100000179771 [0,2,0,0,0,0|1,1,0]=4 3747 B11R1.27 CCCNCc1ccc(s1)Br 270004a_100020643023_100000179771 [0,2,0,0,0,0|1,1,0]=4 3748 B11R1.27 CCCNCc1ccc(s1)C 207a_100020643023_100000211121 [0,2,0,0,0,0|1,1,0]=4 3749 B11R1.27 CCCNCc1ccc(s1)C 2230a_100000238518_100000210303 [0,2,0,0,0,0|1,1,0]=4 3750 B11R1.27 CCCNCc1ccc(s1)C 270004a_100020643023_100000211121 [0,2,0,0,0,0|1,1,0]=4 3751 B11R1.27 CCCNCc1ccc(s1)Cl 207a_100020643023_100000242774 [0,2,0,0,0,0|1,1,0]=4 3752 B11R1.27 CCCNCc1ccc(s1)Cl 2230a_100000737310_100000210303 [0,2,0,0,0,0|1,1,0]=4 3753 B11R1.27 CCCNCc1ccc(s1)Cl 270004a_100020643023_100000242774 [0,2,0,0,0,0|1,1,0]=4 3754 B11R1.27 CCCNCc1cnc(o1)C 207a_100020643023_100000084308 [0,2,0,0,0,0|2,0,0]=4 3755 B11R1.27 CCCNCc1cnc(o1)C 270004a_100020643023_100000084308 [0,2,0,0,0,0|2,0,0]=4 3756 B11R1.27 CCCNCc1ncc(o1)C 2230a_100138411809_100000210303 [0,2,0,0,0,0|2,0,0]=4 3757 B11R1.27 CCCNCc1ncc(o1)C 34a_100138411809_100000210303 [0,2,0,0,0,0|2,0,0]=4 3758 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,2,0,0,0,0|2,0,0]=4 3759 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000210258_100000746031 [0,2,0,0,0,0|0,1,0]=3 3760 B11R1.27 CCCOCc1cc(cs1)Br 34a_100000238369_100000210303 [0,2,0,0,0,0|0,1,0]=3 3761 B11R1.27 CCCOCc1cc(cs1)Br 7a_100000238369_100000210303 [0,2,0,0,0,0|0,1,0]=3 3762 B11R1.27 CCCOCc1cc(cs1)C 34a_200000068372_100000210303 [0,2,0,0,0,0|0,1,0]=3 3763 B11R1.27 CCCOCc1cc(cs1)C 7a_200000068372_100000210303 [0,2,0,0,0,0|0,1,0]=3 3764 B11R1.27 CCCOCc1cc(no1)Br 34a_100009816691_100000210303 [0,2,0,0,0,0|1,0,0]=3 3765 B11R1.27 CCCOCc1cc(no1)C 34a_100000210258_100000707947 [0,2,0,0,0,0|1,0,0]=3 3766 B11R1.27 CCCOCc1cc(no1)C 34a_100000684692_100000210303 [0,2,0,0,0,0|1,0,0]=3 3767 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [0,2,0,0,0,0|2,0,0]=4 3768 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [0,2,0,0,0,0|2,0,0]=4 3769 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [0,2,0,0,0,0|0,0,0]=2 3770 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [0,2,0,0,0,0|0,0,0]=2 3771 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,2,0,0,0,0|0,0,0]=2 3772 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,2,0,0,0,0|0,0,0]=2 3773 B11R1.27 CCCOCc1ccc(s1)Br 34a_100000210258_100000708592 [0,2,0,0,0,0|0,1,0]=3 3774 B11R1.27 CCCOCc1ccc(s1)C 34a_100000238367_100000210303 [0,2,0,0,0,0|0,1,0]=3 3775 B11R1.27 CCCOCc1ccc(s1)Cl 34a_100000210258_100000185097 [0,2,0,0,0,0|0,1,0]=3 3776 B11R1.27 CCCOCc1ccn(n1)C 34a_100000210258_100000726502 [0,2,0,0,0,0|2,0,0]=4 3777 B11R1.27 CCCOCc1ccn(n1)C 34a_100000744484_100000210303 [0,2,0,0,0,0|2,0,0]=4 3778 B11R1.27 CCCOCc1cn(cn1)C 34a_100000210258_100000717665 [0,2,0,0,0,0|2,0,0]=4 3779 B11R1.27 CCCOCc1cn(cn1)C 34a_100000710007_100000210303 [0,2,0,0,0,0|2,0,0]=4 3780 B11R1.27 CCCOCc1cnc(s1)Br 34a_100000210258_100000717027 [0,2,0,0,0,0|1,1,0]=4 3781 B11R1.27 CCCOCc1cnc(s1)Br 7a_100009816753_100000210303 [0,2,0,0,0,0|1,1,0]=4 3782 B11R1.27 CCCOCc1cnc(s1)C 34a_100000210258_100020635045 [0,2,0,0,0,0|1,1,0]=4 3783 B11R1.27 CCCOCc1cnc(s1)C 7a_100000743366_100000210303 [0,2,0,0,0,0|1,1,0]=4 3784 B11R1.27 CCCOCc1cnc(s1)Cl 34a_100000210258_100000058068 [0,2,0,0,0,0|1,1,0]=4 3785 B11R1.27 CCCOCc1cnc(s1)Cl 7a_100000697714_100000210303 [0,2,0,0,0,0|1,1,0]=4 3786 B11R1.27 CCCOCc1cnc(s1)N 7a_100011997359_100000210303 [0,2,0,0,0,0|1,1,0]=4 3787 B11R1.27 CCCOCc1coc(n1)C 34a_100012017233_100000210303 [0,2,0,0,0,0|2,0,0]=4 3788 B11R1.27 CCCOCc1csc(c1)Cl 34a_100009863405_100000210303 [0,2,0,0,0,0|2,0,0]=4 3789 B11R1.27 CCCOCc1csc(c1)Cl 7a_100009863405_100000210303 [0,2,0,0,0,0|2,0,0]=4 3790 B11R1.27 CCCOCc1csc(n1)C 34a_100000210258_100015186478 [0,2,0,0,0,0|2,0,0]=4 3791 B11R1.27 CCCOCc1csc(n1)C 34a_100000735831_100000210303 [0,2,0,0,0,0|2,0,0]=4 3792 B11R1.27 CCCOCc1csc(n1)Cl 34a_100000210258_100000024076 [0,2,0,0,0,0|2,0,0]=4 3793 B11R1.27 CCCOCc1nc(cs1)Br 7a_100012000107_100000210303 [0,2,0,0,0,0|1,1,0]=4 3794 B11R1.27 CCCOCc1nc(no1)C 270196a_100000212224_100000745993 [0,2,0,0,0,0|2,0,0]=4 3795 B11R1.27 CCCOCc1nc(no1)C 34a_100000210258_100000735555 [0,2,0,0,0,0|2,0,0]=4 3796 B11R1.27 CCCOCc1nc(no1)C 34a_100000749583_100000210303 [0,2,0,0,0,0|2,0,0]=4 3797 B11R1.27 CCCOCc1nnc(o1)C 34a_100000749586_100000210303 [0,2,0,0,0,0|2,0,0]=4 3798 B11R1.27 CCCOCn1cc(cn1)Cl 34a_100000732729_100000210303 [0,2,0,0,0,0|2,0,0]=4 3799 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000210303_100000746031 [0,2,0,0,0,0|0,2,0]=4 3800 B11R1.27 CCCSCc1cc(cs1)Br 62a_100000746031_100000210303 [0,2,0,0,0,0|0,2,0]=4 3801 B11R1.27 CCCSCc1cc(no1)Br 62a_100000210303_100000709089 [0,2,0,0,0,0|1,1,0]=4 3802 B11R1.27 CCCSCc1cc(no1)Br 62a_100000709089_100000210303 [0,2,0,0,0,0|1,1,0]=4 3803 B11R1.27 CCCSCc1cc(no1)C 62a_100000210303_100000707947 [0,2,0,0,0,0|1,1,0]=4 3804 B11R1.27 CCCSCc1cc(no1)C 62a_100000707947_100000210303 [0,2,0,0,0,0|1,1,0]=4 3805 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000210303_100000708592 [0,2,0,0,0,0|0,2,0]=4 3806 B11R1.27 CCCSCc1ccc(s1)Br 62a_100000708592_100000210303 [0,2,0,0,0,0|0,2,0]=4 3807 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000185097_100000210303 [0,2,0,0,0,0|0,2,0]=4 3808 B11R1.27 CCCSCc1ccc(s1)Cl 62a_100000210303_100000185097 [0,2,0,0,0,0|0,2,0]=4 3809 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,2,0,0,0,0|1,0,0]=3 3810 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,2,0,0,0,0|1,0,0]=3 3811 B11R1.27 CCNCCc1ccc(s1)Br 2230a_100000217605_100000210202 [0,2,0,0,0,0|1,1,0]=4 3812 B11R1.27 CCNN=Cc1cc(co1)Br 4a_100000756455_100000747035 [0,2,0,0,0,0|1,0,1]=4 3813 B11R1.27 CCNN=Cc1ccc(o1)Br 4a_100000756455_100000185145 [0,2,0,0,0,0|1,0,1]=4 3814 B11R1.27 CCNN=Cc1ccc(o1)C 4a_100000756455_100000183696 [0,2,0,0,0,0|1,0,1]=4 3815 B11R1.27 CCNN=Cc1ccc(o1)Cl 4a_100000756455_100000188459 [0,2,0,0,0,0|1,0,1]=4 3816 B11R1.27 CCNN=Cc1ccc(o1)I 4a_100000756455_100000186757 [0,2,0,0,0,0|1,0,1]=4 3817 B11R1.27 CCOC=Cc1cc(cs1)C 271570a_100016256518_100009876951 [0,2,0,0,0,0|0,1,1]=4 3818 B11R1.27 CCOC=Cc1ccc(s1)Br 271570a_100016256518_100010197418 [0,2,0,0,0,0|0,1,1]=4 3819 B11R1.27 CCOC=Cc1ccc(s1)C 271570a_100016256518_100000761539 [0,2,0,0,0,0|0,1,1]=4 3820 B11R1.27 CCOCCc1cc(no1)Br 34a_100009816916_100000210202 [0,2,0,0,0,0|1,0,0]=3 3821 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,2,0,0,0,0|0,0,0]=2 3822 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,2,0,0,0,0|0,0,0]=2 3823 B11R1.27 CCOCCc1cnc(s1)N 7a_100000124125_100000210202 [0,2,0,0,0,0|1,1,0]=4 3824 B11R1.27 CCOCCc1csc(n1)C 34a_100011934828_100000210202 [0,2,0,0,0,0|2,0,0]=4 3825 B11R1.27 CCOCCc1csc(n1)C 34a_100121572206_100000695623 [0,2,0,0,0,0|2,0,0]=4 3826 B11R1.27 CCOCCc1nc(no1)C 270196a_100000212224_100000749530 [0,2,0,0,0,0|2,0,0]=4 3827 B11R1.27 CCOCCn1cc(cn1)Br 34a_100011236722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3828 B11R1.27 CCOCCn1cc(cn1)C 34a_100011363705_100000210202 [0,2,0,0,0,0|2,0,0]=4 3829 B11R1.27 CCOCCn1cc(cn1)Cl 34a_100011398116_100000210202 [0,2,0,0,0,0|2,0,0]=4 3830 B11R1.27 CCOCCn1cc(cn1)I 34a_100012072722_100000210202 [0,2,0,0,0,0|2,0,0]=4 3831 B11R1.27 CCOCCn1cc(cn1)N 34a_100000743930_100000210202 [0,2,0,0,0,0|2,0,0]=4 3832 B11R1.27 CCOCCn1ccc(n1)Br 34a_200010732121_100000210202 [0,2,0,0,0,0|2,0,0]=4 3833 B11R1.27 CCOCCn1ccc(n1)N 34a_100000752724_100000210202 [0,2,0,0,0,0|2,0,0]=4 3834 B11R1.27 CCOCSc1c[nH]c(n1)C 62a_100000739092_100009814057 [0,2,0,0,0,0|2,0,0]=4 3835 B11R1.27 CCOCSc1c[nH]c(n1)C 62a_100009814057_100000739092 [0,2,0,0,0,0|2,0,0]=4 3836 B11R1.27 CCOCSc1cc([nH]n1)C 62a_100000739092_100009819999 [0,2,0,0,0,0|2,0,0]=4 3837 B11R1.27 CCOCSc1cc([nH]n1)C 62a_100009819999_100000739092 [0,2,0,0,0,0|2,0,0]=4 3838 B11R1.27 CCOCSc1cc([nH]n1)N 62a_100000739092_100009822546 [0,2,0,0,0,0|2,0,0]=4 3839 B11R1.27 CCOCSc1cc([nH]n1)N 62a_100009822546_100000739092 [0,2,0,0,0,0|2,0,0]=4 3840 B11R1.27 CCOCSc1cc(cs1)C 62a_100000739092_100009876951 [0,2,0,0,0,0|0,1,0]=3 3841 B11R1.27 CCOCSc1cc(cs1)C 62a_100009876951_100000739092 [0,2,0,0,0,0|0,1,0]=3 3842 B11R1.27 CCOCSc1cc(n[nH]1)Br 62a_100000739092_100160470719 [0,2,0,0,0,0|2,0,0]=4 3843 B11R1.27 CCOCSc1cc(n[nH]1)Br 62a_100160470719_100000739092 [0,2,0,0,0,0|2,0,0]=4 3844 B11R1.27 CCOCSc1cc(ns1)C 62a_100000739092_100009815735 [0,2,0,0,0,0|1,1,0]=4 3845 B11R1.27 CCOCSc1cc(ns1)C 62a_100009815735_100000739092 [0,2,0,0,0,0|1,1,0]=4 3846 B11R1.27 CCOCSc1cc(on1)C 62a_100000716708_100000739092 [0,2,0,0,0,0|2,0,0]=4 3847 B11R1.27 CCOCSc1cc(on1)C 62a_100000739092_100000716708 [0,2,0,0,0,0|2,0,0]=4 3848 B11R1.27 CCOCSc1ccc(s1)Br 62a_100000739092_100010197418 [0,2,0,0,0,0|0,1,0]=3 3849 B11R1.27 CCOCSc1ccc(s1)Br 62a_100010197418_100000739092 [0,2,0,0,0,0|0,1,0]=3 3850 B11R1.27 CCOCSc1ccc(s1)C 62a_100000031368_100000739092 [0,2,0,0,0,0|0,1,0]=3 3851 B11R1.27 CCOCSc1ccc(s1)C 62a_100000739092_100000031368 [0,2,0,0,0,0|0,1,0]=3 3852 B11R1.27 CCOCSc1ccn(n1)C 62a_100000739092_100000752436 [0,2,0,0,0,0|2,0,0]=4 3853 B11R1.27 CCOCSc1ccn(n1)C 62a_100000752436_100000739092 [0,2,0,0,0,0|2,0,0]=4 3854 B11R1.27 CCOCSc1cn(cn1)C 62a_100000040308_100000739092 [0,2,0,0,0,0|2,0,0]=4 3855 B11R1.27 CCOCSc1cn(cn1)C 62a_100000739092_100000040308 [0,2,0,0,0,0|2,0,0]=4 3856 B11R1.27 CCOCSc1cnc(s1)Br 62a_100000739092_100012357534 [0,2,0,0,0,0|1,1,0]=4 3857 B11R1.27 CCOCSc1cnc(s1)Br 62a_100012357534_100000739092 [0,2,0,0,0,0|1,1,0]=4 3858 B11R1.27 CCOCSc1cnc(s1)C 62a_100000739092_100000764884 [0,2,0,0,0,0|1,1,0]=4 3859 B11R1.27 CCOCSc1cnc(s1)C 62a_100000764884_100000739092 [0,2,0,0,0,0|1,1,0]=4 3860 B11R1.27 CCOCSc1cnc(s1)N 62a_100000718969_100000739092 [0,2,0,0,0,0|1,1,0]=4 3861 B11R1.27 CCOCSc1cnc(s1)N 62a_100000739092_100000718969 [0,2,0,0,0,0|1,1,0]=4 3862 B11R1.27 CCOCSc1csc(c1)C 62a_100000739092_100000759034 [0,2,0,0,0,0|2,0,0]=4 3863 B11R1.27 CCOCSc1csc(c1)C 62a_100000759034_100000739092 [0,2,0,0,0,0|2,0,0]=4 3864 B11R1.27 CCOCSc1csc(n1)C 62a_100000739092_100011934587 [0,2,0,0,0,0|2,0,0]=4 3865 B11R1.27 CCOCSc1csc(n1)C 62a_100011934587_100000739092 [0,2,0,0,0,0|2,0,0]=4 3866 B11R1.27 CCOCSc1csc(n1)N 62a_100000739092_100011998049 [0,2,0,0,0,0|2,0,0]=4 3867 B11R1.27 CCOCSc1csc(n1)N 62a_100011998049_100000739092 [0,2,0,0,0,0|2,0,0]=4 3868 B11R1.27 CCOCSc1nc(c[nH]1)C 62a_100000739092_100161115468 [0,2,0,0,0,0|2,0,0]=4 3869 B11R1.27 CCOCSc1nc(c[nH]1)C 62a_100161115468_100000739092 [0,2,0,0,0,0|2,0,0]=4 3870 B11R1.27 CCOCSc1nc(cs1)Br 62a_100000739092_200016082925 [0,2,0,0,0,0|1,1,0]=4 3871 B11R1.27 CCOCSc1nc(cs1)Br 62a_200016082925_100000739092 [0,2,0,0,0,0|1,1,0]=4 3872 B11R1.27 CCOCSc1nc(cs1)C 62a_100000739092_100011291629 [0,2,0,0,0,0|1,1,0]=4 3873 B11R1.27 CCOCSc1nc(cs1)C 62a_100011291629_100000739092 [0,2,0,0,0,0|1,1,0]=4 3874 B11R1.27 CCOCSc1nc(cs1)N 62a_100000739092_200015188442 [0,2,0,0,0,0|1,1,0]=4 3875 B11R1.27 CCOCSc1nc(cs1)N 62a_200015188442_100000739092 [0,2,0,0,0,0|1,1,0]=4 3876 B11R1.27 CCOCSc1ncc(s1)C 62a_100000690809_100000739092 [0,2,0,0,0,0|1,1,0]=4 3877 B11R1.27 CCOCSc1ncc(s1)C 62a_100000739092_100000690809 [0,2,0,0,0,0|1,1,0]=4 3878 B11R1.27 CCOCSc1nnc(o1)C 62a_100000739092_100000708914 [0,2,0,0,0,0|2,0,0]=4 3879 B11R1.27 COCNCc1cc(cs1)Br 2230a_100000741024_100000766300 [0,2,0,0,0,0|1,1,0]=4 3880 B11R1.27 COCNCc1cc(cs1)C 2230a_100015204214_100000766300 [0,2,0,0,0,0|1,1,0]=4 3881 B11R1.27 COCNCc1cc(no1)Br 2230a_100015193020_100000766300 [0,2,0,0,0,0|2,0,0]=4 3882 B11R1.27 COCNCc1cc(no1)C 2230a_100000745748_100000766300 [0,2,0,0,0,0|2,0,0]=4 3883 B11R1.27 COCNCc1ccc(s1)C 2230a_100000238518_100000766300 [0,2,0,0,0,0|1,1,0]=4 3884 B11R1.27 COCNCc1ccc(s1)Cl 2230a_100000737310_100000766300 [0,2,0,0,0,0|1,1,0]=4 3885 B11R1.27 COCNCc1ncc(o1)C 2230a_100138411809_100000766300 [0,2,0,0,0,0|2,0,0]=4 3886 B11R1.27 COCSCc1cc(cs1)Br 62a_100000746031_100000766300 [0,2,0,0,0,0|0,2,0]=4 3887 B11R1.27 COCSCc1cc(cs1)Br 62a_100000766300_100000746031 [0,2,0,0,0,0|0,2,0]=4 3888 B11R1.27 COCSCc1cc(no1)Br 62a_100000709089_100000766300 [0,2,0,0,0,0|1,1,0]=4 3889 B11R1.27 COCSCc1cc(no1)Br 62a_100000766300_100000709089 [0,2,0,0,0,0|1,1,0]=4 3890 B11R1.27 COCSCc1cc(no1)C 62a_100000707947_100000766300 [0,2,0,0,0,0|1,1,0]=4 3891 B11R1.27 COCSCc1cc(no1)C 62a_100000766300_100000707947 [0,2,0,0,0,0|1,1,0]=4 3892 B11R1.27 COCSCc1ccc(s1)Br 62a_100000708592_100000766300 [0,2,0,0,0,0|0,2,0]=4 3893 B11R1.27 COCSCc1ccc(s1)Br 62a_100000766300_100000708592 [0,2,0,0,0,0|0,2,0]=4 3894 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000185097_100000766300 [0,2,0,0,0,0|0,2,0]=4 3895 B11R1.27 COCSCc1ccc(s1)Cl 62a_100000766300_100000185097 [0,2,0,0,0,0|0,2,0]=4 3896 B11R1.27 CSCNCc1cc(cs1)Br 2230a_100000741024_100011218213 [0,2,0,0,0,0|1,1,0]=4 3897 B11R1.27 CSCNCc1cc(cs1)Br 34a_100000741024_100011218213 [0,2,0,0,0,0|1,1,0]=4 3898 B11R1.27 CSCNCc1cc(cs1)C 2230a_100015204214_100011218213 [0,2,0,0,0,0|1,1,0]=4 3899 B11R1.27 CSCNCc1cc(cs1)C 34a_100015204214_100011218213 [0,2,0,0,0,0|1,1,0]=4 3900 B11R1.27 CSCNCc1cc(no1)Br 2230a_100015193020_100011218213 [0,2,0,0,0,0|2,0,0]=4 3901 B11R1.27 CSCNCc1cc(no1)Br 34a_100015193020_100011218213 [0,2,0,0,0,0|2,0,0]=4 3902 B11R1.27 CSCNCc1cc(no1)C 2230a_100000745748_100011218213 [0,2,0,0,0,0|2,0,0]=4 3903 B11R1.27 CSCNCc1cc(no1)C 34a_100000745748_100011218213 [0,2,0,0,0,0|2,0,0]=4 3904 B11R1.27 CSCNCc1ccc(o1)Br 34a_100000708654_100011218213 [0,2,0,0,0,0|1,0,0]=3 3905 B11R1.27 CSCNCc1ccc(o1)C 34a_100011194323_100011218213 [0,2,0,0,0,0|1,0,0]=3 3906 B11R1.27 CSCNCc1ccc(s1)C 2230a_100000238518_100011218213 [0,2,0,0,0,0|1,1,0]=4 3907 B11R1.27 CSCNCc1ccc(s1)Cl 2230a_100000737310_100011218213 [0,2,0,0,0,0|1,1,0]=4 3908 B11R1.27 CSCNCc1ncc(o1)C 2230a_100138411809_100011218213 [0,2,0,0,0,0|2,0,0]=4 3909 B11R1.27 CSCNCc1ncc(o1)C 34a_100138411809_100011218213 [0,2,0,0,0,0|2,0,0]=4 3910 B11R1.27 CSCOCc1cc(cs1)Br 34a_100000238369_100011218213 [0,2,0,0,0,0|0,1,0]=3 3911 B11R1.27 CSCOCc1cc(cs1)C 34a_200000068372_100011218213 [0,2,0,0,0,0|0,1,0]=3 3912 B11R1.27 CSCOCc1cc(no1)Br 34a_100009816691_100011218213 [0,2,0,0,0,0|1,0,0]=3 3913 B11R1.27 CSCOCc1cc(no1)C 34a_100000684692_100011218213 [0,2,0,0,0,0|1,0,0]=3 3914 B11R1.27 CSCOCc1cc(on1)C 34a_100011216401_100011218213 [0,2,0,0,0,0|2,0,0]=4 3915 B11R1.27 CSCOCc1ccc(o1)Br 34a_100000246276_100011218213 [0,2,0,0,0,0|0,0,0]=2 3916 B11R1.27 CSCOCc1ccc(o1)C 34a_100011232665_100011218213 [0,2,0,0,0,0|0,0,0]=2 3917 B11R1.27 CSCOCc1ccc(s1)C 34a_100000238367_100011218213 [0,2,0,0,0,0|0,1,0]=3 3918 B11R1.27 CSCOCc1ccn(n1)C 34a_100000744484_100011218213 [0,2,0,0,0,0|2,0,0]=4 3919 B11R1.27 CSCOCc1cn(cn1)C 34a_100000710007_100011218213 [0,2,0,0,0,0|2,0,0]=4 3920 B11R1.27 CSCOCc1coc(n1)C 34a_100012017233_100011218213 [0,2,0,0,0,0|2,0,0]=4 3921 B11R1.27 CSCOCc1csc(c1)Cl 34a_100009863405_100011218213 [0,2,0,0,0,0|2,0,0]=4 3922 B11R1.27 CSCOCc1csc(n1)C 34a_100000735831_100011218213 [0,2,0,0,0,0|2,0,0]=4 3923 B11R1.27 CSCOCc1nc(no1)C 34a_100000749583_100011218213 [0,2,0,0,0,0|2,0,0]=4 3924 B11R1.27 CSCOCc1nnc(o1)C 34a_100000749586_100011218213 [0,2,0,0,0,0|2,0,0]=4 3925 B11R1.27 CSCOCn1cc(cn1)Cl 34a_100000732729_100011218213 [0,2,0,0,0,0|2,0,0]=4 3926 B11R1.27 CSCSCc1cc(cs1)Br 62a_100000746031_100011218213 [0,2,0,0,0,0|0,2,0]=4 3927 B11R1.27 CSCSCc1cc(cs1)Br 62a_100011218213_100000746031 [0,2,0,0,0,0|0,2,0]=4 3928 B11R1.27 CSCSCc1cc(no1)Br 62a_100000709089_100011218213 [0,2,0,0,0,0|1,1,0]=4 3929 B11R1.27 CSCSCc1cc(no1)Br 62a_100011218213_100000709089 [0,2,0,0,0,0|1,1,0]=4 3930 B11R1.27 CSCSCc1cc(no1)C 62a_100000707947_100011218213 [0,2,0,0,0,0|1,1,0]=4 3931 B11R1.27 CSCSCc1cc(no1)C 62a_100011218213_100000707947 [0,2,0,0,0,0|1,1,0]=4 3932 B11R1.27 CSCSCc1ccc(s1)Br 62a_100000708592_100011218213 [0,2,0,0,0,0|0,2,0]=4 3933 B11R1.27 CSCSCc1ccc(s1)Br 62a_100011218213_100000708592 [0,2,0,0,0,0|0,2,0]=4 3934 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100000185097_100011218213 [0,2,0,0,0,0|0,2,0]=4 3935 B11R1.27 CSCSCc1ccc(s1)Cl 62a_100011218213_100000185097 [0,2,0,0,0,0|0,2,0]=4 3936 B11R1.27 Cc1cc(no1)COCCBr 34a_100000211926_100000199038 [0,2,0,0,0,0|2,0,0]=4 3937 B11R1.27 Cc1cc(no1)COCCF 34a_100011216401_100011217306 [0,2,0,0,0,0|2,0,0]=4 3938 B11R1.27 Cc1cc(no1)COCCN 34a_100000210304_100000199038 [0,2,0,0,0,0|2,0,0]=4 3939 B11R1.27 Cc1cc(no1)COCCO 34a_100011216401_100000211926 [0,2,0,0,0,0|2,0,0]=4 3940 B11R1.27 Cc1cc(on1)CNCCF 2230a_100000745748_100011217306 [0,2,0,0,0,0|2,0,0]=4 3941 B11R1.27 Cc1cc(on1)CNCCF 34a_100000724931_100000707947 [0,2,0,0,0,0|2,0,0]=4 3942 B11R1.27 Cc1cc(on1)CNCCF 34a_100000745748_100011217306 [0,2,0,0,0,0|2,0,0]=4 3943 B11R1.27 Cc1cc(on1)CNCCO 207a_100000210304_100011794430 [0,2,0,0,0,0|2,0,0]=4 3944 B11R1.27 Cc1cc(on1)CNCCO 2230a_100000745748_100000211926 [0,2,0,0,0,0|2,0,0]=4 3945 B11R1.27 Cc1cc(on1)CNCCO 2230a_100016997473_100000707947 [0,2,0,0,0,0|2,0,0]=4 3946 B11R1.27 Cc1cc(on1)CNCCO 270004a_100000210304_100011794430 [0,2,0,0,0,0|2,0,0]=4 3947 B11R1.27 Cc1cc(on1)CNCCO 34a_100000745748_100000211926 [0,2,0,0,0,0|2,0,0]=4 3948 B11R1.27 Cc1cc(on1)CNCCO 34a_100016990907_100000707947 [0,2,0,0,0,0|2,0,0]=4 3949 B11R1.27 Cc1cc(on1)COCC=O 34a_100000684692_200009817547 [0,2,0,0,0,0|1,0,1]=4 3950 B11R1.27 Cc1cc(on1)COCCBr 34a_100000211926_100000707947 [0,2,0,0,0,0|1,0,0]=3 3951 B11R1.27 Cc1cc(on1)COCCF 34a_100000684692_100011217306 [0,2,0,0,0,0|1,0,0]=3 3952 B11R1.27 Cc1cc(on1)COCCN 34a_100000210304_100000707947 [0,2,0,0,0,0|1,0,0]=3 3953 B11R1.27 Cc1cc(on1)COCCO 34a_100000684692_100000211926 [0,2,0,0,0,0|1,0,0]=3 3954 B11R1.27 Cc1cc(on1)CSCCF 62a_100000707947_100011217306 [0,2,0,0,0,0|1,1,0]=4 3955 B11R1.27 Cc1cc(on1)CSCCF 62a_100011217306_100000707947 [0,2,0,0,0,0|1,1,0]=4 3956 B11R1.27 Cc1cc(on1)CSCCO 62a_100000211926_100000707947 [0,2,0,0,0,0|1,1,0]=4 3957 B11R1.27 Cc1cc(on1)CSCCO 62a_100000707947_100000211926 [0,2,0,0,0,0|1,1,0]=4 3958 B11R1.27 Cc1ccc(o1)CCNCF 34a_100000739271_100015361967 [0,2,0,0,0,0|2,0,0]=4 3959 B11R1.27 Cc1ccc(o1)CCOCF 34a_100012161071_100015361967 [0,2,0,0,0,0|1,0,0]=3 3960 B11R1.27 Cc1ccc(o1)CCOCF 7a_100012161071_100015361967 [0,2,0,0,0,0|1,0,0]=3 3961 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [0,2,0,0,0,0|1,0,1]=4 3962 B11R1.27 Cc1ccc(o1)CNCCF 34a_100011194323_100011217306 [0,2,0,0,0,0|1,0,0]=3 3963 B11R1.27 Cc1ccc(o1)CNCCO 207a_100000210304_100000183696 [0,2,0,0,0,0|1,0,0]=3 3964 B11R1.27 Cc1ccc(o1)CNCCO 270004a_100000210304_100000183696 [0,2,0,0,0,0|1,0,0]=3 3965 B11R1.27 Cc1ccc(o1)CNCCO 34a_100011194323_100000211926 [0,2,0,0,0,0|1,0,0]=3 3966 B11R1.27 Cc1ccc(o1)COCC#N 7a_100011232665_100011215382 [0,2,0,0,0,0|0,0,1]=3 3967 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [0,2,0,0,0,0|0,0,1]=3 3968 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [0,2,0,0,0,0|0,0,1]=3 3969 B11R1.27 Cc1ccc(o1)COCCF 34a_100011232665_100011217306 [0,2,0,0,0,0|0,0,0]=2 3970 B11R1.27 Cc1ccc(o1)COCCF 7a_100011232665_100011217306 [0,2,0,0,0,0|0,0,0]=2 3971 B11R1.27 Cc1ccc(o1)COCCO 34a_100011232665_100000211926 [0,2,0,0,0,0|0,0,0]=2 3972 B11R1.27 Cc1ccc(o1)COCCO 7a_100011232665_100000211926 [0,2,0,0,0,0|0,0,0]=2 3973 B11R1.27 Cc1ccc(s1)CNCCF 2230a_100000238518_100011217306 [0,2,0,0,0,0|1,1,0]=4 3974 B11R1.27 Cc1ccc(s1)CNCCO 207a_100000210304_100000211121 [0,2,0,0,0,0|1,1,0]=4 3975 B11R1.27 Cc1ccc(s1)CNCCO 2230a_100000238518_100000211926 [0,2,0,0,0,0|1,1,0]=4 3976 B11R1.27 Cc1ccc(s1)CNCCO 270004a_100000210304_100000211121 [0,2,0,0,0,0|1,1,0]=4 3977 B11R1.27 Cc1ccc(s1)COCC=O 34a_100000238367_200009817547 [0,2,0,0,0,0|0,1,1]=4 3978 B11R1.27 Cc1ccc(s1)COCCF 34a_100000238367_100011217306 [0,2,0,0,0,0|0,1,0]=3 3979 B11R1.27 Cc1ccc(s1)COCCO 34a_100000238367_100000211926 [0,2,0,0,0,0|0,1,0]=3 3980 B11R1.27 Cc1cnc(o1)CNCCF 2230a_100138411809_100011217306 [0,2,0,0,0,0|2,0,0]=4 3981 B11R1.27 Cc1cnc(o1)CNCCF 34a_100138411809_100011217306 [0,2,0,0,0,0|2,0,0]=4 3982 B11R1.27 Cc1cnc(o1)CNCCO 2230a_100138411809_100000211926 [0,2,0,0,0,0|2,0,0]=4 3983 B11R1.27 Cc1cnc(o1)CNCCO 34a_100138411809_100000211926 [0,2,0,0,0,0|2,0,0]=4 3984 B11R1.27 Cc1csc(c1)CNCCF 2230a_100015204214_100011217306 [0,2,0,0,0,0|1,1,0]=4 3985 B11R1.27 Cc1csc(c1)CNCCF 34a_100015204214_100011217306 [0,2,0,0,0,0|1,1,0]=4 3986 B11R1.27 Cc1csc(c1)CNCCO 207a_100000210304_100102525248 [0,2,0,0,0,0|1,1,0]=4 3987 B11R1.27 Cc1csc(c1)CNCCO 2230a_100015204214_100000211926 [0,2,0,0,0,0|1,1,0]=4 3988 B11R1.27 Cc1csc(c1)CNCCO 270004a_100000210304_100102525248 [0,2,0,0,0,0|1,1,0]=4 3989 B11R1.27 Cc1csc(c1)CNCCO 34a_100015204214_100000211926 [0,2,0,0,0,0|1,1,0]=4 3990 B11R1.27 Cc1csc(c1)COCC#N 7a_200000068372_100011215382 [0,2,0,0,0,0|0,1,1]=4 3991 B11R1.27 Cc1csc(c1)COCC=O 34a_200000068372_200009817547 [0,2,0,0,0,0|0,1,1]=4 3992 B11R1.27 Cc1csc(c1)COCC=O 7a_200000068372_200015260668 [0,2,0,0,0,0|0,1,1]=4 3993 B11R1.27 Cc1csc(c1)COCCF 34a_200000068372_100011217306 [0,2,0,0,0,0|0,1,0]=3 3994 B11R1.27 Cc1csc(c1)COCCF 7a_200000068372_100011217306 [0,2,0,0,0,0|0,1,0]=3 3995 B11R1.27 Cc1csc(c1)COCCO 34a_200000068372_100000211926 [0,2,0,0,0,0|0,1,0]=3 3996 B11R1.27 Cc1csc(c1)COCCO 7a_200000068372_100000211926 [0,2,0,0,0,0|0,1,0]=3 3997 B11R1.27 Cc1nc(co1)COCCF 34a_100012017233_100011217306 [0,2,0,0,0,0|2,0,0]=4 3998 B11R1.27 Cc1nc(co1)COCCO 34a_100012017233_100000211926 [0,2,0,0,0,0|2,0,0]=4 3999 B11R1.27 Cc1nc(cs1)COCCBr 34a_100000211926_100015186478 [0,2,0,0,0,0|2,0,0]=4 4000 B11R1.27 Cc1nc(cs1)COCCF 34a_100000735831_100011217306 [0,2,0,0,0,0|2,0,0]=4 4001 B11R1.27 Cc1nc(cs1)COCCN 34a_100000210304_100015186478 [0,2,0,0,0,0|2,0,0]=4 4002 B11R1.27 Cc1nc(cs1)COCCO 34a_100000735831_100000211926 [0,2,0,0,0,0|2,0,0]=4 4003 B11R1.27 Cc1ncc(o1)CNCCO 207a_100000210304_100000084308 [0,2,0,0,0,0|2,0,0]=4 4004 B11R1.27 Cc1ncc(o1)CNCCO 270004a_100000210304_100000084308 [0,2,0,0,0,0|2,0,0]=4 4005 B11R1.27 Cc1ncc(s1)COCCBr 34a_100000211926_100020635045 [0,2,0,0,0,0|1,1,0]=4 4006 B11R1.27 Cc1ncc(s1)COCCF 7a_100000743366_100011217306 [0,2,0,0,0,0|1,1,0]=4 4007 B11R1.27 Cc1ncc(s1)COCCN 34a_100000210304_100020635045 [0,2,0,0,0,0|1,1,0]=4 4008 B11R1.27 Cc1ncc(s1)COCCO 7a_100000743366_100000211926 [0,2,0,0,0,0|1,1,0]=4 4009 B11R1.27 Cc1nnc(o1)COCCF 34a_100000749586_100011217306 [0,2,0,0,0,0|2,0,0]=4 4010 B11R1.27 Cc1nnc(o1)COCCO 34a_100000749586_100000211926 [0,2,0,0,0,0|2,0,0]=4 4011 B11R1.27 Cc1noc(n1)COCCBr 34a_100000211926_100000735555 [0,2,0,0,0,0|2,0,0]=4 4012 B11R1.27 Cc1noc(n1)COCCF 34a_100000749583_100011217306 [0,2,0,0,0,0|2,0,0]=4 4013 B11R1.27 Cc1noc(n1)COCCN 34a_100000210304_100000735555 [0,2,0,0,0,0|2,0,0]=4 4014 B11R1.27 Cc1noc(n1)COCCO 270196a_100000212224_100000708028 [0,2,0,0,0,0|2,0,0]=4 4015 B11R1.27 Cc1noc(n1)COCCO 34a_100000749583_100000211926 [0,2,0,0,0,0|2,0,0]=4 4016 B11R1.27 Clc1ccc(s1)COCCBr 34a_100000211926_100000185097 [0,2,0,0,0,0|0,1,0]=3 4017 B11R1.27 Clc1nc(cs1)COCCBr 34a_100000211926_100000024076 [0,2,0,0,0,0|2,0,0]=4 4018 B11R1.27 Clc1ncc(s1)COCCBr 34a_100000211926_100000058068 [0,2,0,0,0,0|1,1,0]=4 4019 B11R1.27 Cn1ccc(n1)COCCBr 34a_100000211926_100000726502 [0,2,0,0,0,0|2,0,0]=4 4020 B11R1.27 Cn1ccc(n1)COCCF 34a_100000744484_100011217306 [0,2,0,0,0,0|2,0,0]=4 4021 B11R1.27 Cn1ccc(n1)COCCN 34a_100000210304_100000726502 [0,2,0,0,0,0|2,0,0]=4 4022 B11R1.27 Cn1ccc(n1)COCCO 34a_100000744484_100000211926 [0,2,0,0,0,0|2,0,0]=4 4023 B11R1.27 Cn1cnc(c1)COCCBr 34a_100000211926_100000717665 [0,2,0,0,0,0|2,0,0]=4 4024 B11R1.27 Cn1cnc(c1)COCCF 34a_100000710007_100011217306 [0,2,0,0,0,0|2,0,0]=4 4025 B11R1.27 Cn1cnc(c1)COCCN 34a_100000210304_100000717665 [0,2,0,0,0,0|2,0,0]=4 4026 B11R1.27 Cn1cnc(c1)COCCO 34a_100000710007_100000211926 [0,2,0,0,0,0|2,0,0]=4 4027 B11R1.27 FCCNCc1cc(cs1)Br 2230a_100000741024_100011217306 [0,2,0,0,0,0|1,1,0]=4 4028 B11R1.27 FCCNCc1cc(cs1)Br 34a_100000724931_100000746031 [0,2,0,0,0,0|1,1,0]=4 4029 B11R1.27 FCCNCc1cc(cs1)Br 34a_100000741024_100011217306 [0,2,0,0,0,0|1,1,0]=4 4030 B11R1.27 FCCNCc1cc(no1)Br 2230a_100015193020_100011217306 [0,2,0,0,0,0|2,0,0]=4 4031 B11R1.27 FCCNCc1cc(no1)Br 34a_100015193020_100011217306 [0,2,0,0,0,0|2,0,0]=4 4032 B11R1.27 FCCNCc1ccc(o1)Br 34a_100000708654_100011217306 [0,2,0,0,0,0|1,0,0]=3 4033 B11R1.27 FCCNCc1ccc(s1)Br 34a_100000724931_100000708592 [0,2,0,0,0,0|1,1,0]=4 4034 B11R1.27 FCCNCc1ccc(s1)Cl 2230a_100000737310_100011217306 [0,2,0,0,0,0|1,1,0]=4 4035 B11R1.27 FCCNCc1ccc(s1)Cl 34a_100000724931_100000185097 [0,2,0,0,0,0|1,1,0]=4 4036 B11R1.27 FCCOCc1cc(cs1)Br 34a_100000238369_100011217306 [0,2,0,0,0,0|0,1,0]=3 4037 B11R1.27 FCCOCc1cc(cs1)Br 7a_100000238369_100011217306 [0,2,0,0,0,0|0,1,0]=3 4038 B11R1.27 FCCOCc1cc(no1)Br 34a_100009816691_100011217306 [0,2,0,0,0,0|1,0,0]=3 4039 B11R1.27 FCCOCc1ccc(o1)Br 34a_100000246276_100011217306 [0,2,0,0,0,0|0,0,0]=2 4040 B11R1.27 FCCOCc1ccc(o1)Br 7a_100000246276_100011217306 [0,2,0,0,0,0|0,0,0]=2 4041 B11R1.27 FCCOCc1cnc(s1)Br 7a_100009816753_100011217306 [0,2,0,0,0,0|1,1,0]=4 4042 B11R1.27 FCCOCc1cnc(s1)Cl 7a_100000697714_100011217306 [0,2,0,0,0,0|1,1,0]=4 4043 B11R1.27 FCCOCc1csc(c1)Cl 34a_100009863405_100011217306 [0,2,0,0,0,0|2,0,0]=4 4044 B11R1.27 FCCOCc1csc(c1)Cl 7a_100009863405_100011217306 [0,2,0,0,0,0|2,0,0]=4 4045 B11R1.27 FCCOCc1nc(cs1)Br 7a_100012000107_100011217306 [0,2,0,0,0,0|1,1,0]=4 4046 B11R1.27 FCCOCn1cc(cn1)Cl 34a_100000732729_100011217306 [0,2,0,0,0,0|2,0,0]=4 4047 B11R1.27 FCCSCc1cc(cs1)Br 62a_100000746031_100011217306 [0,2,0,0,0,0|0,2,0]=4 4048 B11R1.27 FCCSCc1cc(cs1)Br 62a_100011217306_100000746031 [0,2,0,0,0,0|0,2,0]=4 4049 B11R1.27 FCCSCc1cc(no1)Br 62a_100000709089_100011217306 [0,2,0,0,0,0|1,1,0]=4 4050 B11R1.27 FCCSCc1cc(no1)Br 62a_100011217306_100000709089 [0,2,0,0,0,0|1,1,0]=4 4051 B11R1.27 FCCSCc1ccc(s1)Br 62a_100000708592_100011217306 [0,2,0,0,0,0|0,2,0]=4 4052 B11R1.27 FCCSCc1ccc(s1)Br 62a_100011217306_100000708592 [0,2,0,0,0,0|0,2,0]=4 4053 B11R1.27 FCCSCc1ccc(s1)Cl 62a_100000185097_100011217306 [0,2,0,0,0,0|0,2,0]=4 4054 B11R1.27 FCCSCc1ccc(s1)Cl 62a_100011217306_100000185097 [0,2,0,0,0,0|0,2,0]=4 4055 B11R1.27 FCOCCc1cc(no1)Br 34a_100009816916_100015361967 [0,2,0,0,0,0|2,0,0]=4 4056 B11R1.27 N#CCOCc1cc(cs1)Br 7a_100000238369_100011215382 [0,2,0,0,0,0|0,1,1]=4 4057 B11R1.27 N#CCOCc1ccc(o1)Br 7a_100000246276_100011215382 [0,2,0,0,0,0|0,0,1]=3 4058 B11R1.27 NCCOCC1=CC(=O)OC1 34a_100000210304_100000716558 [0,2,0,0,0,0|2,0,0]=4 4059 B11R1.27 NCCOCc1cc(cs1)Br 34a_100000210304_100000746031 [0,2,0,0,0,0|0,1,0]=3 4060 B11R1.27 NCCOCc1ccc(s1)Br 34a_100000210304_100000708592 [0,2,0,0,0,0|0,1,0]=3 4061 B11R1.27 NCCOCc1ccc(s1)Cl 34a_100000210304_100000185097 [0,2,0,0,0,0|0,1,0]=3 4062 B11R1.27 NCCOCc1cnc(s1)Br 34a_100000210304_100000717027 [0,2,0,0,0,0|1,1,0]=4 4063 B11R1.27 NCCOCc1cnc(s1)Cl 34a_100000210304_100000058068 [0,2,0,0,0,0|1,1,0]=4 4064 B11R1.27 NCCOCc1csc(n1)Cl 34a_100000210304_100000024076 [0,2,0,0,0,0|2,0,0]=4 4065 B11R1.27 NCCSCc1ccc(s1)O 271570a_203496583355_100000198568 [0,2,0,0,0,0|0,2,0]=4 4066 B11R1.27 Nc1ncc(s1)COCCF 7a_100011997359_100011217306 [0,2,0,0,0,0|1,1,0]=4 4067 B11R1.27 Nc1ncc(s1)COCCO 7a_100011997359_100000211926 [0,2,0,0,0,0|1,1,0]=4 4068 B11R1.27 O=C1C=C(CO1)COCCBr 34a_100000211926_100000716558 [0,2,0,0,0,0|2,0,0]=4 4069 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [0,2,0,0,0,0|1,0,1]=4 4070 B11R1.27 O=CCOCc1cc(cs1)Br 34a_100000238369_200009817547 [0,2,0,0,0,0|0,1,1]=4 4071 B11R1.27 O=CCOCc1cc(cs1)Br 7a_100000238369_200015260668 [0,2,0,0,0,0|0,1,1]=4 4072 B11R1.27 O=CCOCc1cc(no1)Br 34a_100009816691_200009817547 [0,2,0,0,0,0|1,0,1]=4 4073 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [0,2,0,0,0,0|0,0,1]=3 4074 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [0,2,0,0,0,0|0,0,1]=3 4075 B11R1.27 OCCNCc1cc(c[nH]1)Br 270004a_100000210304_100000720742 [0,2,0,0,0,0|2,0,0]=4 4076 B11R1.27 OCCNCc1cc(co1)Br 270004a_100000210304_100000747035 [0,2,0,0,0,0|1,0,0]=3 4077 B11R1.27 OCCNCc1cc(cs1)Br 207a_100000210304_100000211722 [0,2,0,0,0,0|1,1,0]=4 4078 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100000741024_100000211926 [0,2,0,0,0,0|1,1,0]=4 4079 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100016997473_100000746031 [0,2,0,0,0,0|1,1,0]=4 4080 B11R1.27 OCCNCc1cc(cs1)Br 270004a_100000210304_100000211722 [0,2,0,0,0,0|1,1,0]=4 4081 B11R1.27 OCCNCc1cc(cs1)Br 34a_100000741024_100000211926 [0,2,0,0,0,0|1,1,0]=4 4082 B11R1.27 OCCNCc1cc(cs1)Br 34a_100016990907_100000746031 [0,2,0,0,0,0|1,1,0]=4 4083 B11R1.27 OCCNCc1cc(cs1)Cl 207a_100000210304_100000102487 [0,2,0,0,0,0|1,1,0]=4 4084 B11R1.27 OCCNCc1cc(cs1)Cl 270004a_100000210304_100000102487 [0,2,0,0,0,0|1,1,0]=4 4085 B11R1.27 OCCNCc1cc(cs1)I 207a_100000210304_100010179861 [0,2,0,0,0,0|1,1,0]=4 4086 B11R1.27 OCCNCc1cc(no1)Br 2230a_100015193020_100000211926 [0,2,0,0,0,0|2,0,0]=4 4087 B11R1.27 OCCNCc1cc(no1)Br 270004a_100000210304_100009819588 [0,2,0,0,0,0|2,0,0]=4 4088 B11R1.27 OCCNCc1cc(no1)Br 34a_100015193020_100000211926 [0,2,0,0,0,0|2,0,0]=4 4089 B11R1.27 OCCNCc1ccc(o1)Br 207a_100000210304_100000185145 [0,2,0,0,0,0|1,0,0]=3 4090 B11R1.27 OCCNCc1ccc(o1)Br 270004a_100000210304_100000185145 [0,2,0,0,0,0|1,0,0]=3 4091 B11R1.27 OCCNCc1ccc(o1)Br 34a_100000708654_100000211926 [0,2,0,0,0,0|1,0,0]=3 4092 B11R1.27 OCCNCc1ccc(o1)Cl 207a_100000210304_100000188459 [0,2,0,0,0,0|1,0,0]=3 4093 B11R1.27 OCCNCc1ccc(o1)Cl 270004a_100000210304_100000188459 [0,2,0,0,0,0|1,0,0]=3 4094 B11R1.27 OCCNCc1ccc(o1)I 207a_100000210304_100000186757 [0,2,0,0,0,0|1,0,0]=3 4095 B11R1.27 OCCNCc1ccc(s1)Br 207a_100000210304_100000179771 [0,2,0,0,0,0|1,1,0]=4 4096 B11R1.27 OCCNCc1ccc(s1)Br 2230a_100016997473_100000708592 [0,2,0,0,0,0|1,1,0]=4 4097 B11R1.27 OCCNCc1ccc(s1)Br 270004a_100000210304_100000179771 [0,2,0,0,0,0|1,1,0]=4 4098 B11R1.27 OCCNCc1ccc(s1)Br 34a_100016990907_100000708592 [0,2,0,0,0,0|1,1,0]=4 4099 B11R1.27 OCCNCc1ccc(s1)Cl 207a_100000210304_100000242774 [0,2,0,0,0,0|1,1,0]=4 4100 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100000737310_100000211926 [0,2,0,0,0,0|1,1,0]=4 4101 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100016997473_100000185097 [0,2,0,0,0,0|1,1,0]=4 4102 B11R1.27 OCCNCc1ccc(s1)Cl 270004a_100000210304_100000242774 [0,2,0,0,0,0|1,1,0]=4 4103 B11R1.27 OCCNCc1ccc(s1)Cl 34a_100016990907_100000185097 [0,2,0,0,0,0|1,1,0]=4 4104 B11R1.27 OCCOCc1cc(cs1)Br 34a_100000238369_100000211926 [0,2,0,0,0,0|0,1,0]=3 4105 B11R1.27 OCCOCc1cc(cs1)Br 7a_100000238369_100000211926 [0,2,0,0,0,0|0,1,0]=3 4106 B11R1.27 OCCOCc1cc(no1)Br 34a_100009816691_100000211926 [0,2,0,0,0,0|1,0,0]=3 4107 B11R1.27 OCCOCc1ccc(o1)Br 34a_100000246276_100000211926 [0,2,0,0,0,0|0,0,0]=2 4108 B11R1.27 OCCOCc1ccc(o1)Br 7a_100000246276_100000211926 [0,2,0,0,0,0|0,0,0]=2 4109 B11R1.27 OCCOCc1cnc(s1)Br 7a_100009816753_100000211926 [0,2,0,0,0,0|1,1,0]=4 4110 B11R1.27 OCCOCc1cnc(s1)Cl 7a_100000697714_100000211926 [0,2,0,0,0,0|1,1,0]=4 4111 B11R1.27 OCCOCc1csc(c1)Cl 34a_100009863405_100000211926 [0,2,0,0,0,0|2,0,0]=4 4112 B11R1.27 OCCOCc1csc(c1)Cl 7a_100009863405_100000211926 [0,2,0,0,0,0|2,0,0]=4 4113 B11R1.27 OCCOCc1nc(cs1)Br 7a_100012000107_100000211926 [0,2,0,0,0,0|1,1,0]=4 4114 B11R1.27 OCCOCn1cc(cn1)Cl 34a_100000732729_100000211926 [0,2,0,0,0,0|2,0,0]=4 4115 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000211926_100000746031 [0,2,0,0,0,0|0,2,0]=4 4116 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000746031_100000211926 [0,2,0,0,0,0|0,2,0]=4 4117 B11R1.27 OCCSCc1cc(no1)Br 62a_100000211926_100000709089 [0,2,0,0,0,0|1,1,0]=4 4118 B11R1.27 OCCSCc1cc(no1)Br 62a_100000709089_100000211926 [0,2,0,0,0,0|1,1,0]=4 4119 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000211926_100000708592 [0,2,0,0,0,0|0,2,0]=4 4120 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000708592_100000211926 [0,2,0,0,0,0|0,2,0]=4 4121 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000185097_100000211926 [0,2,0,0,0,0|0,2,0]=4 4122 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000211926_100000185097 [0,2,0,0,0,0|0,2,0]=4 4123 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,2,0,0,0,0|1,1,0]=4 4124 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,2,0,0,0,0|1,1,0]=4 4125 B11R1.39 CCC(=O)Cc1cc(no1)Br 1458a_100000210414_100000709089 [0,2,0,0,0,0|2,0,0]=4 4126 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210202 [0,2,0,0,0,0|2,0,0]=4 4127 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000210414_100000707947 [0,2,0,0,0,0|2,0,0]=4 4128 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,2,0,0,0,0|1,1,0]=4 4129 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,2,0,0,0,0|1,1,0]=4 4130 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,2,0,0,0,0|1,1,0]=4 4131 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,2,0,0,0,0|1,1,0]=4 4132 B11R1.39 CCN(C)Cc1cc(cs1)Br 2230a_100000207611_100000210202 [0,2,0,0,0,0|1,1,0]=4 4133 B11R1.39 CCN(C)Cc1cc(cs1)Br 2230a_100000225621_100000746031 [0,2,0,0,0,0|1,1,0]=4 4134 B11R1.39 CCN(C)Cc1cc(cs1)Br 269982a_100000207611_100000204670 [0,2,0,0,0,0|1,1,0]=4 4135 B11R1.39 CCN(C)Cc1cc(cs1)Br 269982a_100000225621_100000746031 [0,2,0,0,0,0|1,1,0]=4 4136 B11R1.39 CCN(C)Cc1cc(cs1)C 2230a_100011502060_100000210202 [0,2,0,0,0,0|1,1,0]=4 4137 B11R1.39 CCN(C)Cc1cc(cs1)C 269982a_100011502060_100000204670 [0,2,0,0,0,0|1,1,0]=4 4138 B11R1.39 CCN(C)Cc1cc(no1)Br 269982a_100000225621_100000709089 [0,2,0,0,0,0|2,0,0]=4 4139 B11R1.39 CCN(C)Cc1cc(no1)C 2230a_100000225621_100000707947 [0,2,0,0,0,0|2,0,0]=4 4140 B11R1.39 CCN(C)Cc1cc(no1)C 269982a_100000225621_100000707947 [0,2,0,0,0,0|2,0,0]=4 4141 B11R1.39 CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210202 [0,2,0,0,0,0|1,0,0]=3 4142 B11R1.39 CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000204670 [0,2,0,0,0,0|1,0,0]=3 4143 B11R1.39 CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210202 [0,2,0,0,0,0|1,0,0]=3 4144 B11R1.39 CCN(C)Cc1ccc(o1)C 2230a_200015183256_200000210301 [0,2,0,0,0,0|1,0,0]=3 4145 B11R1.39 CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000204670 [0,2,0,0,0,0|1,0,0]=3 4146 B11R1.39 CCN(C)Cc1ccc(o1)C 269982a_200015183256_200000210301 [0,2,0,0,0,0|1,0,0]=3 4147 B11R1.39 CCN(C)Cc1ccc(o1)C 34a_100000184526_100000210202 [0,2,0,0,0,0|1,0,0]=3 4148 B11R1.39 CCN(C)Cc1ccc(s1)Br 2230a_100000225621_100000708592 [0,2,0,0,0,0|1,1,0]=4 4149 B11R1.39 CCN(C)Cc1ccc(s1)Br 269982a_100000225621_100000708592 [0,2,0,0,0,0|1,1,0]=4 4150 B11R1.39 CCN(C)Cc1ccc(s1)C 2230a_100000751125_100000210202 [0,2,0,0,0,0|1,1,0]=4 4151 B11R1.39 CCN(C)Cc1ccc(s1)C 269982a_100000751125_100000204670 [0,2,0,0,0,0|1,1,0]=4 4152 B11R1.39 CCN(C)Cc1ccc(s1)Cl 2230a_100000225621_100000185097 [0,2,0,0,0,0|1,1,0]=4 4153 B11R1.39 CCN(C)Cc1ccc(s1)Cl 269982a_100000225621_100000185097 [0,2,0,0,0,0|1,1,0]=4 4154 B11R1.39 CCN([13CH3])Cc1ccc(o1)C 2230a_200015183256_200025704644 [0,2,0,0,0,0|1,0,0]=3 4155 B11R1.39 CCN([13CH3])Cc1ccc(o1)C 269982a_200015183256_200025704644 [0,2,0,0,0,0|1,0,0]=3 4156 B11R1.39 CN(CF)Cc1ccc(o1)Br 269982a_100000207588_100015361967 [0,2,0,0,0,0|2,0,0]=4 4157 B11R1.39 Cc1ccc(o1)CN(C)CF 269982a_100000184526_100015361967 [0,2,0,0,0,0|2,0,0]=4 4158 B11R1.39 Cc1ccc(o1)CN(C)CF 34a_100000184526_100015361967 [0,2,0,0,0,0|2,0,0]=4 4159 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 4160 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 4161 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,2,0,0,0,0|1,0,1]=4 4162 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,2,0,0,0,0|1,0,1]=4 4163 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 4164 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 4165 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,2,0,0,0,0|1,0,1]=4 4166 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,2,0,0,0,0|1,0,1]=4 4167 B11R1.75 CC(C)NCc1cc(cs1)Br 207a_100138425928_100000211722 [0,2,0,0,0,0|1,1,0]=4 4168 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100000741024_100000210206 [0,2,0,0,0,0|1,1,0]=4 4169 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100138425928_100000746031 [0,2,0,0,0,0|1,1,0]=4 4170 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100000741024_100000210206 [0,2,0,0,0,0|1,1,0]=4 4171 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100138425928_100000746031 [0,2,0,0,0,0|1,1,0]=4 4172 B11R1.75 CC(C)NCc1cc(cs1)Cl 207a_100138425928_100000102487 [0,2,0,0,0,0|1,1,0]=4 4173 B11R1.75 CC(C)NCc1cc(cs1)I 207a_100138425928_100010179861 [0,2,0,0,0,0|1,1,0]=4 4174 B11R1.75 CC(C)NCc1cc(no1)Br 2230a_100015193020_100000210206 [0,2,0,0,0,0|2,0,0]=4 4175 B11R1.75 CC(C)NCc1cc(no1)Br 34a_100015193020_100000210206 [0,2,0,0,0,0|2,0,0]=4 4176 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [0,2,0,0,0,0|1,0,0]=3 4177 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [0,2,0,0,0,0|1,0,0]=3 4178 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [0,2,0,0,0,0|1,0,0]=3 4179 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [0,2,0,0,0,0|1,0,0]=3 4180 B11R1.75 CC(C)NCc1ccc(s1)Br 207a_100138425928_100000179771 [0,2,0,0,0,0|1,1,0]=4 4181 B11R1.75 CC(C)NCc1ccc(s1)Br 2230a_100138425928_100000708592 [0,2,0,0,0,0|1,1,0]=4 4182 B11R1.75 CC(C)NCc1ccc(s1)Br 34a_100138425928_100000708592 [0,2,0,0,0,0|1,1,0]=4 4183 B11R1.75 CC(C)NCc1ccc(s1)Cl 207a_100138425928_100000242774 [0,2,0,0,0,0|1,1,0]=4 4184 B11R1.75 CC(C)NCc1ccc(s1)Cl 2230a_100000737310_100000210206 [0,2,0,0,0,0|1,1,0]=4 4185 B11R1.75 CC(C)NCc1ccc(s1)Cl 2230a_100138425928_100000185097 [0,2,0,0,0,0|1,1,0]=4 4186 B11R1.75 CC(C)NCc1ccc(s1)Cl 34a_100138425928_100000185097 [0,2,0,0,0,0|1,1,0]=4 4187 B11R1.75 CC(C)OCC1=CC(=O)OC1 34a_100000212225_100000716558 [0,2,0,0,0,0|2,0,0]=4 4188 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000212225_100000746031 [0,2,0,0,0,0|0,1,0]=3 4189 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000238369_100000210206 [0,2,0,0,0,0|0,1,0]=3 4190 B11R1.75 CC(C)OCc1cc(cs1)Br 7a_100000238369_100000210206 [0,2,0,0,0,0|0,1,0]=3 4191 B11R1.75 CC(C)OCc1cc(no1)Br 34a_100009816691_100000210206 [0,2,0,0,0,0|1,0,0]=3 4192 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [0,2,0,0,0,0|0,0,0]=2 4193 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [0,2,0,0,0,0|0,0,0]=2 4194 B11R1.75 CC(C)OCc1ccc(s1)Br 34a_100000212225_100000708592 [0,2,0,0,0,0|0,1,0]=3 4195 B11R1.75 CC(C)OCc1ccc(s1)Cl 34a_100000212225_100000185097 [0,2,0,0,0,0|0,1,0]=3 4196 B11R1.75 CC(C)OCc1ccn(n1)C 34a_100000212225_100000726502 [0,2,0,0,0,0|2,0,0]=4 4197 B11R1.75 CC(C)OCc1ccn(n1)C 34a_100000744484_100000210206 [0,2,0,0,0,0|2,0,0]=4 4198 B11R1.75 CC(C)OCc1cn(cn1)C 34a_100000212225_100000717665 [0,2,0,0,0,0|2,0,0]=4 4199 B11R1.75 CC(C)OCc1cn(cn1)C 34a_100000710007_100000210206 [0,2,0,0,0,0|2,0,0]=4 4200 B11R1.75 CC(C)OCc1cnc(s1)Br 34a_100000212225_100000717027 [0,2,0,0,0,0|1,1,0]=4 4201 B11R1.75 CC(C)OCc1cnc(s1)Br 7a_100009816753_100000210206 [0,2,0,0,0,0|1,1,0]=4 4202 B11R1.75 CC(C)OCc1cnc(s1)Cl 34a_100000212225_100000058068 [0,2,0,0,0,0|1,1,0]=4 4203 B11R1.75 CC(C)OCc1cnc(s1)Cl 7a_100000697714_100000210206 [0,2,0,0,0,0|1,1,0]=4 4204 B11R1.75 CC(C)OCc1cnc(s1)N 7a_100011997359_100000210206 [0,2,0,0,0,0|1,1,0]=4 4205 B11R1.75 CC(C)OCc1csc(c1)Cl 34a_100009863405_100000210206 [0,2,0,0,0,0|2,0,0]=4 4206 B11R1.75 CC(C)OCc1csc(c1)Cl 7a_100009863405_100000210206 [0,2,0,0,0,0|2,0,0]=4 4207 B11R1.75 CC(C)OCc1csc(n1)Cl 34a_100000212225_100000024076 [0,2,0,0,0,0|2,0,0]=4 4208 B11R1.75 CC(C)OCc1nc(cs1)Br 7a_100012000107_100000210206 [0,2,0,0,0,0|1,1,0]=4 4209 B11R1.75 CC(C)OCn1cc(cn1)Cl 34a_100000732729_100000210206 [0,2,0,0,0,0|2,0,0]=4 4210 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000210206_100000746031 [0,2,0,0,0,0|0,2,0]=4 4211 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000746031_100000210206 [0,2,0,0,0,0|0,2,0]=4 4212 B11R1.75 CC(C)SCc1cc(no1)Br 62a_100000210206_100000709089 [0,2,0,0,0,0|1,1,0]=4 4213 B11R1.75 CC(C)SCc1cc(no1)Br 62a_100000709089_100000210206 [0,2,0,0,0,0|1,1,0]=4 4214 B11R1.75 CC(C)SCc1ccc(s1)Br 62a_100000210206_100000708592 [0,2,0,0,0,0|0,2,0]=4 4215 B11R1.75 CC(C)SCc1ccc(s1)Br 62a_100000708592_100000210206 [0,2,0,0,0,0|0,2,0]=4 4216 B11R1.75 CC(C)SCc1ccc(s1)Cl 62a_100000185097_100000210206 [0,2,0,0,0,0|0,2,0]=4 4217 B11R1.75 CC(C)SCc1ccc(s1)Cl 62a_100000210206_100000185097 [0,2,0,0,0,0|0,2,0]=4 4218 B11R1.75 Cc1cc(no1)COC(C)C 34a_100000212225_100000199038 [0,2,0,0,0,0|2,0,0]=4 4219 B11R1.75 Cc1cc(no1)COC(C)C 34a_100011216401_100000210206 [0,2,0,0,0,0|2,0,0]=4 4220 B11R1.75 Cc1cc(on1)CNC(C)C 207a_100138425928_100011794430 [0,2,0,0,0,0|2,0,0]=4 4221 B11R1.75 Cc1cc(on1)CNC(C)C 2230a_100000745748_100000210206 [0,2,0,0,0,0|2,0,0]=4 4222 B11R1.75 Cc1cc(on1)CNC(C)C 2230a_100138425928_100000707947 [0,2,0,0,0,0|2,0,0]=4 4223 B11R1.75 Cc1cc(on1)CNC(C)C 34a_100000745748_100000210206 [0,2,0,0,0,0|2,0,0]=4 4224 B11R1.75 Cc1cc(on1)CNC(C)C 34a_100138425928_100000707947 [0,2,0,0,0,0|2,0,0]=4 4225 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000212225_100000707947 [0,2,0,0,0,0|1,0,0]=3 4226 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000684692_100000210206 [0,2,0,0,0,0|1,0,0]=3 4227 B11R1.75 Cc1cc(on1)CSC(C)C 62a_100000210206_100000707947 [0,2,0,0,0,0|1,1,0]=4 4228 B11R1.75 Cc1cc(on1)CSC(C)C 62a_100000707947_100000210206 [0,2,0,0,0,0|1,1,0]=4 4229 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,2,0,0,0,0|1,0,0]=3 4230 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,2,0,0,0,0|1,0,0]=3 4231 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,2,0,0,0,0|0,0,0]=2 4232 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,2,0,0,0,0|0,0,0]=2 4233 B11R1.75 Cc1ccc(s1)CNC(C)C 207a_100138425928_100000211121 [0,2,0,0,0,0|1,1,0]=4 4234 B11R1.75 Cc1ccc(s1)CNC(C)C 2230a_100000238518_100000210206 [0,2,0,0,0,0|1,1,0]=4 4235 B11R1.75 Cc1ccc(s1)COC(C)C 34a_100000238367_100000210206 [0,2,0,0,0,0|0,1,0]=3 4236 B11R1.75 Cc1cnc(o1)CNC(C)C 2230a_100138411809_100000210206 [0,2,0,0,0,0|2,0,0]=4 4237 B11R1.75 Cc1cnc(o1)CNC(C)C 34a_100138411809_100000210206 [0,2,0,0,0,0|2,0,0]=4 4238 B11R1.75 Cc1csc(c1)CNC(C)C 207a_100138425928_100102525248 [0,2,0,0,0,0|1,1,0]=4 4239 B11R1.75 Cc1csc(c1)CNC(C)C 2230a_100015204214_100000210206 [0,2,0,0,0,0|1,1,0]=4 4240 B11R1.75 Cc1csc(c1)CNC(C)C 34a_100015204214_100000210206 [0,2,0,0,0,0|1,1,0]=4 4241 B11R1.75 Cc1csc(c1)COC(C)C 34a_200000068372_100000210206 [0,2,0,0,0,0|0,1,0]=3 4242 B11R1.75 Cc1csc(c1)COC(C)C 7a_200000068372_100000210206 [0,2,0,0,0,0|0,1,0]=3 4243 B11R1.75 Cc1nc(co1)COC(C)C 34a_100012017233_100000210206 [0,2,0,0,0,0|2,0,0]=4 4244 B11R1.75 Cc1nc(cs1)COC(C)C 34a_100000212225_100015186478 [0,2,0,0,0,0|2,0,0]=4 4245 B11R1.75 Cc1nc(cs1)COC(C)C 34a_100000735831_100000210206 [0,2,0,0,0,0|2,0,0]=4 4246 B11R1.75 Cc1ncc(o1)CNC(C)C 207a_100138425928_100000084308 [0,2,0,0,0,0|2,0,0]=4 4247 B11R1.75 Cc1ncc(s1)COC(C)C 34a_100000212225_100020635045 [0,2,0,0,0,0|1,1,0]=4 4248 B11R1.75 Cc1ncc(s1)COC(C)C 7a_100000743366_100000210206 [0,2,0,0,0,0|1,1,0]=4 4249 B11R1.75 Cc1nnc(o1)COC(C)C 34a_100000749586_100000210206 [0,2,0,0,0,0|2,0,0]=4 4250 B11R1.75 Cc1noc(n1)COC(C)C 270196a_100000212224_100000745533 [0,2,0,0,0,0|2,0,0]=4 4251 B11R1.75 Cc1noc(n1)COC(C)C 34a_100000212225_100000735555 [0,2,0,0,0,0|2,0,0]=4 4252 B11R1.75 Cc1noc(n1)COC(C)C 34a_100000749583_100000210206 [0,2,0,0,0,0|2,0,0]=4 4253 B11R1.212 CCNCc1ccc(n1C)C 34a_100000744627_100000210202 [0,2,0,0,0,0|2,0,0]=4 4254 B11R1.212 CCNCc1scc(c1Br)Br 207a_100015525214_100012354027 [0,2,0,0,0,0|1,1,0]=4 4255 B11R1.212 CCOCc1ncc(n1C)Br 7a_100009817024_100000210202 [0,2,0,0,0,0|2,0,0]=4 4256 B11R1.212 CCOCc1ncc(n1C)Cl 34a_100000747643_100000210202 [0,2,0,0,0,0|2,0,0]=4 4257 B11R1.212 CCOCc1ncc(n1C)Cl 7a_100000747643_100000210202 [0,2,0,0,0,0|2,0,0]=4 4258 B11R1.214 C=Cc1csc(c1)COCC 271570a_100011290941_100011542529 [0,2,0,0,0,0|0,1,0]=3 4259 B11R1.214 CCCCc1cc(c[nH]1)C=O 271570a_100020621405_100009882863 [0,2,0,0,0,0|2,0,0]=4 4260 B11R1.214 CCCCc1cc(cs1)C=O 271570a_100020621405_100000737087 [0,2,0,0,0,0|1,1,0]=4 4261 B11R1.214 CCCCc1ccc(o1)C#N 271570a_100020621405_100000764468 [0,2,0,0,0,0|1,0,0]=3 4262 B11R1.214 CCCCc1ccc(o1)C=O 271570a_100020621405_100000185145 [0,2,0,0,0,0|1,0,0]=3 4263 B11R1.214 CCCCc1ccc(o1)CN 271570a_100020621405_100000708654 [0,2,0,0,0,0|1,0,0]=3 4264 B11R1.214 CCCCc1ccc(o1)CO 271570a_100020621405_100000246276 [0,2,0,0,0,0|1,0,0]=3 4265 B11R1.214 CCCCc1ccc(s1)C#N 271570a_100020621405_100000737243 [0,2,0,0,0,0|1,1,0]=4 4266 B11R1.214 CCCCc1ccc(s1)C=O 271570a_100020621405_100000179771 [0,2,0,0,0,0|1,1,0]=4 4267 B11R1.214 CCCCc1ccc(s1)CC 271570a_100020621405_100009844052 [0,2,0,0,0,0|1,1,0]=4 4268 B11R1.214 CCCCc1ccc(s1)CN 271570a_100020621405_100000737305 [0,2,0,0,0,0|1,1,0]=4 4269 B11R1.214 CCCCc1ccc(s1)CO 271570a_100020621405_100000246291 [0,2,0,0,0,0|1,1,0]=4 4270 B11R1.214 CCCSc1ccc(o1)C#N 62a_100000210303_100000764468 [0,2,0,0,0,0|2,0,0]=4 4271 B11R1.214 CCCSc1ccc(o1)C=O 62a_100000210303_100000186757 [0,2,0,0,0,0|2,0,0]=4 4272 B11R1.214 CCCSc1ccc(o1)CN 62a_100000210303_100000708654 [0,2,0,0,0,0|2,0,0]=4 4273 B11R1.214 CCCSc1ccc(o1)CO 62a_100000210303_100000246276 [0,2,0,0,0,0|2,0,0]=4 4274 B11R1.214 CCCSc1ccc(o1)CO 62a_100000246276_100000210303 [0,2,0,0,0,0|2,0,0]=4 4275 B11R1.214 CCNCc1cc(no1)CC 207a_100015525214_100000118199 [0,2,0,0,0,0|2,0,0]=4 4276 B11R1.214 CCNCc1cc(no1)CC 2230a_100015525214_100012000519 [0,2,0,0,0,0|2,0,0]=4 4277 B11R1.214 CCNCc1cc(no1)CC 270004a_100015525214_100000118199 [0,2,0,0,0,0|2,0,0]=4 4278 B11R1.214 CCNCc1ccc(o1)C#N 2230a_100015525214_100009822536 [0,2,0,0,0,0|1,0,0]=3 4279 B11R1.214 CCNCc1ccc(o1)C=O 2230a_100015525214_200000079136 [0,2,0,0,0,0|1,0,0]=3 4280 B11R1.214 CCNCc1ccc(o1)CC 207a_100015525214_100000743199 [0,2,0,0,0,0|1,0,0]=3 4281 B11R1.214 CCNCc1ccc(o1)CC 270004a_100015525214_100000743199 [0,2,0,0,0,0|1,0,0]=3 4282 B11R1.214 CCNCc1ccc(o1)CO 207a_100015525214_100000758743 [0,2,0,0,0,0|1,0,0]=3 4283 B11R1.214 CCNCc1ccc(o1)CO 270004a_100015525214_100000758743 [0,2,0,0,0,0|1,0,0]=3 4284 B11R1.214 CCNCc1ccc(s1)C#N 207a_100015525214_100000091605 [0,2,0,0,0,0|1,1,0]=4 4285 B11R1.214 CCNCc1ccc(s1)C#N 2230a_100015525214_100010188212 [0,2,0,0,0,0|1,1,0]=4 4286 B11R1.214 CCNCc1ccc(s1)CC 207a_100015525214_100000746206 [0,2,0,0,0,0|1,1,0]=4 4287 B11R1.214 CCNCc1ccc(s1)CC 270004a_100015525214_100000746206 [0,2,0,0,0,0|1,1,0]=4 4288 B11R1.214 CCNCc1ccc(s1)SC 207a_100015525214_100000720245 [0,2,0,0,0,0|1,1,0]=4 4289 B11R1.214 CCNCc1ccc(s1)SC 270004a_100015525214_100000720245 [0,2,0,0,0,0|1,1,0]=4 4290 B11R1.214 CCOCc1cc(cs1)SC 62a_100011542529_200000210301 [0,2,0,0,0,0|0,1,0]=3 4291 B11R1.214 CCOCc1cc(cs1)SC 62a_200000210301_100011542529 [0,2,0,0,0,0|0,1,0]=3 4292 B11R1.214 CCOCc1cc(cs1)S[13CH3] 62a_100011542529_200025704644 [0,2,0,0,0,0|0,1,0]=3 4293 B11R1.214 CCOCc1cc(cs1)S[13CH3] 62a_200025704644_100011542529 [0,2,0,0,0,0|0,1,0]=3 4294 B11R1.214 CCOCc1cc(no1)CC 34a_100012002152_100000210202 [0,2,0,0,0,0|1,0,0]=3 4295 B11R1.214 CCOCc1cc(no1)CC 34a_100121572206_100012000519 [0,2,0,0,0,0|1,0,0]=3 4296 B11R1.214 CCOCc1ccc(o1)C#N 34a_100121572206_100009822536 [0,2,0,0,0,0|0,0,0]=2 4297 B11R1.214 CCOCc1ccc(o1)C=O 34a_100121572206_200000079136 [0,2,0,0,0,0|0,0,0]=2 4298 B11R1.214 CCOCc1ccc(s1)C#N 34a_100121572206_100010188212 [0,2,0,0,0,0|0,1,0]=3 4299 B11R1.214 CCOCc1ccn(n1)CC 34a_100121572206_100000094151 [0,2,0,0,0,0|2,0,0]=4 4300 B11R1.214 CCOCc1csc(c1)C=O 34a_100121572206_100000070824 [0,2,0,0,0,0|2,0,0]=4 4301 B11R1.214 CCOCc1csc(n1)CC 34a_100121572206_100020603300 [0,2,0,0,0,0|2,0,0]=4 4302 B11R1.214 CCOCc1csc(n1)CC 7a_100000753294_100000210202 [0,2,0,0,0,0|2,0,0]=4 4303 B11R1.214 CCOCc1nc(no1)CC 270196a_200000212204_100000211967 [0,2,0,0,0,0|2,0,0]=4 4304 B11R1.214 CCOCc1nc(no1)CC 34a_100121572206_100000735704 [0,2,0,0,0,0|2,0,0]=4 4305 B11R1.214 CCOCc1nc(no1)CF 270196a_200000032654_100000211967 [0,2,0,0,0,0|2,0,0]=4 4306 B11R1.214 CCSCc1cc(no1)CC 62a_100000210202_100012000519 [0,2,0,0,0,0|1,1,0]=4 4307 B11R1.214 CCSCc1cc(no1)CC 62a_100012000519_100000210202 [0,2,0,0,0,0|1,1,0]=4 4308 B11R1.214 CCSCc1ccc(o1)C#N 62a_100000210202_100009822536 [0,2,0,0,0,0|0,1,0]=3 4309 B11R1.214 CCSCc1ccc(o1)C=O 62a_100000210202_200000079136 [0,2,0,0,0,0|0,1,0]=3 4310 B11R1.214 CCSCc1ccc(s1)C#N 62a_100000210202_100010188212 [0,2,0,0,0,0|0,2,0]=4 4311 B11R1.214 CCc1cc(on1)COCF 34a_100012002152_100015361967 [0,2,0,0,0,0|2,0,0]=4 4312 B11R1.214 N#Cc1ccc(o1)CSCF 62a_100015361967_100009822536 [0,2,0,0,0,0|1,1,0]=4 4313 B11R1.214 O=Cc1ccc(o1)CSCF 62a_100015361967_200000079136 [0,2,0,0,0,0|1,1,0]=4 4314 B11R1.230 CCCCc1sc(cc1C)C 271570a_100020621405_100000689295 [0,2,0,0,0,0|1,1,0]=4 4315 B11R1.230 CCNCc1oc(nc1C)C 207a_100015525214_100000734261 [0,2,0,0,0,0|2,0,0]=4 4316 B11R1.230 CCNCc1sc(cc1Br)C 207a_100015525214_100011361552 [0,2,0,0,0,0|1,1,0]=4 4317 B11R1.230 CCNCc1sc(cc1Br)C 270004a_100015525214_100011361552 [0,2,0,0,0,0|1,1,0]=4 4318 B11R1.230 CCNCc1sc(cc1Br)Cl 207a_100015525214_100021366026 [0,2,0,0,0,0|1,1,0]=4 4319 B11R1.230 CCNCc1sc(cc1Br)Cl 270004a_100015525214_100021366026 [0,2,0,0,0,0|1,1,0]=4 4320 B11R1.230 CCNCc1sc(cc1C)Br 207a_100015525214_100010221198 [0,2,0,0,0,0|1,1,0]=4 4321 B11R1.230 CCNCc1sc(cc1C)Br 270004a_100015525214_100010221198 [0,2,0,0,0,0|1,1,0]=4 4322 B11R1.230 CCNCc1sc(cc1Cl)Br 207a_100015525214_100015463987 [0,2,0,0,0,0|1,1,0]=4 4323 B11R1.230 CCNCc1sc(cc1Cl)Br 270004a_100015525214_100015463987 [0,2,0,0,0,0|1,1,0]=4 4324 B11R1.230 CCOCc1cc(nn1C)C 34a_100000243219_100000210202 [0,2,0,0,0,0|2,0,0]=4 4325 B11R1.230 CCOCc1cc(nn1C)C 34a_100121572206_100025716357 [0,2,0,0,0,0|2,0,0]=4 4326 B11R1.230 CCOCc1cc(oc1C)C 34a_100000688432_100000210202 [0,2,0,0,0,0|2,0,0]=4 4327 B11R1.230 CCOCc1cc(oc1C)C 7a_100000688432_100000210202 [0,2,0,0,0,0|2,0,0]=4 4328 B11R1.230 CCOCc1nc(oc1C)C 34a_100000068805_100000210202 [0,2,0,0,0,0|2,0,0]=4 4329 B11R1.230 CCOCc1nc(oc1C)C 7a_100000068805_100000210202 [0,2,0,0,0,0|2,0,0]=4 4330 B11R1.230 CCOCc1nc(sc1C)Br 7a_100010127906_100000210202 [0,2,0,0,0,0|2,0,0]=4 4331 B11R1.230 CCOCc1nn(cc1Br)C 34a_100009816719_100000210202 [0,2,0,0,0,0|2,0,0]=4 4332 B11R1.230 CCOCc1nn(cc1Br)C 34a_100121572206_100009817083 [0,2,0,0,0,0|2,0,0]=4 4333 B11R1.230 CCOCc1sc(nc1Br)Br 7a_100010218989_100000210202 [0,2,0,0,0,0|1,1,0]=4 4334 B11R1.230 CCOCc1sc(nc1Br)C 34a_100121572206_100015664652 [0,2,0,0,0,0|1,1,0]=4 4335 B11R1.230 CCOCc1sc(nc1C)Br 7a_100010264302_100000210202 [0,2,0,0,0,0|1,1,0]=4 4336 B11R1.230 CCOCc1sc(nc1C)C 34a_100000750043_100000210202 [0,2,0,0,0,0|1,1,0]=4 4337 B11R1.230 CCOCc1sc(nc1C)C 34a_100121572206_100000760948 [0,2,0,0,0,0|1,1,0]=4 4338 B11R1.230 CCOCc1sc(nc1C)C 7a_100000750043_100000210202 [0,2,0,0,0,0|1,1,0]=4 4339 B11R1.230 CCOCc1sc(nc1Cl)Cl 7a_100000721200_100000210202 [0,2,0,0,0,0|1,1,0]=4 4340 B11R1.230 CCOCn1nc(cc1C)C 34a_100000032810_100000210202 [0,2,0,0,0,0|2,0,0]=4 4341 B11R1.230 CCOCn1nc(cc1C)C 7a_100000032810_100000210202 [0,2,0,0,0,0|2,0,0]=4 4342 B11R1.230 CCSCc1oc(=O)oc1C 62a_100000210202_100000068490 [0,2,0,0,0,0|1,1,0]=4 4343 B11R1.231 CCCCc1cc(c(s1)C)C 271570a_100020621405_100009850898 [0,2,0,0,0,0|1,1,0]=4 4344 B11R1.231 CCNCc1cc(c(o1)Br)Br 207a_100015525214_100000188521 [0,2,0,0,0,0|1,0,0]=3 4345 B11R1.231 CCNCc1cc(c(o1)Br)Br 270004a_100015525214_100000188521 [0,2,0,0,0,0|1,0,0]=3 4346 B11R1.231 CCNCc1cc(c(s1)Br)Br 207a_100015525214_100000763650 [0,2,0,0,0,0|1,1,0]=4 4347 B11R1.231 CCNCc1cc(c(s1)Br)Br 270004a_100015525214_100000763650 [0,2,0,0,0,0|1,1,0]=4 4348 B11R1.231 CCNCc1cc(c(s1)Br)C 207a_100015525214_100000761930 [0,2,0,0,0,0|1,1,0]=4 4349 B11R1.231 CCNCc1cc(c(s1)Br)C 270004a_100015525214_100000761930 [0,2,0,0,0,0|1,1,0]=4 4350 B11R1.231 CCNCc1cc(c(s1)C)Br 207a_100015525214_100000708457 [0,2,0,0,0,0|1,1,0]=4 4351 B11R1.231 CCNCc1cc(c(s1)C)Br 270004a_100015525214_100000708457 [0,2,0,0,0,0|1,1,0]=4 4352 B11R1.231 CCNCc1cc(c(s1)C)C 207a_100015525214_100011830369 [0,2,0,0,0,0|1,1,0]=4 4353 B11R1.231 CCNCc1cc(c(s1)C)C 270004a_100015525214_100011830369 [0,2,0,0,0,0|1,1,0]=4 4354 B11R1.231 CCOCc1cc(n(n1)C)C 34a_100011219459_100000210202 [0,2,0,0,0,0|2,0,0]=4 4355 B11R1.231 CCOCc1cc(n(n1)C)C 34a_100121572206_100000761402 [0,2,0,0,0,0|2,0,0]=4 4356 B11R1.231 CCOCc1nc(c(s1)C)C 34a_100121572206_100012347604 [0,2,0,0,0,0|1,1,0]=4 4357 B11R1.231 CCOCc1nc(c(s1)C)C 7a_100000760949_100000210202 [0,2,0,0,0,0|1,1,0]=4 4358 B11R1.4 BrCCCOCc1c[nH]cn1 34a_100011217188_100000707719 [0,2,0,0,0,0|2,0,0]=4 4359 B11R1.4 BrCCCOCc1ccn[nH]1 34a_100011217188_100000728653 [0,2,0,0,0,0|2,0,0]=4 4360 B11R1.4 BrCCCOCc1ccon1 34a_100011217188_100000234950 [0,2,0,0,0,0|2,0,0]=4 4361 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,2,0,0,0,0|2,0,0]=4 4362 B11R1.4 BrCCCOCc1cncs1 34a_100011217188_100015185245 [0,2,0,0,0,0|1,1,0]=4 4363 B11R1.4 BrCCCOCc1cscn1 34a_100011217188_100000205941 [0,2,0,0,0,0|2,0,0]=4 4364 B11R1.4 BrCCCOCc1ncc[nH]1 34a_100011217188_100016991755 [0,2,0,0,0,0|2,0,0]=4 4365 B11R1.4 BrCCCOCc1ncco1 34a_100011217188_103436540062 [0,2,0,0,0,0|1,0,0]=3 4366 B11R1.4 BrCCCOCc1nccs1 34a_100011217188_100015184050 [0,2,0,0,0,0|1,1,0]=4 4367 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,2,0,0,0,0|0,1,0]=3 4368 B11R1.4 BrCCOCCn1cccn1 34a_100000211926_100015204718 [0,2,0,0,0,0|2,0,0]=4 4369 B11R1.4 C#CCCCSc1ccco1 62a_100009814098_100011215417 [0,2,0,0,0,0|1,0,1]=4 4370 B11R1.4 C#CCCCSc1ccco1 62a_100011215417_100009814098 [0,2,0,0,0,0|1,0,1]=4 4371 B11R1.4 C#CCCNCc1ccco1 2230a_100000185738_100000688953 [0,2,0,0,0,0|1,0,0]=3 4372 B11R1.4 C#CCCNCc1ccco1 34a_100000185738_100000688953 [0,2,0,0,0,0|1,0,0]=3 4373 B11R1.4 C#CCCNCc1cccs1 2230a_100000211653_100000688953 [0,2,0,0,0,0|1,1,0]=4 4374 B11R1.4 C#CCCNCc1ncco1 2230a_100016994969_100000688953 [0,2,0,0,0,0|2,0,0]=4 4375 B11R1.4 C#CCCNCc1ncco1 34a_100000755551_103436540062 [0,2,0,0,0,0|2,0,0]=4 4376 B11R1.4 C#CCCOCc1c[nH]cn1 34a_100011215631_100000707719 [0,2,0,0,0,0|2,0,0]=4 4377 B11R1.4 C#CCCOCc1ccco1 34a_100000210059_100000688953 [0,2,0,0,0,0|0,0,0]=2 4378 B11R1.4 C#CCCOCc1cccs1 34a_100000211240_100000688953 [0,2,0,0,0,0|0,1,0]=3 4379 B11R1.4 C#CCCOCc1ccn[nH]1 34a_100011215631_100000728653 [0,2,0,0,0,0|2,0,0]=4 4380 B11R1.4 C#CCCOCc1ccno1 34a_100000740478_100000688953 [0,2,0,0,0,0|1,0,0]=3 4381 B11R1.4 C#CCCOCc1ccoc1 34a_100011215357_100000688953 [0,2,0,0,0,0|2,0,0]=4 4382 B11R1.4 C#CCCOCc1ccon1 34a_100011215631_100000234950 [0,2,0,0,0,0|2,0,0]=4 4383 B11R1.4 C#CCCOCc1ccsc1 34a_100011215551_100000688953 [0,2,0,0,0,0|2,0,0]=4 4384 B11R1.4 C#CCCOCc1ccsc1 34a_100011215631_100011261437 [0,2,0,0,0,0|2,0,0]=4 4385 B11R1.4 C#CCCOCc1cncs1 34a_100011215631_100015185245 [0,2,0,0,0,0|1,1,0]=4 4386 B11R1.4 C#CCCOCc1cscn1 34a_100011215631_100000205941 [0,2,0,0,0,0|2,0,0]=4 4387 B11R1.4 C#CCCOCc1ncc[nH]1 34a_100011215631_100016991755 [0,2,0,0,0,0|2,0,0]=4 4388 B11R1.4 C#CCCOCc1ncco1 34a_100000062594_100000688953 [0,2,0,0,0,0|1,0,0]=3 4389 B11R1.4 C#CCCOCc1ncco1 34a_100011215631_103436540062 [0,2,0,0,0,0|1,0,0]=3 4390 B11R1.4 C#CCCOCc1nccs1 34a_100011215631_100015184050 [0,2,0,0,0,0|1,1,0]=4 4391 B11R1.4 C#CCCOCn1cccn1 34a_100000731028_100000688953 [0,2,0,0,0,0|2,0,0]=4 4392 B11R1.4 C#CCCSCc1ncco1 62a_100000688953_103436540062 [0,2,0,0,0,0|1,1,0]=4 4393 B11R1.4 C#CCCSCc1ncco1 62a_103436540062_100000688953 [0,2,0,0,0,0|1,1,0]=4 4394 B11R1.4 C#CCNCCc1ccco1 2230a_100000694680_100000038162 [0,2,0,0,0,0|1,0,1]=4 4395 B11R1.4 C#CCNCCc1ccco1 34a_100000694680_100000184674 [0,2,0,0,0,0|1,0,1]=4 4396 B11R1.4 C#CCOCCc1cccs1 34a_100000210247_100000748579 [0,2,0,0,0,0|0,1,1]=4 4397 B11R1.4 C#CCOCCc1cccs1 34a_100011216825_100000184674 [0,2,0,0,0,0|0,1,1]=4 4398 B11R1.4 C#CCOCCc1cccs1 7a_100011216825_100000038162 [0,2,0,0,0,0|0,1,1]=4 4399 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [0,2,0,0,0,0|1,0,0]=3 4400 B11R1.4 C/C=C/COCc1c[nH]cn1 34a_100016270725_100000707719 [0,2,0,0,0,0|2,0,0]=4 4401 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [0,2,0,0,0,0|0,0,0]=2 4402 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [0,2,0,0,0,0|0,1,0]=3 4403 B11R1.4 C/C=C/COCc1ccn[nH]1 34a_100016270725_100000728653 [0,2,0,0,0,0|2,0,0]=4 4404 B11R1.4 C/C=C/COCc1ccno1 34a_100000740478_100102629194 [0,2,0,0,0,0|1,0,0]=3 4405 B11R1.4 C/C=C/COCc1ccoc1 34a_100011215357_100102629194 [0,2,0,0,0,0|2,0,0]=4 4406 B11R1.4 C/C=C/COCc1ccon1 34a_100016270725_100000234950 [0,2,0,0,0,0|2,0,0]=4 4407 B11R1.4 C/C=C/COCc1ccsc1 34a_100011215551_100102629194 [0,2,0,0,0,0|2,0,0]=4 4408 B11R1.4 C/C=C/COCc1ccsc1 34a_100016270725_100011261437 [0,2,0,0,0,0|2,0,0]=4 4409 B11R1.4 C/C=C/COCc1cncs1 34a_100016270725_100015185245 [0,2,0,0,0,0|1,1,0]=4 4410 B11R1.4 C/C=C/COCc1cscn1 34a_100016270725_100000205941 [0,2,0,0,0,0|2,0,0]=4 4411 B11R1.4 C/C=C/COCc1ncc[nH]1 34a_100016270725_100016991755 [0,2,0,0,0,0|2,0,0]=4 4412 B11R1.4 C/C=C/COCc1ncco1 34a_100000062594_100102629194 [0,2,0,0,0,0|1,0,0]=3 4413 B11R1.4 C/C=C/COCc1ncco1 34a_100016270725_103436540062 [0,2,0,0,0,0|1,0,0]=3 4414 B11R1.4 C/C=C/COCc1nccs1 34a_100016270725_100015184050 [0,2,0,0,0,0|1,1,0]=4 4415 B11R1.4 C/C=C/COCn1cccn1 34a_100000731028_100102629194 [0,2,0,0,0,0|2,0,0]=4 4416 B11R1.4 C/C=C/CSCc1ncco1 62a_100102629194_103436540062 [0,2,0,0,0,0|1,1,0]=4 4417 B11R1.4 C/C=C/CSCc1ncco1 62a_103436540062_100102629194 [0,2,0,0,0,0|1,1,0]=4 4418 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [0,2,0,0,0,0|1,0,1]=4 4419 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [0,2,0,0,0,0|1,0,1]=4 4420 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [0,2,0,0,0,0|1,0,0]=3 4421 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [0,2,0,0,0,0|1,0,0]=3 4422 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [0,2,0,0,0,0|1,0,0]=3 4423 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [0,2,0,0,0,0|1,0,0]=3 4424 B11R1.4 C=CCCNCc1cccs1 207a_100015191253_100000209959 [0,2,0,0,0,0|1,1,0]=4 4425 B11R1.4 C=CCCNCc1cccs1 2230a_100000211653_100000754431 [0,2,0,0,0,0|1,1,0]=4 4426 B11R1.4 C=CCCNCc1cccs1 270004a_100015191253_100000209959 [0,2,0,0,0,0|1,1,0]=4 4427 B11R1.4 C=CCCNCc1cnco1 270004a_100015191253_100000064291 [0,2,0,0,0,0|2,0,0]=4 4428 B11R1.4 C=CCCNCc1ncco1 2230a_100015191253_103436540062 [0,2,0,0,0,0|2,0,0]=4 4429 B11R1.4 C=CCCNCc1ncco1 2230a_100016994969_100000754431 [0,2,0,0,0,0|2,0,0]=4 4430 B11R1.4 C=CCCNCc1ncco1 270004a_100015191253_100000064290 [0,2,0,0,0,0|2,0,0]=4 4431 B11R1.4 C=CCCOCc1c[nH]cn1 34a_100011205117_100000707719 [0,2,0,0,0,0|2,0,0]=4 4432 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [0,2,0,0,0,0|0,0,0]=2 4433 B11R1.4 C=CCCOCc1cccs1 34a_100000211240_100000754431 [0,2,0,0,0,0|0,1,0]=3 4434 B11R1.4 C=CCCOCc1ccn[nH]1 34a_100011205117_100000728653 [0,2,0,0,0,0|2,0,0]=4 4435 B11R1.4 C=CCCOCc1ccno1 34a_100000740478_100000754431 [0,2,0,0,0,0|1,0,0]=3 4436 B11R1.4 C=CCCOCc1ccoc1 34a_100011215357_100000754431 [0,2,0,0,0,0|2,0,0]=4 4437 B11R1.4 C=CCCOCc1ccon1 34a_100011205117_100000234950 [0,2,0,0,0,0|2,0,0]=4 4438 B11R1.4 C=CCCOCc1ccsc1 34a_100011205117_100011261437 [0,2,0,0,0,0|2,0,0]=4 4439 B11R1.4 C=CCCOCc1ccsc1 34a_100011215551_100000754431 [0,2,0,0,0,0|2,0,0]=4 4440 B11R1.4 C=CCCOCc1cncs1 34a_100011205117_100015185245 [0,2,0,0,0,0|1,1,0]=4 4441 B11R1.4 C=CCCOCc1cscn1 34a_100011205117_100000205941 [0,2,0,0,0,0|2,0,0]=4 4442 B11R1.4 C=CCCOCc1ncc[nH]1 34a_100011205117_100016991755 [0,2,0,0,0,0|2,0,0]=4 4443 B11R1.4 C=CCCOCc1ncco1 34a_100000062594_100000754431 [0,2,0,0,0,0|1,0,0]=3 4444 B11R1.4 C=CCCOCc1ncco1 34a_100011205117_103436540062 [0,2,0,0,0,0|1,0,0]=3 4445 B11R1.4 C=CCCOCc1nccs1 34a_100011205117_100015184050 [0,2,0,0,0,0|1,1,0]=4 4446 B11R1.4 C=CCCOCn1cccn1 34a_100000731028_100000754431 [0,2,0,0,0,0|2,0,0]=4 4447 B11R1.4 C=CCCSCc1ncco1 62a_100000754431_103436540062 [0,2,0,0,0,0|1,1,0]=4 4448 B11R1.4 C=CCCSCc1ncco1 62a_103436540062_100000754431 [0,2,0,0,0,0|1,1,0]=4 4449 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [0,2,0,0,0,0|1,0,1]=4 4450 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [0,2,0,0,0,0|1,0,1]=4 4451 B11R1.4 C=CCOCCc1cccs1 34a_100011216825_100015514636 [0,2,0,0,0,0|0,1,1]=4 4452 B11R1.4 C=CCOCCc1cccs1 34a_200000210373_100000748579 [0,2,0,0,0,0|0,1,1]=4 4453 B11R1.4 C=CCOCCc1cccs1 7a_100011216825_100015514636 [0,2,0,0,0,0|0,1,1]=4 4454 B11R1.4 C=COCCSc1ccco1 62a_100000039644_100009814098 [0,2,0,0,0,0|0,0,2]=4 4455 B11R1.4 C=COCCSc1ccco1 62a_100009814098_100000039644 [0,2,0,0,0,0|0,0,2]=4 4456 B11R1.4 CC#CCNCc1ccco1 2230a_100000185738_100000748600 [0,2,0,0,0,0|1,0,0]=3 4457 B11R1.4 CC#CCNCc1ccco1 34a_100000185738_100000748600 [0,2,0,0,0,0|1,0,0]=3 4458 B11R1.4 CC#CCNCc1cccs1 2230a_100000211653_100000748600 [0,2,0,0,0,0|1,1,0]=4 4459 B11R1.4 CC#CCNCc1ncco1 2230a_100000685387_103436540062 [0,2,0,0,0,0|2,0,0]=4 4460 B11R1.4 CC#CCNCc1ncco1 2230a_100016994969_100000748600 [0,2,0,0,0,0|2,0,0]=4 4461 B11R1.4 CC#CCNCc1ncco1 34a_100000685387_103436540062 [0,2,0,0,0,0|2,0,0]=4 4462 B11R1.4 CC#CCOCc1c[nH]cn1 34a_100000761923_100000707719 [0,2,0,0,0,0|2,0,0]=4 4463 B11R1.4 CC#CCOCc1ccco1 34a_100000210059_100000748600 [0,2,0,0,0,0|0,0,0]=2 4464 B11R1.4 CC#CCOCc1cccs1 34a_100000211240_100000748600 [0,2,0,0,0,0|0,1,0]=3 4465 B11R1.4 CC#CCOCc1ccn[nH]1 34a_100000761923_100000728653 [0,2,0,0,0,0|2,0,0]=4 4466 B11R1.4 CC#CCOCc1ccno1 34a_100000740478_100000748600 [0,2,0,0,0,0|1,0,0]=3 4467 B11R1.4 CC#CCOCc1ccoc1 34a_100011215357_100000748600 [0,2,0,0,0,0|2,0,0]=4 4468 B11R1.4 CC#CCOCc1ccon1 34a_100000761923_100000234950 [0,2,0,0,0,0|2,0,0]=4 4469 B11R1.4 CC#CCOCc1ccsc1 34a_100000761923_100011261437 [0,2,0,0,0,0|2,0,0]=4 4470 B11R1.4 CC#CCOCc1ccsc1 34a_100011215551_100000748600 [0,2,0,0,0,0|2,0,0]=4 4471 B11R1.4 CC#CCOCc1cncs1 34a_100000761923_100015185245 [0,2,0,0,0,0|1,1,0]=4 4472 B11R1.4 CC#CCOCc1cscn1 34a_100000761923_100000205941 [0,2,0,0,0,0|2,0,0]=4 4473 B11R1.4 CC#CCOCc1ncc[nH]1 34a_100000761923_100016991755 [0,2,0,0,0,0|2,0,0]=4 4474 B11R1.4 CC#CCOCc1ncco1 34a_100000062594_100000748600 [0,2,0,0,0,0|1,0,0]=3 4475 B11R1.4 CC#CCOCc1ncco1 34a_100000761923_103436540062 [0,2,0,0,0,0|1,0,0]=3 4476 B11R1.4 CC#CCOCc1nccs1 34a_100000761923_100015184050 [0,2,0,0,0,0|1,1,0]=4 4477 B11R1.4 CC#CCOCn1cccn1 34a_100000731028_100000748600 [0,2,0,0,0,0|2,0,0]=4 4478 B11R1.4 CC#CCSCc1ncco1 62a_100000748600_103436540062 [0,2,0,0,0,0|1,1,0]=4 4479 B11R1.4 CC#CCSCc1ncco1 62a_103436540062_100000748600 [0,2,0,0,0,0|1,1,0]=4 4480 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [0,2,0,0,0,0|1,0,0]=3 4481 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [0,2,0,0,0,0|1,0,0]=3 4482 B11R1.4 CC/C=C\CSc1cccs1 62a_100011215356_100103147603 [0,2,0,0,0,0|1,1,0]=4 4483 B11R1.4 CC/C=C\CSc1cccs1 62a_100103147603_100011215356 [0,2,0,0,0,0|1,1,0]=4 4484 B11R1.4 CC/C=C\CSc1cnco1 62a_100020591547_100103147603 [0,2,0,0,0,0|2,0,0]=4 4485 B11R1.4 CC/C=C\CSc1cnco1 62a_100103147603_100020591547 [0,2,0,0,0,0|2,0,0]=4 4486 B11R1.4 CC/C=C\CSc1ncco1 62a_100011787736_100103147603 [0,2,0,0,0,0|2,0,0]=4 4487 B11R1.4 CC/C=C\CSc1ncco1 62a_100103147603_100011787736 [0,2,0,0,0,0|2,0,0]=4 4488 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [0,2,0,0,0,0|1,0,0]=3 4489 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [0,2,0,0,0,0|1,0,0]=3 4490 B11R1.4 CC=CCNCc1cccs1 2230a_100000211653_100000070051 [0,2,0,0,0,0|1,1,0]=4 4491 B11R1.4 CC=CCNCc1ncco1 2230a_100016994969_100000070051 [0,2,0,0,0,0|2,0,0]=4 4492 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [0,2,0,0,0,0|0,0,0]=2 4493 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [0,2,0,0,0,0|0,1,0]=3 4494 B11R1.4 CC=CCOCc1ccno1 34a_100000740478_100000070051 [0,2,0,0,0,0|1,0,0]=3 4495 B11R1.4 CC=CCOCc1ccoc1 34a_100011215357_100000070051 [0,2,0,0,0,0|2,0,0]=4 4496 B11R1.4 CC=CCOCc1ccsc1 34a_100011215551_100000070051 [0,2,0,0,0,0|2,0,0]=4 4497 B11R1.4 CC=CCOCc1ncco1 34a_100000062594_100000070051 [0,2,0,0,0,0|1,0,0]=3 4498 B11R1.4 CC=CCOCn1cccn1 34a_100000731028_100000070051 [0,2,0,0,0,0|2,0,0]=4 4499 B11R1.4 CC=CCSCc1ncco1 62a_100000070051_103436540062 [0,2,0,0,0,0|1,1,0]=4 4500 B11R1.4 CC=CCSCc1ncco1 62a_103436540062_100000070051 [0,2,0,0,0,0|1,1,0]=4 4501 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [0,2,0,0,0,0|1,0,0]=3 4502 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [0,2,0,0,0,0|1,0,0]=3 4503 B11R1.4 CCC#CCSc1cccs1 62a_100009813939_100011215356 [0,2,0,0,0,0|1,1,0]=4 4504 B11R1.4 CCC#CCSc1cccs1 62a_100011215356_100009813939 [0,2,0,0,0,0|1,1,0]=4 4505 B11R1.4 CCC#CCSc1cnco1 62a_100009813939_100020591547 [0,2,0,0,0,0|2,0,0]=4 4506 B11R1.4 CCC#CCSc1cnco1 62a_100020591547_100009813939 [0,2,0,0,0,0|2,0,0]=4 4507 B11R1.4 CCC#CCSc1ncco1 62a_100009813939_100011787736 [0,2,0,0,0,0|2,0,0]=4 4508 B11R1.4 CCC#CCSc1ncco1 62a_100011787736_100009813939 [0,2,0,0,0,0|2,0,0]=4 4509 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [0,2,0,0,0,0|1,0,0]=3 4510 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [0,2,0,0,0,0|1,1,0]=4 4511 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [0,2,0,0,0,0|2,0,0]=4 4512 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [0,2,0,0,0,0|2,0,0]=4 4513 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,2,0,0,0,0|1,0,0]=3 4514 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,2,0,0,0,0|1,0,0]=3 4515 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,2,0,0,0,0|1,1,0]=4 4516 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,2,0,0,0,0|1,1,0]=4 4517 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,2,0,0,0,0|2,0,0]=4 4518 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,2,0,0,0,0|2,0,0]=4 4519 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [0,2,0,0,0,0|2,0,0]=4 4520 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [0,2,0,0,0,0|2,0,0]=4 4521 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,2,0,0,0,0|1,0,0]=3 4522 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,2,0,0,0,0|1,0,0]=3 4523 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,2,0,0,0,0|1,0,0]=3 4524 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,2,0,0,0,0|1,0,0]=3 4525 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,2,0,0,0,0|1,1,0]=4 4526 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,2,0,0,0,0|1,1,0]=4 4527 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,2,0,0,0,0|1,1,0]=4 4528 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [0,2,0,0,0,0|2,0,0]=4 4529 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [0,2,0,0,0,0|2,0,0]=4 4530 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [0,2,0,0,0,0|2,0,0]=4 4531 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [0,2,0,0,0,0|2,0,0]=4 4532 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [0,2,0,0,0,0|2,0,0]=4 4533 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [0,2,0,0,0,0|2,0,0]=4 4534 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,2,0,0,0,0|0,0,0]=2 4535 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,2,0,0,0,0|0,1,0]=3 4536 B11R1.4 CCCCOCc1ccn[nH]1 34a_100000210227_100000728653 [0,2,0,0,0,0|2,0,0]=4 4537 B11R1.4 CCCCOCc1ccn[nH]1 7a_100000210227_100000728653 [0,2,0,0,0,0|2,0,0]=4 4538 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,2,0,0,0,0|1,0,0]=3 4539 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,2,0,0,0,0|2,0,0]=4 4540 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [0,2,0,0,0,0|2,0,0]=4 4541 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [0,2,0,0,0,0|2,0,0]=4 4542 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,2,0,0,0,0|2,0,0]=4 4543 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,2,0,0,0,0|2,0,0]=4 4544 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,2,0,0,0,0|2,0,0]=4 4545 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [0,2,0,0,0,0|1,1,0]=4 4546 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [0,2,0,0,0,0|1,1,0]=4 4547 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [0,2,0,0,0,0|2,0,0]=4 4548 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [0,2,0,0,0,0|2,0,0]=4 4549 B11R1.4 CCCCOCc1ncc[nH]1 34a_100000210227_100016991755 [0,2,0,0,0,0|2,0,0]=4 4550 B11R1.4 CCCCOCc1ncc[nH]1 7a_100000210227_100000753453 [0,2,0,0,0,0|2,0,0]=4 4551 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [0,2,0,0,0,0|1,0,0]=3 4552 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [0,2,0,0,0,0|1,0,0]=3 4553 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [0,2,0,0,0,0|1,0,0]=3 4554 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [0,2,0,0,0,0|1,1,0]=4 4555 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [0,2,0,0,0,0|1,1,0]=4 4556 B11R1.4 CCCCOCn1cccn1 34a_100000731028_100000210210 [0,2,0,0,0,0|2,0,0]=4 4557 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [0,2,0,0,0,0|1,1,0]=4 4558 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [0,2,0,0,0,0|1,1,0]=4 4559 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,2,0,0,0,0|1,0,0]=3 4560 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,2,0,0,0,0|1,0,0]=3 4561 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,2,0,0,0,0|1,1,0]=4 4562 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,2,0,0,0,0|1,1,0]=4 4563 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [0,2,0,0,0,0|1,0,1]=4 4564 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,2,0,0,0,0|0,1,0]=3 4565 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,2,0,0,0,0|0,1,0]=3 4566 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,2,0,0,0,0|0,1,0]=3 4567 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,2,0,0,0,0|2,0,0]=4 4568 B11R1.4 CCCOCCc1ncc[nH]1 34a_103549771195_100000210303 [0,2,0,0,0,0|2,0,0]=4 4569 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,2,0,0,0,0|2,0,0]=4 4570 B11R1.4 CCCOCCn1cccn1 34a_100000210258_100015204718 [0,2,0,0,0,0|2,0,0]=4 4571 B11R1.4 CCCOCCn1cccn1 34a_100000743371_100000210303 [0,2,0,0,0,0|2,0,0]=4 4572 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,2,0,0,0,0|0,2,0]=4 4573 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,2,0,0,0,0|0,2,0]=4 4574 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [0,2,0,0,0,0|1,0,0]=3 4575 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,2,0,0,0,0|1,1,0]=4 4576 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,2,0,0,0,0|0,1,0]=3 4577 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,2,0,0,0,0|0,1,0]=3 4578 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,2,0,0,0,0|0,1,0]=3 4579 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,2,0,0,0,0|2,0,0]=4 4580 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,2,0,0,0,0|2,0,0]=4 4581 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [0,2,0,0,0,0|2,0,0]=4 4582 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [0,2,0,0,0,0|2,0,0]=4 4583 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [0,2,0,0,0,0|2,0,0]=4 4584 B11R1.4 CCOCCCn1cccn1 34a_100000753614_100000210202 [0,2,0,0,0,0|2,0,0]=4 4585 B11R1.4 CCOCCOc1ccsc1 34a_100000106738_100000210147 [0,2,0,0,0,0|2,0,0]=4 4586 B11R1.4 CCOCCOc1ccsc1 7a_100000106738_100011215890 [0,2,0,0,0,0|2,0,0]=4 4587 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000210147_100000756875 [0,2,0,0,0,0|2,0,0]=4 4588 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000756875_100011215890 [0,2,0,0,0,0|2,0,0]=4 4589 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000062575_100011215890 [0,2,0,0,0,0|2,0,0]=4 4590 B11R1.4 CCOCCSc1cc[nH]n1 62a_100000210147_100000062575 [0,2,0,0,0,0|2,0,0]=4 4591 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [0,2,0,0,0,0|0,0,0]=2 4592 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [0,2,0,0,0,0|0,0,0]=2 4593 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [0,2,0,0,0,0|0,1,0]=3 4594 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [0,2,0,0,0,0|0,1,0]=3 4595 B11R1.4 CCOCCSc1ccoc1 62a_100000210147_100011215275 [0,2,0,0,0,0|2,0,0]=4 4596 B11R1.4 CCOCCSc1ccoc1 62a_100011215275_100011215890 [0,2,0,0,0,0|2,0,0]=4 4597 B11R1.4 CCOCCSc1ccon1 62a_100000210147_100009818083 [0,2,0,0,0,0|2,0,0]=4 4598 B11R1.4 CCOCCSc1ccon1 62a_100009818083_100011215890 [0,2,0,0,0,0|2,0,0]=4 4599 B11R1.4 CCOCCSc1ccsc1 62a_100000210147_100000738268 [0,2,0,0,0,0|2,0,0]=4 4600 B11R1.4 CCOCCSc1ccsc1 62a_100000738268_100011215890 [0,2,0,0,0,0|2,0,0]=4 4601 B11R1.4 CCOCCSc1ccsn1 62a_100000210147_100009818082 [0,2,0,0,0,0|2,0,0]=4 4602 B11R1.4 CCOCCSc1ccsn1 62a_100009818082_100011215890 [0,2,0,0,0,0|2,0,0]=4 4603 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [0,2,0,0,0,0|1,0,0]=3 4604 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [0,2,0,0,0,0|1,0,0]=3 4605 B11R1.4 CCOCCSc1cncs1 62a_100000210147_100011934649 [0,2,0,0,0,0|1,1,0]=4 4606 B11R1.4 CCOCCSc1cncs1 62a_100011934649_100011215890 [0,2,0,0,0,0|1,1,0]=4 4607 B11R1.4 CCOCCSc1cscn1 62a_100000210147_100000751502 [0,2,0,0,0,0|2,0,0]=4 4608 B11R1.4 CCOCCSc1cscn1 62a_100000751502_100011215890 [0,2,0,0,0,0|2,0,0]=4 4609 B11R1.4 CCOCCSc1ncc[nH]1 62a_100000210147_100025796157 [0,2,0,0,0,0|2,0,0]=4 4610 B11R1.4 CCOCCSc1ncc[nH]1 62a_100025796157_100011215890 [0,2,0,0,0,0|2,0,0]=4 4611 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [0,2,0,0,0,0|1,0,0]=3 4612 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [0,2,0,0,0,0|1,0,0]=3 4613 B11R1.4 CCOCCSc1nccs1 62a_100000210147_100000211983 [0,2,0,0,0,0|1,1,0]=4 4614 B11R1.4 CCOCCSc1nccs1 62a_100000211983_100011215890 [0,2,0,0,0,0|1,1,0]=4 4615 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000707719_100000739092 [0,2,0,0,0,0|2,0,0]=4 4616 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000739092_100000707719 [0,2,0,0,0,0|2,0,0]=4 4617 B11R1.4 CCOCSCc1ccn[nH]1 62a_100000728653_100000739092 [0,2,0,0,0,0|2,0,0]=4 4618 B11R1.4 CCOCSCc1ccn[nH]1 62a_100000739092_100000728653 [0,2,0,0,0,0|2,0,0]=4 4619 B11R1.4 CCOCSCc1ccon1 62a_100000234950_100000739092 [0,2,0,0,0,0|2,0,0]=4 4620 B11R1.4 CCOCSCc1ccon1 62a_100000739092_100000234950 [0,2,0,0,0,0|2,0,0]=4 4621 B11R1.4 CCOCSCc1ccsc1 62a_100000739092_100011233845 [0,2,0,0,0,0|2,0,0]=4 4622 B11R1.4 CCOCSCc1ccsc1 62a_100011261437_100000739092 [0,2,0,0,0,0|2,0,0]=4 4623 B11R1.4 CCOCSCc1cncs1 62a_100000739092_100015185245 [0,2,0,0,0,0|1,1,0]=4 4624 B11R1.4 CCOCSCc1cncs1 62a_100015185245_100000739092 [0,2,0,0,0,0|1,1,0]=4 4625 B11R1.4 CCOCSCc1cscn1 62a_100000205941_100000739092 [0,2,0,0,0,0|2,0,0]=4 4626 B11R1.4 CCOCSCc1cscn1 62a_100000739092_100000205941 [0,2,0,0,0,0|2,0,0]=4 4627 B11R1.4 CCOCSCc1ncc[nH]1 62a_100000739092_100016991755 [0,2,0,0,0,0|2,0,0]=4 4628 B11R1.4 CCOCSCc1ncc[nH]1 62a_100016991755_100000739092 [0,2,0,0,0,0|2,0,0]=4 4629 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [0,2,0,0,0,0|1,0,0]=3 4630 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [0,2,0,0,0,0|1,0,0]=3 4631 B11R1.4 CCOCSCc1nccs1 62a_100000739092_100015184050 [0,2,0,0,0,0|1,1,0]=4 4632 B11R1.4 CCOCSCc1nccs1 62a_100015184050_100000739092 [0,2,0,0,0,0|1,1,0]=4 4633 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,2,0,0,0,0|0,2,0]=4 4634 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,2,0,0,0,0|0,2,0]=4 4635 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [0,2,0,0,0,0|0,1,0]=3 4636 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [0,2,0,0,0,0|0,1,0]=3 4637 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [0,2,0,0,0,0|0,2,0]=4 4638 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [0,2,0,0,0,0|0,2,0]=4 4639 B11R1.4 CCSCCSc1cnco1 62a_100000757381_100020591547 [0,2,0,0,0,0|1,1,0]=4 4640 B11R1.4 CCSCCSc1cnco1 62a_100020591547_100000757381 [0,2,0,0,0,0|1,1,0]=4 4641 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [0,2,0,0,0,0|1,1,0]=4 4642 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [0,2,0,0,0,0|1,1,0]=4 4643 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [0,2,0,0,0,0|0,1,0]=3 4644 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [0,2,0,0,0,0|0,1,0]=3 4645 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [0,2,0,0,0,0|1,0,0]=3 4646 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [0,2,0,0,0,0|1,0,0]=3 4647 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [0,2,0,0,0,0|1,1,0]=4 4648 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [0,2,0,0,0,0|1,1,0]=4 4649 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [0,2,0,0,0,0|2,0,0]=4 4650 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [0,2,0,0,0,0|2,0,0]=4 4651 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [0,2,0,0,0,0|2,0,0]=4 4652 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [0,2,0,0,0,0|2,0,0]=4 4653 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [0,2,0,0,0,0|1,0,0]=3 4654 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [0,2,0,0,0,0|1,0,0]=3 4655 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [0,2,0,0,0,0|1,0,0]=3 4656 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [0,2,0,0,0,0|1,0,0]=3 4657 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [0,2,0,0,0,0|1,1,0]=4 4658 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [0,2,0,0,0,0|1,1,0]=4 4659 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [0,2,0,0,0,0|1,1,0]=4 4660 B11R1.4 COCCNCc1cnco1 270004a_100000209980_100000064291 [0,2,0,0,0,0|2,0,0]=4 4661 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [0,2,0,0,0,0|2,0,0]=4 4662 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [0,2,0,0,0,0|2,0,0]=4 4663 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [0,2,0,0,0,0|2,0,0]=4 4664 B11R1.4 COCCOCc1c[nH]cn1 34a_100000210237_100000707719 [0,2,0,0,0,0|2,0,0]=4 4665 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [0,2,0,0,0,0|0,0,0]=2 4666 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [0,2,0,0,0,0|0,1,0]=3 4667 B11R1.4 COCCOCc1ccn[nH]1 34a_100000210237_100000728653 [0,2,0,0,0,0|2,0,0]=4 4668 B11R1.4 COCCOCc1ccno1 34a_100000740478_100011201679 [0,2,0,0,0,0|1,0,0]=3 4669 B11R1.4 COCCOCc1ccoc1 34a_100011215357_100011201679 [0,2,0,0,0,0|2,0,0]=4 4670 B11R1.4 COCCOCc1ccon1 34a_100000210237_100000234950 [0,2,0,0,0,0|2,0,0]=4 4671 B11R1.4 COCCOCc1ccsc1 34a_100000210237_100011261437 [0,2,0,0,0,0|2,0,0]=4 4672 B11R1.4 COCCOCc1ccsc1 34a_100011215551_100011201679 [0,2,0,0,0,0|2,0,0]=4 4673 B11R1.4 COCCOCc1cncs1 34a_100000210237_100015185245 [0,2,0,0,0,0|1,1,0]=4 4674 B11R1.4 COCCOCc1cscn1 34a_100000210237_100000205941 [0,2,0,0,0,0|2,0,0]=4 4675 B11R1.4 COCCOCc1ncc[nH]1 34a_100000210237_100016991755 [0,2,0,0,0,0|2,0,0]=4 4676 B11R1.4 COCCOCc1ncco1 34a_100000062594_100011201679 [0,2,0,0,0,0|1,0,0]=3 4677 B11R1.4 COCCOCc1ncco1 34a_100000210237_103436540062 [0,2,0,0,0,0|1,0,0]=3 4678 B11R1.4 COCCOCc1nccs1 34a_100000210237_100015184050 [0,2,0,0,0,0|1,1,0]=4 4679 B11R1.4 COCCOCn1cccn1 34a_100000731028_100011201679 [0,2,0,0,0,0|2,0,0]=4 4680 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [0,2,0,0,0,0|1,1,0]=4 4681 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [0,2,0,0,0,0|1,1,0]=4 4682 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [0,2,0,0,0,0|1,0,0]=3 4683 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [0,2,0,0,0,0|1,1,0]=4 4684 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [0,2,0,0,0,0|0,2,0]=4 4685 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [0,2,0,0,0,0|0,2,0]=4 4686 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [0,2,0,0,0,0|1,0,0]=3 4687 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [0,2,0,0,0,0|1,0,0]=3 4688 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [0,2,0,0,0,0|1,0,0]=3 4689 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [0,2,0,0,0,0|1,0,0]=3 4690 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [0,2,0,0,0,0|1,1,0]=4 4691 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [0,2,0,0,0,0|1,1,0]=4 4692 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [0,2,0,0,0,0|1,1,0]=4 4693 B11R1.4 CSCCNCc1cnco1 270004a_100020590264_100000064291 [0,2,0,0,0,0|2,0,0]=4 4694 B11R1.4 CSCCNCc1ncco1 2230a_100016994969_100000751147 [0,2,0,0,0,0|2,0,0]=4 4695 B11R1.4 CSCCNCc1ncco1 2230a_100020590264_103436540062 [0,2,0,0,0,0|2,0,0]=4 4696 B11R1.4 CSCCNCc1ncco1 270004a_100020590264_100000064290 [0,2,0,0,0,0|2,0,0]=4 4697 B11R1.4 CSCCOCc1c[nH]cn1 34a_100000230434_100000707719 [0,2,0,0,0,0|2,0,0]=4 4698 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [0,2,0,0,0,0|0,0,0]=2 4699 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [0,2,0,0,0,0|0,1,0]=3 4700 B11R1.4 CSCCOCc1ccn[nH]1 34a_100000230434_100000728653 [0,2,0,0,0,0|2,0,0]=4 4701 B11R1.4 CSCCOCc1ccn[nH]1 7a_100000230434_100000728653 [0,2,0,0,0,0|2,0,0]=4 4702 B11R1.4 CSCCOCc1ccno1 34a_100000740478_100000212216 [0,2,0,0,0,0|1,0,0]=3 4703 B11R1.4 CSCCOCc1ccoc1 34a_100011215357_100000212216 [0,2,0,0,0,0|2,0,0]=4 4704 B11R1.4 CSCCOCc1ccon1 34a_100000230434_100000234950 [0,2,0,0,0,0|2,0,0]=4 4705 B11R1.4 CSCCOCc1ccon1 7a_100000230434_100000234950 [0,2,0,0,0,0|2,0,0]=4 4706 B11R1.4 CSCCOCc1ccsc1 34a_100000230434_100011261437 [0,2,0,0,0,0|2,0,0]=4 4707 B11R1.4 CSCCOCc1ccsc1 34a_100011215551_100000212216 [0,2,0,0,0,0|2,0,0]=4 4708 B11R1.4 CSCCOCc1ccsc1 7a_100000230434_100011261437 [0,2,0,0,0,0|2,0,0]=4 4709 B11R1.4 CSCCOCc1cncs1 34a_100000230434_100015185245 [0,2,0,0,0,0|1,1,0]=4 4710 B11R1.4 CSCCOCc1cncs1 7a_100000230434_100015185245 [0,2,0,0,0,0|1,1,0]=4 4711 B11R1.4 CSCCOCc1cscn1 34a_100000230434_100000205941 [0,2,0,0,0,0|2,0,0]=4 4712 B11R1.4 CSCCOCc1cscn1 7a_100000230434_100000205941 [0,2,0,0,0,0|2,0,0]=4 4713 B11R1.4 CSCCOCc1ncc[nH]1 34a_100000230434_100016991755 [0,2,0,0,0,0|2,0,0]=4 4714 B11R1.4 CSCCOCc1ncc[nH]1 7a_100000230434_100000753453 [0,2,0,0,0,0|2,0,0]=4 4715 B11R1.4 CSCCOCc1ncco1 34a_100000062594_100000212216 [0,2,0,0,0,0|1,0,0]=3 4716 B11R1.4 CSCCOCc1ncco1 34a_100000230434_103436540062 [0,2,0,0,0,0|1,0,0]=3 4717 B11R1.4 CSCCOCc1ncco1 7a_100000230434_103436540062 [0,2,0,0,0,0|1,0,0]=3 4718 B11R1.4 CSCCOCc1nccs1 34a_100000230434_100015184050 [0,2,0,0,0,0|1,1,0]=4 4719 B11R1.4 CSCCOCc1nccs1 7a_100000230434_100015184050 [0,2,0,0,0,0|1,1,0]=4 4720 B11R1.4 CSCCOCn1cccn1 34a_100000731028_100000212216 [0,2,0,0,0,0|2,0,0]=4 4721 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [0,2,0,0,0,0|1,1,0]=4 4722 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [0,2,0,0,0,0|1,1,0]=4 4723 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [0,2,0,0,0,0|1,0,0]=3 4724 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [0,2,0,0,0,0|1,0,0]=3 4725 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [0,2,0,0,0,0|1,1,0]=4 4726 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [0,2,0,0,0,0|1,1,0]=4 4727 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [0,2,0,0,0,0|0,1,0]=3 4728 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [0,2,0,0,0,0|2,0,0]=4 4729 B11R1.4 CSCOCCc1ncc[nH]1 34a_103549771195_100011218213 [0,2,0,0,0,0|2,0,0]=4 4730 B11R1.4 CSCOCCn1cccc1 34a_100000179382_100011218213 [0,2,0,0,0,0|2,0,0]=4 4731 B11R1.4 CSCOCCn1cccn1 34a_100000743371_100011218213 [0,2,0,0,0,0|2,0,0]=4 4732 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [0,2,0,0,0,0|0,2,0]=4 4733 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [0,2,0,0,0,0|0,2,0]=4 4734 B11R1.4 ClCCCOCc1c[nH]cn1 34a_100000230001_100000707719 [0,2,0,0,0,0|2,0,0]=4 4735 B11R1.4 ClCCCOCc1ccn[nH]1 34a_100000230001_100000728653 [0,2,0,0,0,0|2,0,0]=4 4736 B11R1.4 ClCCCOCc1ccon1 34a_100000230001_100000234950 [0,2,0,0,0,0|2,0,0]=4 4737 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,2,0,0,0,0|2,0,0]=4 4738 B11R1.4 ClCCCOCc1cncs1 34a_100000230001_100015185245 [0,2,0,0,0,0|1,1,0]=4 4739 B11R1.4 ClCCCOCc1cscn1 34a_100000230001_100000205941 [0,2,0,0,0,0|2,0,0]=4 4740 B11R1.4 ClCCCOCc1ncc[nH]1 34a_100000230001_100016991755 [0,2,0,0,0,0|2,0,0]=4 4741 B11R1.4 ClCCCOCc1ncco1 34a_100000230001_103436540062 [0,2,0,0,0,0|1,0,0]=3 4742 B11R1.4 ClCCCOCc1nccs1 34a_100000230001_100015184050 [0,2,0,0,0,0|1,1,0]=4 4743 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,2,0,0,0,0|1,0,0]=3 4744 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,2,0,0,0,0|1,0,0]=3 4745 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,2,0,0,0,0|1,1,0]=4 4746 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,2,0,0,0,0|1,1,0]=4 4747 B11R1.4 FCCCCSc1cnco1 62a_100000729493_100020591547 [0,2,0,0,0,0|2,0,0]=4 4748 B11R1.4 FCCCCSc1cnco1 62a_100020591547_100000729493 [0,2,0,0,0,0|2,0,0]=4 4749 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [0,2,0,0,0,0|2,0,0]=4 4750 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [0,2,0,0,0,0|2,0,0]=4 4751 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,2,0,0,0,0|1,0,0]=3 4752 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,2,0,0,0,0|1,0,0]=3 4753 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,2,0,0,0,0|1,0,0]=3 4754 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,2,0,0,0,0|1,0,0]=3 4755 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,2,0,0,0,0|1,1,0]=4 4756 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,2,0,0,0,0|1,1,0]=4 4757 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,2,0,0,0,0|1,1,0]=4 4758 B11R1.4 FCCCNCc1cnco1 270004a_100015189416_100000064291 [0,2,0,0,0,0|2,0,0]=4 4759 B11R1.4 FCCCNCc1ncco1 2230a_100015189416_103436540062 [0,2,0,0,0,0|2,0,0]=4 4760 B11R1.4 FCCCNCc1ncco1 2230a_100016994969_100011934791 [0,2,0,0,0,0|2,0,0]=4 4761 B11R1.4 FCCCNCc1ncco1 270004a_100015189416_100000064290 [0,2,0,0,0,0|2,0,0]=4 4762 B11R1.4 FCCCNCc1ncco1 34a_100015189416_103436540062 [0,2,0,0,0,0|2,0,0]=4 4763 B11R1.4 FCCCOCc1c[nH]cn1 34a_100000759539_100000707719 [0,2,0,0,0,0|2,0,0]=4 4764 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [0,2,0,0,0,0|0,0,0]=2 4765 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [0,2,0,0,0,0|0,1,0]=3 4766 B11R1.4 FCCCOCc1ccn[nH]1 34a_100000759539_100000728653 [0,2,0,0,0,0|2,0,0]=4 4767 B11R1.4 FCCCOCc1ccno1 34a_100000740478_100011934791 [0,2,0,0,0,0|1,0,0]=3 4768 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [0,2,0,0,0,0|2,0,0]=4 4769 B11R1.4 FCCCOCc1ccon1 34a_100000759539_100000234950 [0,2,0,0,0,0|2,0,0]=4 4770 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,2,0,0,0,0|2,0,0]=4 4771 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,2,0,0,0,0|2,0,0]=4 4772 B11R1.4 FCCCOCc1cncs1 34a_100000759539_100015185245 [0,2,0,0,0,0|1,1,0]=4 4773 B11R1.4 FCCCOCc1cscn1 34a_100000759539_100000205941 [0,2,0,0,0,0|2,0,0]=4 4774 B11R1.4 FCCCOCc1ncc[nH]1 34a_100000759539_100016991755 [0,2,0,0,0,0|2,0,0]=4 4775 B11R1.4 FCCCOCc1ncco1 34a_100000062594_100011934791 [0,2,0,0,0,0|1,0,0]=3 4776 B11R1.4 FCCCOCc1ncco1 34a_100000759539_103436540062 [0,2,0,0,0,0|1,0,0]=3 4777 B11R1.4 FCCCOCc1nccs1 34a_100000759539_100015184050 [0,2,0,0,0,0|1,1,0]=4 4778 B11R1.4 FCCCOCn1cccn1 34a_100000731028_100011934791 [0,2,0,0,0,0|2,0,0]=4 4779 B11R1.4 FCCCSCc1ncco1 62a_100011934791_103436540062 [0,2,0,0,0,0|1,1,0]=4 4780 B11R1.4 FCCCSCc1ncco1 62a_103436540062_100011934791 [0,2,0,0,0,0|1,1,0]=4 4781 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [0,2,0,0,0,0|1,0,0]=3 4782 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [0,2,0,0,0,0|1,0,0]=3 4783 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [0,2,0,0,0,0|1,1,0]=4 4784 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [0,2,0,0,0,0|1,1,0]=4 4785 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [0,2,0,0,0,0|1,1,0]=4 4786 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,2,0,0,0,0|0,1,0]=3 4787 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,2,0,0,0,0|0,1,0]=3 4788 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,2,0,0,0,0|2,0,0]=4 4789 B11R1.4 FCCOCCc1ncc[nH]1 34a_103549771195_100011217306 [0,2,0,0,0,0|2,0,0]=4 4790 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,2,0,0,0,0|2,0,0]=4 4791 B11R1.4 FCCOCCn1cccn1 34a_100000743371_100011217306 [0,2,0,0,0,0|2,0,0]=4 4792 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [0,2,0,0,0,0|0,2,0]=4 4793 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [0,2,0,0,0,0|0,2,0]=4 4794 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [0,2,0,0,0,0|1,1,0]=4 4795 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [0,2,0,0,0,0|1,1,0]=4 4796 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [0,2,0,0,0,0|1,1,0]=4 4797 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [0,2,0,0,0,0|1,1,0]=4 4798 B11R1.4 N#CCCCSc1ccco1 62a_100000687738_100009814098 [0,2,0,0,0,0|1,0,1]=4 4799 B11R1.4 N#CCCCSc1ccco1 62a_100009814098_100000687738 [0,2,0,0,0,0|1,0,1]=4 4800 B11R1.4 N#CCCNCc1ccco1 2230a_100000185738_100011215226 [0,2,0,0,0,0|1,0,0]=3 4801 B11R1.4 N#CCCNCc1ccco1 270004a_100000720768_100000186105 [0,2,0,0,0,0|1,0,0]=3 4802 B11R1.4 N#CCCNCc1cccs1 2230a_100000211653_100011215226 [0,2,0,0,0,0|1,1,0]=4 4803 B11R1.4 N#CCCNCc1cccs1 270004a_100000720768_100000209959 [0,2,0,0,0,0|1,1,0]=4 4804 B11R1.4 N#CCCNCc1cnco1 270004a_100000720768_100000064291 [0,2,0,0,0,0|2,0,0]=4 4805 B11R1.4 N#CCCNCc1ncco1 2230a_100016994969_100011215226 [0,2,0,0,0,0|2,0,0]=4 4806 B11R1.4 N#CCCNCc1ncco1 270004a_100000720768_100000064290 [0,2,0,0,0,0|2,0,0]=4 4807 B11R1.4 N#CCCSCc1ncco1 62a_100011215226_103436540062 [0,2,0,0,0,0|1,1,0]=4 4808 B11R1.4 N#CCCSCc1ncco1 62a_103436540062_100011215226 [0,2,0,0,0,0|1,1,0]=4 4809 B11R1.4 N#CCNCCc1ccco1 2230a_100000694680_100011215382 [0,2,0,0,0,0|1,0,1]=4 4810 B11R1.4 N#CCOCCc1cccs1 7a_100011216825_100011215382 [0,2,0,0,0,0|0,1,1]=4 4811 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [0,2,0,0,0,0|2,0,0]=4 4812 B11R1.4 NCCCOCc1ccn[nH]1 34a_100000182051_100000728653 [0,2,0,0,0,0|2,0,0]=4 4813 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [0,2,0,0,0,0|2,0,0]=4 4814 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,2,0,0,0,0|2,0,0]=4 4815 B11R1.4 NCCCOCc1cncs1 34a_100000182051_100015185245 [0,2,0,0,0,0|1,1,0]=4 4816 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [0,2,0,0,0,0|2,0,0]=4 4817 B11R1.4 NCCCOCc1ncc[nH]1 34a_100000182051_100016991755 [0,2,0,0,0,0|2,0,0]=4 4818 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [0,2,0,0,0,0|1,0,0]=3 4819 B11R1.4 NCCCOCc1nccs1 34a_100000182051_100015184050 [0,2,0,0,0,0|1,1,0]=4 4820 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,2,0,0,0,0|0,1,0]=3 4821 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [0,2,0,0,0,0|2,0,0]=4 4822 B11R1.4 NOCCOCc1c[nH]cn1 34a_100000700252_100000707719 [0,2,0,0,0,0|2,0,0]=4 4823 B11R1.4 NOCCOCc1ccn[nH]1 34a_100000700252_100000728653 [0,2,0,0,0,0|2,0,0]=4 4824 B11R1.4 NOCCOCc1ccon1 34a_100000700252_100000234950 [0,2,0,0,0,0|2,0,0]=4 4825 B11R1.4 NOCCOCc1ccsc1 34a_100000700252_100011261437 [0,2,0,0,0,0|2,0,0]=4 4826 B11R1.4 NOCCOCc1cncs1 34a_100000700252_100015185245 [0,2,0,0,0,0|1,1,0]=4 4827 B11R1.4 NOCCOCc1cscn1 34a_100000700252_100000205941 [0,2,0,0,0,0|2,0,0]=4 4828 B11R1.4 NOCCOCc1ncc[nH]1 34a_100000700252_100016991755 [0,2,0,0,0,0|2,0,0]=4 4829 B11R1.4 NOCCOCc1ncco1 34a_100000700252_103436540062 [0,2,0,0,0,0|1,0,0]=3 4830 B11R1.4 NOCCOCc1nccs1 34a_100000700252_100015184050 [0,2,0,0,0,0|1,1,0]=4 4831 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [0,2,0,0,0,0|1,0,1]=4 4832 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [0,2,0,0,0,0|1,0,1]=4 4833 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [0,2,0,0,0,0|1,0,1]=4 4834 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [0,2,0,0,0,0|1,0,1]=4 4835 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [0,2,0,0,0,0|0,1,1]=4 4836 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [0,2,0,0,0,0|0,1,1]=4 4837 B11R1.4 OCC#CCSc1ccco1 62a_100009814098_200000047223 [0,2,0,0,0,0|1,0,1]=4 4838 B11R1.4 OCC#CCSc1ccco1 62a_200000047223_100009814098 [0,2,0,0,0,0|1,0,1]=4 4839 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,2,0,0,0,0|1,0,0]=3 4840 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,2,0,0,0,0|1,0,0]=3 4841 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,2,0,0,0,0|1,1,0]=4 4842 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,2,0,0,0,0|1,1,0]=4 4843 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [0,2,0,0,0,0|2,0,0]=4 4844 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [0,2,0,0,0,0|2,0,0]=4 4845 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [0,2,0,0,0,0|2,0,0]=4 4846 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [0,2,0,0,0,0|2,0,0]=4 4847 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,2,0,0,0,0|1,0,0]=3 4848 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,2,0,0,0,0|1,0,0]=3 4849 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,2,0,0,0,0|1,0,0]=3 4850 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,2,0,0,0,0|1,0,0]=3 4851 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,2,0,0,0,0|1,1,0]=4 4852 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,2,0,0,0,0|1,1,0]=4 4853 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,2,0,0,0,0|1,1,0]=4 4854 B11R1.4 OCCCNCc1cnco1 270004a_100000182051_100000064291 [0,2,0,0,0,0|2,0,0]=4 4855 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [0,2,0,0,0,0|2,0,0]=4 4856 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [0,2,0,0,0,0|2,0,0]=4 4857 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [0,2,0,0,0,0|0,0,0]=2 4858 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [0,2,0,0,0,0|0,1,0]=3 4859 B11R1.4 OCCCOCc1ccno1 34a_100000740478_100000230001 [0,2,0,0,0,0|1,0,0]=3 4860 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [0,2,0,0,0,0|2,0,0]=4 4861 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,2,0,0,0,0|2,0,0]=4 4862 B11R1.4 OCCCOCc1ncco1 34a_100000062594_100000230001 [0,2,0,0,0,0|1,0,0]=3 4863 B11R1.4 OCCCOCn1cccn1 34a_100000731028_100000230001 [0,2,0,0,0,0|2,0,0]=4 4864 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [0,2,0,0,0,0|1,1,0]=4 4865 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [0,2,0,0,0,0|1,1,0]=4 4866 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [0,2,0,0,0,0|1,0,0]=3 4867 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [0,2,0,0,0,0|1,0,0]=3 4868 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [0,2,0,0,0,0|1,1,0]=4 4869 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [0,2,0,0,0,0|1,1,0]=4 4870 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [0,2,0,0,0,0|1,1,0]=4 4871 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [0,2,0,0,0,0|1,1,0]=4 4872 B11R1.4 OCCNN=Cc1ccco1 4a_100000210001_100000186105 [0,2,0,0,0,0|1,0,1]=4 4873 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,2,0,0,0,0|0,1,0]=3 4874 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,2,0,0,0,0|0,1,0]=3 4875 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,2,0,0,0,0|2,0,0]=4 4876 B11R1.4 OCCOCCc1ncc[nH]1 34a_103549771195_100000211926 [0,2,0,0,0,0|2,0,0]=4 4877 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,2,0,0,0,0|2,0,0]=4 4878 B11R1.4 OCCOCCn1cccn1 34a_100000743371_100000211926 [0,2,0,0,0,0|2,0,0]=4 4879 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [0,2,0,0,0,0|0,2,0]=4 4880 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [0,2,0,0,0,0|0,2,0]=4 4881 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [0,2,0,0,0,0|0,1,0]=3 4882 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [0,2,0,0,0,0|0,1,0]=3 4883 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,2,0,0,0,0|1,0,0]=3 4884 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,2,0,0,0,0|1,0,0]=3 4885 B11R1.25 C#CC(C)NCc1cccs1 270004a_100000707721_100000209959 [0,2,0,0,0,0|1,1,0]=4 4886 B11R1.25 C#CC(C)NCc1cnco1 270004a_100000707721_100000064291 [0,2,0,0,0,0|2,0,0]=4 4887 B11R1.25 C#CC(C)NCc1ncco1 2230a_100000707721_103436540062 [0,2,0,0,0,0|2,0,0]=4 4888 B11R1.25 C#CC(C)NCc1ncco1 270004a_100000707721_100000064290 [0,2,0,0,0,0|2,0,0]=4 4889 B11R1.25 C#CC(C)NCc1ncco1 34a_100000707721_103436540062 [0,2,0,0,0,0|2,0,0]=4 4890 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,2,0,0,0,0|0,0,0]=2 4891 B11R1.25 C#CC(C)OCc1cccs1 34a_100000211240_200000035995 [0,2,0,0,0,0|0,1,0]=3 4892 B11R1.25 C#CC(C)OCc1ccno1 34a_100000740478_200000035995 [0,2,0,0,0,0|1,0,0]=3 4893 B11R1.25 C#CC(C)OCc1ccoc1 34a_100011215357_200000035995 [0,2,0,0,0,0|2,0,0]=4 4894 B11R1.25 C#CC(C)OCc1ccsc1 34a_100011215551_200000035995 [0,2,0,0,0,0|2,0,0]=4 4895 B11R1.25 C#CC(C)OCc1ncco1 34a_100000062594_200000035995 [0,2,0,0,0,0|1,0,0]=3 4896 B11R1.25 C#CC(C)OCn1cccn1 34a_100000731028_200000035995 [0,2,0,0,0,0|2,0,0]=4 4897 B11R1.25 C#CC(C)SCc1ncco1 62a_200000035995_103436540062 [0,2,0,0,0,0|1,1,0]=4 4898 B11R1.25 C#C[C@@H](C)OCc1c[nH]cn1 34a_100009815206_100000707719 [0,2,0,0,0,0|2,0,0]=4 4899 B11R1.25 C#C[C@@H](C)OCc1ccn[nH]1 34a_100009815206_100000728653 [0,2,0,0,0,0|2,0,0]=4 4900 B11R1.25 C#C[C@@H](C)OCc1ccn[nH]1 7a_100009815206_100000728653 [0,2,0,0,0,0|2,0,0]=4 4901 B11R1.25 C#C[C@@H](C)OCc1ccon1 34a_100009815206_100000234950 [0,2,0,0,0,0|2,0,0]=4 4902 B11R1.25 C#C[C@@H](C)OCc1ccon1 7a_100009815206_100000234950 [0,2,0,0,0,0|2,0,0]=4 4903 B11R1.25 C#C[C@@H](C)OCc1ccsc1 34a_100009815206_100011261437 [0,2,0,0,0,0|2,0,0]=4 4904 B11R1.25 C#C[C@@H](C)OCc1ccsc1 7a_100009815206_100011261437 [0,2,0,0,0,0|2,0,0]=4 4905 B11R1.25 C#C[C@@H](C)OCc1cncs1 34a_100009815206_100015185245 [0,2,0,0,0,0|1,1,0]=4 4906 B11R1.25 C#C[C@@H](C)OCc1cncs1 7a_100009815206_100015185245 [0,2,0,0,0,0|1,1,0]=4 4907 B11R1.25 C#C[C@@H](C)OCc1cscn1 34a_100009815206_100000205941 [0,2,0,0,0,0|2,0,0]=4 4908 B11R1.25 C#C[C@@H](C)OCc1cscn1 7a_100009815206_100000205941 [0,2,0,0,0,0|2,0,0]=4 4909 B11R1.25 C#C[C@@H](C)OCc1ncc[nH]1 34a_100009815206_100016991755 [0,2,0,0,0,0|2,0,0]=4 4910 B11R1.25 C#C[C@@H](C)OCc1ncc[nH]1 7a_100009815206_100000753453 [0,2,0,0,0,0|2,0,0]=4 4911 B11R1.25 C#C[C@@H](C)OCc1ncco1 34a_100009815206_103436540062 [0,2,0,0,0,0|1,0,0]=3 4912 B11R1.25 C#C[C@@H](C)OCc1ncco1 7a_100009815206_103436540062 [0,2,0,0,0,0|1,0,0]=3 4913 B11R1.25 C#C[C@@H](C)OCc1nccs1 34a_100009815206_100015184050 [0,2,0,0,0,0|1,1,0]=4 4914 B11R1.25 C#C[C@@H](C)OCc1nccs1 7a_100009815206_100015184050 [0,2,0,0,0,0|1,1,0]=4 4915 B11R1.25 C=CC(C)OCc1c[nH]cn1 34a_100000695699_100000707719 [0,2,0,0,0,0|2,0,0]=4 4916 B11R1.25 C=CC(C)OCc1ccn[nH]1 34a_100000695699_100000728653 [0,2,0,0,0,0|2,0,0]=4 4917 B11R1.25 C=CC(C)OCc1ccon1 34a_100000695699_100000234950 [0,2,0,0,0,0|2,0,0]=4 4918 B11R1.25 C=CC(C)OCc1ccsc1 34a_100000695699_100011261437 [0,2,0,0,0,0|2,0,0]=4 4919 B11R1.25 C=CC(C)OCc1cncs1 34a_100000695699_100015185245 [0,2,0,0,0,0|1,1,0]=4 4920 B11R1.25 C=CC(C)OCc1cscn1 34a_100000695699_100000205941 [0,2,0,0,0,0|2,0,0]=4 4921 B11R1.25 C=CC(C)OCc1ncc[nH]1 34a_100000695699_100016991755 [0,2,0,0,0,0|2,0,0]=4 4922 B11R1.25 C=CC(C)OCc1ncco1 34a_100000695699_103436540062 [0,2,0,0,0,0|1,0,0]=3 4923 B11R1.25 C=CC(C)OCc1nccs1 34a_100000695699_100015184050 [0,2,0,0,0,0|1,1,0]=4 4924 B11R1.25 C=CC(C)SCc1ncco1 62a_100011215867_103436540062 [0,2,0,0,0,0|1,1,0]=4 4925 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,2,0,0,0,0|1,0,0]=3 4926 B11R1.25 CC(C#N)NCc1cccs1 2230a_100000211653_100000184139 [0,2,0,0,0,0|1,1,0]=4 4927 B11R1.25 CC(C#N)NCc1ncco1 2230a_100000737613_103436540062 [0,2,0,0,0,0|2,0,0]=4 4928 B11R1.25 CC(C#N)NCc1ncco1 2230a_100016994969_100000184139 [0,2,0,0,0,0|2,0,0]=4 4929 B11R1.25 CC(C#N)OCc1c[nH]cn1 34a_100011218135_100000707719 [0,2,0,0,0,0|2,0,0]=4 4930 B11R1.25 CC(C#N)OCc1ccn[nH]1 34a_100011218135_100000728653 [0,2,0,0,0,0|2,0,0]=4 4931 B11R1.25 CC(C#N)OCc1ccon1 34a_100011218135_100000234950 [0,2,0,0,0,0|2,0,0]=4 4932 B11R1.25 CC(C#N)OCc1ccsc1 34a_100011218135_100011261437 [0,2,0,0,0,0|2,0,0]=4 4933 B11R1.25 CC(C#N)OCc1cncs1 34a_100011218135_100015185245 [0,2,0,0,0,0|1,1,0]=4 4934 B11R1.25 CC(C#N)OCc1cscn1 34a_100011218135_100000205941 [0,2,0,0,0,0|2,0,0]=4 4935 B11R1.25 CC(C#N)OCc1ncc[nH]1 34a_100011218135_100016991755 [0,2,0,0,0,0|2,0,0]=4 4936 B11R1.25 CC(C#N)OCc1ncco1 34a_100011218135_103436540062 [0,2,0,0,0,0|1,0,0]=3 4937 B11R1.25 CC(C#N)OCc1nccs1 34a_100011218135_100015184050 [0,2,0,0,0,0|1,1,0]=4 4938 B11R1.25 CC(C#N)SCc1ncco1 62a_100000703298_103436540062 [0,2,0,0,0,0|1,1,0]=4 4939 B11R1.25 CC(C#N)SCc1ncco1 62a_103436540062_100000703298 [0,2,0,0,0,0|1,1,0]=4 4940 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4941 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4942 B11R1.25 CC(CF)OCc1c[nH]cn1 34a_100016041109_100000707719 [0,2,0,0,0,0|2,0,0]=4 4943 B11R1.25 CC(CF)OCc1ccn[nH]1 34a_100016041109_100000728653 [0,2,0,0,0,0|2,0,0]=4 4944 B11R1.25 CC(CF)OCc1ccn[nH]1 7a_100016041109_100000728653 [0,2,0,0,0,0|2,0,0]=4 4945 B11R1.25 CC(CF)OCc1ccon1 34a_100016041109_100000234950 [0,2,0,0,0,0|2,0,0]=4 4946 B11R1.25 CC(CF)OCc1ccon1 7a_100016041109_100000234950 [0,2,0,0,0,0|2,0,0]=4 4947 B11R1.25 CC(CF)OCc1ccsc1 34a_100016041109_100011261437 [0,2,0,0,0,0|2,0,0]=4 4948 B11R1.25 CC(CF)OCc1ccsc1 7a_100016041109_100011261437 [0,2,0,0,0,0|2,0,0]=4 4949 B11R1.25 CC(CF)OCc1cncs1 34a_100016041109_100015185245 [0,2,0,0,0,0|1,1,0]=4 4950 B11R1.25 CC(CF)OCc1cncs1 7a_100016041109_100015185245 [0,2,0,0,0,0|1,1,0]=4 4951 B11R1.25 CC(CF)OCc1cscn1 34a_100016041109_100000205941 [0,2,0,0,0,0|2,0,0]=4 4952 B11R1.25 CC(CF)OCc1cscn1 7a_100016041109_100000205941 [0,2,0,0,0,0|2,0,0]=4 4953 B11R1.25 CC(CF)OCc1ncc[nH]1 34a_100016041109_100016991755 [0,2,0,0,0,0|2,0,0]=4 4954 B11R1.25 CC(CF)OCc1ncc[nH]1 7a_100016041109_100000753453 [0,2,0,0,0,0|2,0,0]=4 4955 B11R1.25 CC(CF)OCc1ncco1 34a_100016041109_103436540062 [0,2,0,0,0,0|1,0,0]=3 4956 B11R1.25 CC(CF)OCc1ncco1 7a_100016041109_103436540062 [0,2,0,0,0,0|1,0,0]=3 4957 B11R1.25 CC(CF)OCc1nccs1 34a_100016041109_100015184050 [0,2,0,0,0,0|1,1,0]=4 4958 B11R1.25 CC(CF)OCc1nccs1 7a_100016041109_100015184050 [0,2,0,0,0,0|1,1,0]=4 4959 B11R1.25 CC(CN)OCc1c[nH]cn1 34a_100000210904_100000707719 [0,2,0,0,0,0|2,0,0]=4 4960 B11R1.25 CC(CN)OCc1ccn[nH]1 34a_100000210904_100000728653 [0,2,0,0,0,0|2,0,0]=4 4961 B11R1.25 CC(CN)OCc1ccon1 34a_100000210904_100000234950 [0,2,0,0,0,0|2,0,0]=4 4962 B11R1.25 CC(CN)OCc1ccsc1 34a_100000210904_100011261437 [0,2,0,0,0,0|2,0,0]=4 4963 B11R1.25 CC(CN)OCc1cncs1 34a_100000210904_100015185245 [0,2,0,0,0,0|1,1,0]=4 4964 B11R1.25 CC(CN)OCc1cscn1 34a_100000210904_100000205941 [0,2,0,0,0,0|2,0,0]=4 4965 B11R1.25 CC(CN)OCc1ncc[nH]1 34a_100000210904_100016991755 [0,2,0,0,0,0|2,0,0]=4 4966 B11R1.25 CC(CN)OCc1ncco1 34a_100000210904_103436540062 [0,2,0,0,0,0|1,0,0]=3 4967 B11R1.25 CC(CN)OCc1nccs1 34a_100000210904_100015184050 [0,2,0,0,0,0|1,1,0]=4 4968 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,2,0,0,0,0|1,0,0]=3 4969 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,2,0,0,0,0|1,0,0]=3 4970 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [0,2,0,0,0,0|1,1,0]=4 4971 B11R1.25 CC(CO)NCc1ncco1 2230a_100016994969_100012180447 [0,2,0,0,0,0|2,0,0]=4 4972 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,2,0,0,0,0|0,0,0]=2 4973 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,2,0,0,0,0|0,1,0]=3 4974 B11R1.25 CC(CO)OCc1ccno1 34a_100000740478_100012180447 [0,2,0,0,0,0|1,0,0]=3 4975 B11R1.25 CC(CO)OCc1ccoc1 34a_100011215357_100012180447 [0,2,0,0,0,0|2,0,0]=4 4976 B11R1.25 CC(CO)OCc1ccsc1 34a_100011215551_100012180447 [0,2,0,0,0,0|2,0,0]=4 4977 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,2,0,0,0,0|1,0,0]=3 4978 B11R1.25 CC(CO)OCn1cccn1 34a_100000731028_100012180447 [0,2,0,0,0,0|2,0,0]=4 4979 B11R1.25 CC(CO)SCc1ncco1 62a_100012180447_103436540062 [0,2,0,0,0,0|1,1,0]=4 4980 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,2,0,0,0,0|2,0,0]=4 4981 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,2,0,0,0,0|1,0,0]=3 4982 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,2,0,0,0,0|1,1,0]=4 4983 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,2,0,0,0,0|1,1,0]=4 4984 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,2,0,0,0,0|1,0,0]=3 4985 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,2,0,0,0,0|1,0,0]=3 4986 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,2,0,0,0,0|1,1,0]=4 4987 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,2,0,0,0,0|1,1,0]=4 4988 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,2,0,0,0,0|2,0,0]=4 4989 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,2,0,0,0,0|2,0,0]=4 4990 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,2,0,0,0,0|2,0,0]=4 4991 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,2,0,0,0,0|2,0,0]=4 4992 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4993 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4994 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,2,0,0,0,0|2,0,0]=4 4995 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 4996 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 4997 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 4998 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,2,0,0,0,0|1,0,0]=3 4999 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 5000 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 5001 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 5002 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,2,0,0,0,0|1,1,0]=4 5003 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,2,0,0,0,0|2,0,0]=4 5004 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,2,0,0,0,0|2,0,0]=4 5005 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,2,0,0,0,0|2,0,0]=4 5006 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 5007 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 5008 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 5009 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,2,0,0,0,0|2,0,0]=4 5010 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,2,0,0,0,0|1,0,0]=3 5011 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,2,0,0,0,0|1,0,0]=3 5012 B11R1.25 CCC(C)CSc1cccs1 62a_100000748023_100011215356 [0,2,0,0,0,0|1,1,0]=4 5013 B11R1.25 CCC(C)CSc1cccs1 62a_100011215356_100000748023 [0,2,0,0,0,0|1,1,0]=4 5014 B11R1.25 CCC(C)CSc1cnco1 62a_100000748023_100020591547 [0,2,0,0,0,0|2,0,0]=4 5015 B11R1.25 CCC(C)CSc1cnco1 62a_100020591547_100000748023 [0,2,0,0,0,0|2,0,0]=4 5016 B11R1.25 CCC(C)CSc1ncco1 62a_100000748023_100011787736 [0,2,0,0,0,0|2,0,0]=4 5017 B11R1.25 CCC(C)CSc1ncco1 62a_100011787736_100000748023 [0,2,0,0,0,0|2,0,0]=4 5018 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,2,0,0,0,0|1,0,0]=3 5019 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,2,0,0,0,0|1,0,0]=3 5020 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,2,0,0,0,0|1,0,0]=3 5021 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,2,0,0,0,0|1,0,0]=3 5022 B11R1.25 CCC(C)NCc1cccs1 207a_100000209981_100000209959 [0,2,0,0,0,0|1,1,0]=4 5023 B11R1.25 CCC(C)NCc1cccs1 2230a_100000211653_100000758301 [0,2,0,0,0,0|1,1,0]=4 5024 B11R1.25 CCC(C)NCc1cccs1 270004a_100000209981_100000209959 [0,2,0,0,0,0|1,1,0]=4 5025 B11R1.25 CCC(C)NCc1cnco1 270004a_100000209981_100000064291 [0,2,0,0,0,0|2,0,0]=4 5026 B11R1.25 CCC(C)NCc1ncco1 2230a_100000209981_103436540062 [0,2,0,0,0,0|2,0,0]=4 5027 B11R1.25 CCC(C)NCc1ncco1 2230a_100016994969_100000758301 [0,2,0,0,0,0|2,0,0]=4 5028 B11R1.25 CCC(C)NCc1ncco1 270004a_100000209981_100000064290 [0,2,0,0,0,0|2,0,0]=4 5029 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,2,0,0,0,0|0,0,0]=2 5030 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,2,0,0,0,0|0,1,0]=3 5031 B11R1.25 CCC(C)OCc1ccn[nH]1 7a_100000210228_100000728653 [0,2,0,0,0,0|2,0,0]=4 5032 B11R1.25 CCC(C)OCc1ccno1 34a_100000740478_100011215416 [0,2,0,0,0,0|1,0,0]=3 5033 B11R1.25 CCC(C)OCc1ccoc1 34a_100011215357_100011215416 [0,2,0,0,0,0|2,0,0]=4 5034 B11R1.25 CCC(C)OCc1ccon1 7a_100000210228_100000234950 [0,2,0,0,0,0|2,0,0]=4 5035 B11R1.25 CCC(C)OCc1ccsc1 34a_100011215551_100011215416 [0,2,0,0,0,0|2,0,0]=4 5036 B11R1.25 CCC(C)OCc1ccsc1 7a_100000210228_100011261437 [0,2,0,0,0,0|2,0,0]=4 5037 B11R1.25 CCC(C)OCc1cncs1 7a_100000210228_100015185245 [0,2,0,0,0,0|1,1,0]=4 5038 B11R1.25 CCC(C)OCc1cscn1 7a_100000210228_100000205941 [0,2,0,0,0,0|2,0,0]=4 5039 B11R1.25 CCC(C)OCc1ncc[nH]1 7a_100000210228_100000753453 [0,2,0,0,0,0|2,0,0]=4 5040 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,2,0,0,0,0|1,0,0]=3 5041 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,2,0,0,0,0|1,0,0]=3 5042 B11R1.25 CCC(C)OCc1nccs1 7a_100000210228_100015184050 [0,2,0,0,0,0|1,1,0]=4 5043 B11R1.25 CCC(C)OCn1cccn1 34a_100000731028_100011215416 [0,2,0,0,0,0|2,0,0]=4 5044 B11R1.25 CCC(C)SCc1ncco1 62a_100000758301_103436540062 [0,2,0,0,0,0|1,1,0]=4 5045 B11R1.25 CCC(C)SCc1ncco1 62a_103436540062_100000758301 [0,2,0,0,0,0|1,1,0]=4 5046 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,2,0,0,0,0|1,0,0]=3 5047 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,2,0,0,0,0|1,0,0]=3 5048 B11R1.25 CCC(O)CSc1cccs1 62a_100011215356_100011218378 [0,2,0,0,0,0|1,1,0]=4 5049 B11R1.25 CCC(O)CSc1cccs1 62a_100011218378_100011215356 [0,2,0,0,0,0|1,1,0]=4 5050 B11R1.25 CCC(O)CSc1cnco1 62a_100011218378_100020591547 [0,2,0,0,0,0|2,0,0]=4 5051 B11R1.25 CCC(O)CSc1cnco1 62a_100020591547_100011218378 [0,2,0,0,0,0|2,0,0]=4 5052 B11R1.25 CCC(O)CSc1ncco1 62a_100011218378_100011787736 [0,2,0,0,0,0|2,0,0]=4 5053 B11R1.25 CCC(O)CSc1ncco1 62a_100011787736_100011218378 [0,2,0,0,0,0|2,0,0]=4 5054 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,2,0,0,0,0|1,1,0]=4 5055 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,2,0,0,0,0|1,1,0]=4 5056 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,2,0,0,0,0|1,0,0]=3 5057 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,2,0,0,0,0|1,0,0]=3 5058 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100009816398_100011215356 [0,2,0,0,0,0|1,1,0]=4 5059 B11R1.25 CC[C@H](C)CSc1cccs1 62a_100011215356_100009816398 [0,2,0,0,0,0|1,1,0]=4 5060 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100009816398_100020591547 [0,2,0,0,0,0|2,0,0]=4 5061 B11R1.25 CC[C@H](C)CSc1cnco1 62a_100020591547_100009816398 [0,2,0,0,0,0|2,0,0]=4 5062 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100009816398_100011787736 [0,2,0,0,0,0|2,0,0]=4 5063 B11R1.25 CC[C@H](C)CSc1ncco1 62a_100011787736_100009816398 [0,2,0,0,0,0|2,0,0]=4 5064 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,2,0,0,0,0|1,0,1]=4 5065 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,2,0,0,0,0|1,0,1]=4 5066 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,2,0,0,0,0|1,0,1]=4 5067 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,2,0,0,0,0|2,0,0]=4 5068 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,2,0,0,0,0|2,0,0]=4 5069 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,2,0,0,0,0|1,0,1]=4 5070 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,2,0,0,0,0|1,0,1]=4 5071 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,2,0,0,0,0|1,0,1]=4 5072 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,2,0,0,0,0|1,0,1]=4 5073 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,2,0,0,0,0|1,0,1]=4 5074 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,2,0,0,0,0|1,0,0]=3 5075 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,2,0,0,0,0|1,0,0]=3 5076 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,2,0,0,0,0|2,0,0]=4 5077 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,2,0,0,0,0|2,0,0]=4 5078 B11R1.25 COC(C)SCc1ncco1 62a_100009879195_103436540062 [0,2,0,0,0,0|1,1,0]=4 5079 B11R1.25 COC(C)SCc1ncco1 62a_103436540062_100009879195 [0,2,0,0,0,0|1,1,0]=4 5080 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,2,0,0,0,0|2,0,0]=4 5081 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,2,0,0,0,0|2,0,0]=4 5082 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,2,0,0,0,0|1,0,0]=3 5083 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,2,0,0,0,0|1,0,0]=3 5084 B11R1.25 C[C@H](CF)NCc1cccs1 207a_100102880703_100000209959 [0,2,0,0,0,0|1,1,0]=4 5085 B11R1.25 C[C@H](CF)NCc1cccs1 270004a_100102880703_100000209959 [0,2,0,0,0,0|1,1,0]=4 5086 B11R1.25 C[C@H](CF)NCc1cnco1 270004a_100102880703_100000064291 [0,2,0,0,0,0|2,0,0]=4 5087 B11R1.25 C[C@H](CF)NCc1ncco1 270004a_100102880703_100000064290 [0,2,0,0,0,0|2,0,0]=4 5088 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,2,0,0,0,0|1,0,0]=3 5089 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,2,0,0,0,0|1,0,0]=3 5090 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [0,2,0,0,0,0|1,1,0]=4 5091 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [0,2,0,0,0,0|1,1,0]=4 5092 B11R1.25 C[C@H](CO)NCc1cnco1 270004a_100000737577_100000064291 [0,2,0,0,0,0|2,0,0]=4 5093 B11R1.25 C[C@H](CO)NCc1ncco1 2230a_100000737577_103436540062 [0,2,0,0,0,0|2,0,0]=4 5094 B11R1.25 C[C@H](CO)NCc1ncco1 270004a_100000737577_100000064290 [0,2,0,0,0,0|2,0,0]=4 5095 B11R1.25 C[C@H](CO)SCc1ncco1 62a_100016084084_103436540062 [0,2,0,0,0,0|1,1,0]=4 5096 B11R1.25 C[C@H](CO)SCc1ncco1 62a_103436540062_100016084084 [0,2,0,0,0,0|1,1,0]=4 5097 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,2,0,0,0,0|1,0,1]=4 5098 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,2,0,0,0,0|1,0,1]=4 5099 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,2,0,0,0,0|1,0,1]=4 5100 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,2,0,0,0,0|2,0,0]=4 5101 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,2,0,0,0,0|2,0,0]=4 5102 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,2,0,0,0,0|2,0,0]=4 5103 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,2,0,0,0,0|2,0,0]=4 5104 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,2,0,0,0,0|2,0,0]=4 5105 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,2,0,0,0,0|2,0,0]=4 5106 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,2,0,0,0,0|1,0,1]=4 5107 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000185268_100000038162 [0,2,0,0,0,0|1,0,1]=4 5108 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000746299_200000210301 [0,2,0,0,0,0|1,0,1]=4 5109 B11R1.30 C#CCN(C)Cc1ccco1 270004a_100000225692_100000186105 [0,2,0,0,0,0|1,0,1]=4 5110 B11R1.30 C#CCN(C)Cc1ccco1 34a_100000746299_200000210301 [0,2,0,0,0,0|1,0,1]=4 5111 B11R1.30 C#CCN([13CH3])Cc1ccco1 2230a_100000746299_200025704644 [0,2,0,0,0,0|1,0,1]=4 5112 B11R1.30 C#CCN([13CH3])Cc1ccco1 34a_100000746299_200025704644 [0,2,0,0,0,0|1,0,1]=4 5113 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,2,0,0,0,0|1,0,1]=4 5114 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [0,2,0,0,0,0|1,0,1]=4 5115 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [0,2,0,0,0,0|1,0,1]=4 5116 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [0,2,0,0,0,0|1,0,1]=4 5117 B11R1.30 CC(CCO)Sc1ccco1 62a_100009814098_100009893172 [0,2,0,0,0,0|2,0,0]=4 5118 B11R1.30 CC(CCO)Sc1ccco1 62a_100009893172_100009814098 [0,2,0,0,0,0|2,0,0]=4 5119 B11R1.30 CC(Cc1ccco1)OCF 34a_100011803939_100015361967 [0,2,0,0,0,0|1,0,0]=3 5120 B11R1.30 CC(Cc1ccco1)OCF 7a_100011803939_100015361967 [0,2,0,0,0,0|1,0,0]=3 5121 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,2,0,0,0,0|2,0,0]=4 5122 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,2,0,0,0,0|1,0,0]=3 5123 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,2,0,0,0,0|1,1,0]=4 5124 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,2,0,0,0,0|2,0,0]=4 5125 B11R1.30 CCCC(C)Sc1ccco1 62a_100000766640_100009814098 [0,2,0,0,0,0|1,0,0]=3 5126 B11R1.30 CCCC(C)Sc1ccco1 62a_100009814098_100000766640 [0,2,0,0,0,0|1,0,0]=3 5127 B11R1.30 CCCC(C)Sc1cccs1 62a_100000766640_100011215356 [0,2,0,0,0,0|1,1,0]=4 5128 B11R1.30 CCCC(C)Sc1cccs1 62a_100011215356_100000766640 [0,2,0,0,0,0|1,1,0]=4 5129 B11R1.30 CCCC(C)Sc1cnco1 62a_100000766640_100020591547 [0,2,0,0,0,0|2,0,0]=4 5130 B11R1.30 CCCC(C)Sc1cnco1 62a_100020591547_100000766640 [0,2,0,0,0,0|2,0,0]=4 5131 B11R1.30 CCCC(C)Sc1ncco1 62a_100000766640_100011787736 [0,2,0,0,0,0|2,0,0]=4 5132 B11R1.30 CCCC(C)Sc1ncco1 62a_100011787736_100000766640 [0,2,0,0,0,0|2,0,0]=4 5133 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,2,0,0,0,0|1,0,0]=3 5134 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,2,0,0,0,0|1,0,0]=3 5135 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,2,0,0,0,0|1,0,0]=3 5136 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,2,0,0,0,0|1,0,0]=3 5137 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,2,0,0,0,0|1,0,0]=3 5138 B11R1.30 CCCN(C)Cc1cccs1 2230a_100000184426_100000210303 [0,2,0,0,0,0|1,1,0]=4 5139 B11R1.30 CCCN(C)Cc1cccs1 2230a_200000186944_200000210301 [0,2,0,0,0,0|1,1,0]=4 5140 B11R1.30 CCCN(C)Cc1cccs1 269982a_100000184426_100000210303 [0,2,0,0,0,0|1,1,0]=4 5141 B11R1.30 CCCN(C)Cc1cccs1 269982a_200000186944_200000210301 [0,2,0,0,0,0|1,1,0]=4 5142 B11R1.30 CCCN(C)Cc1cccs1 270004a_100000747261_100000209959 [0,2,0,0,0,0|1,1,0]=4 5143 B11R1.30 CCCN(C)Cc1cnco1 270004a_100000747261_100000064291 [0,2,0,0,0,0|2,0,0]=4 5144 B11R1.30 CCCN(C)Cc1ncco1 2230a_100000747261_103436540062 [0,2,0,0,0,0|2,0,0]=4 5145 B11R1.30 CCCN(C)Cc1ncco1 269982a_100000747261_103436540062 [0,2,0,0,0,0|2,0,0]=4 5146 B11R1.30 CCCN(C)Cc1ncco1 270004a_100000747261_100000064290 [0,2,0,0,0,0|2,0,0]=4 5147 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,2,0,0,0,0|1,0,0]=3 5148 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,2,0,0,0,0|1,0,0]=3 5149 B11R1.30 CCCN([13CH3])Cc1cccs1 2230a_200000186944_200025704644 [0,2,0,0,0,0|1,1,0]=4 5150 B11R1.30 CCCN([13CH3])Cc1cccs1 269982a_200000186944_200025704644 [0,2,0,0,0,0|1,1,0]=4 5151 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,2,0,0,0,0|2,0,0]=4 5152 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,2,0,0,0,0|2,0,0]=4 5153 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,2,0,0,0,0|2,0,0]=4 5154 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,2,0,0,0,0|1,0,0]=3 5155 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,2,0,0,0,0|1,0,0]=3 5156 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,2,0,0,0,0|1,1,0]=4 5157 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,2,0,0,0,0|1,1,0]=4 5158 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,2,0,0,0,0|1,0,0]=3 5159 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,2,0,0,0,0|1,1,0]=4 5160 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,2,0,0,0,0|0,0,0]=2 5161 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,2,0,0,0,0|0,0,0]=2 5162 B11R1.30 CN(CC#N)Cc1ccco1 2230a_100000185268_100011215382 [0,2,0,0,0,0|1,0,1]=4 5163 B11R1.30 CN(CC#N)Cc1ccco1 269982a_100000185268_100011214920 [0,2,0,0,0,0|1,0,1]=4 5164 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,2,0,0,0,0|1,0,1]=4 5165 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,2,0,0,0,0|1,0,1]=4 5166 B11R1.30 CN(CCF)Cc1ccco1 2230a_100000185268_100011217306 [0,2,0,0,0,0|1,0,0]=3 5167 B11R1.30 CN(CCF)Cc1ccco1 269982a_100000185268_100011217306 [0,2,0,0,0,0|1,0,0]=3 5168 B11R1.30 CN(CCF)Cc1cccs1 2230a_100000184426_100011217306 [0,2,0,0,0,0|1,1,0]=4 5169 B11R1.30 CN(CCF)Cc1cccs1 269982a_100000184426_100011217306 [0,2,0,0,0,0|1,1,0]=4 5170 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000185268_100000211926 [0,2,0,0,0,0|1,0,0]=3 5171 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000200452_200000210301 [0,2,0,0,0,0|1,0,0]=3 5172 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000185268_100000211926 [0,2,0,0,0,0|1,0,0]=3 5173 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000200452_200000210301 [0,2,0,0,0,0|1,0,0]=3 5174 B11R1.30 CN(CCO)Cc1ccco1 270004a_100000210263_100000186105 [0,2,0,0,0,0|1,0,0]=3 5175 B11R1.30 CN(CCO)Cc1cccs1 2230a_100000184426_100000211926 [0,2,0,0,0,0|1,1,0]=4 5176 B11R1.30 CN(CCO)Cc1cccs1 2230a_200000200436_200000210301 [0,2,0,0,0,0|1,1,0]=4 5177 B11R1.30 CN(CCO)Cc1cccs1 269982a_100000184426_100000211926 [0,2,0,0,0,0|1,1,0]=4 5178 B11R1.30 CN(CCO)Cc1cccs1 269982a_200000200436_200000210301 [0,2,0,0,0,0|1,1,0]=4 5179 B11R1.30 CN(CCO)Cc1cccs1 270004a_100000210263_100000209959 [0,2,0,0,0,0|1,1,0]=4 5180 B11R1.30 CN(CCO)Cc1cnco1 270004a_100000210263_100000064291 [0,2,0,0,0,0|2,0,0]=4 5181 B11R1.30 CN(CCO)Cc1ncco1 2230a_100000210263_103436540062 [0,2,0,0,0,0|2,0,0]=4 5182 B11R1.30 CN(CCO)Cc1ncco1 269982a_100000210263_103436540062 [0,2,0,0,0,0|2,0,0]=4 5183 B11R1.30 CN(CCO)Cc1ncco1 270004a_100000210263_100000064290 [0,2,0,0,0,0|2,0,0]=4 5184 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,2,0,0,0,0|2,0,0]=4 5185 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,2,0,0,0,0|2,0,0]=4 5186 B11R1.30 COCC(C)Sc1ccco1 62a_100000765312_100009814098 [0,2,0,0,0,0|2,0,0]=4 5187 B11R1.30 COCC(C)Sc1ccco1 62a_100009814098_100000765312 [0,2,0,0,0,0|2,0,0]=4 5188 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [0,2,0,0,0,0|1,0,0]=3 5189 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [0,2,0,0,0,0|1,0,0]=3 5190 B11R1.30 COCN(C)Cc1cccs1 2230a_100000184426_100000766300 [0,2,0,0,0,0|1,1,0]=4 5191 B11R1.30 COCN(C)Cc1cccs1 269982a_100000184426_100000766300 [0,2,0,0,0,0|1,1,0]=4 5192 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,2,0,0,0,0|2,0,0]=4 5193 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,2,0,0,0,0|1,0,0]=3 5194 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,2,0,0,0,0|1,0,0]=3 5195 B11R1.30 CSCN(C)Cc1cccs1 2230a_100000184426_100011218213 [0,2,0,0,0,0|1,1,0]=4 5196 B11R1.30 CSCN(C)Cc1cccs1 269982a_100000184426_100011218213 [0,2,0,0,0,0|1,1,0]=4 5197 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,2,0,0,0,0|1,0,1]=4 5198 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,2,0,0,0,0|2,0,0]=4 5199 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,2,0,0,0,0|1,0,0]=3 5200 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,2,0,0,0,0|1,1,0]=4 5201 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,2,0,0,0,0|2,0,0]=4 5202 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,2,0,0,0,0|1,0,0]=3 5203 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,2,0,0,0,0|1,1,0]=4 5204 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,2,0,0,0,0|2,0,0]=4 5205 B11R1.30 [13CH3]N(CCO)Cc1ccco1 2230a_100000200452_200025704644 [0,2,0,0,0,0|1,0,0]=3 5206 B11R1.30 [13CH3]N(CCO)Cc1ccco1 269982a_100000200452_200025704644 [0,2,0,0,0,0|1,0,0]=3 5207 B11R1.30 [13CH3]N(CCO)Cc1cccs1 2230a_200000200436_200025704644 [0,2,0,0,0,0|1,1,0]=4 5208 B11R1.30 [13CH3]N(CCO)Cc1cccs1 269982a_200000200436_200025704644 [0,2,0,0,0,0|1,1,0]=4 5209 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,2,0,0,0,0|1,0,1]=4 5210 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,2,0,0,0,0|1,0,1]=4 5211 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,2,0,0,0,0|1,0,0]=3 5212 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,2,0,0,0,0|1,0,0]=3 5213 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,2,0,0,0,0|1,1,0]=4 5214 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,2,0,0,0,0|2,0,0]=4 5215 B11R1.172 C=C(C)COCc1c[nH]cn1 34a_100000210245_100000707719 [0,2,0,0,0,0|2,0,0]=4 5216 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,2,0,0,0,0|0,0,0]=2 5217 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,2,0,0,0,0|0,1,0]=3 5218 B11R1.172 C=C(C)COCc1ccn[nH]1 34a_100000210245_100000728653 [0,2,0,0,0,0|2,0,0]=4 5219 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,2,0,0,0,0|1,0,0]=3 5220 B11R1.172 C=C(C)COCc1ccoc1 34a_100011215357_100000748629 [0,2,0,0,0,0|2,0,0]=4 5221 B11R1.172 C=C(C)COCc1ccon1 34a_100000210245_100000234950 [0,2,0,0,0,0|2,0,0]=4 5222 B11R1.172 C=C(C)COCc1ccsc1 34a_100000210245_100011261437 [0,2,0,0,0,0|2,0,0]=4 5223 B11R1.172 C=C(C)COCc1ccsc1 34a_100011215551_100000748629 [0,2,0,0,0,0|2,0,0]=4 5224 B11R1.172 C=C(C)COCc1cncs1 34a_100000210245_100015185245 [0,2,0,0,0,0|1,1,0]=4 5225 B11R1.172 C=C(C)COCc1cscn1 34a_100000210245_100000205941 [0,2,0,0,0,0|2,0,0]=4 5226 B11R1.172 C=C(C)COCc1ncc[nH]1 34a_100000210245_100016991755 [0,2,0,0,0,0|2,0,0]=4 5227 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,2,0,0,0,0|1,0,0]=3 5228 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,2,0,0,0,0|1,0,0]=3 5229 B11R1.172 C=C(C)COCc1nccs1 34a_100000210245_100015184050 [0,2,0,0,0,0|1,1,0]=4 5230 B11R1.172 C=C(C)COCn1cccn1 34a_100000731028_100000748629 [0,2,0,0,0,0|2,0,0]=4 5231 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,2,0,0,0,0|1,1,0]=4 5232 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,2,0,0,0,0|1,1,0]=4 5233 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,2,0,0,0,0|1,0,1]=4 5234 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,2,0,0,0,0|1,0,1]=4 5235 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,2,0,0,0,0|0,0,1]=3 5236 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [0,2,0,0,0,0|0,1,1]=4 5237 B11R1.172 C=C(F)COCc1ccno1 34a_100000740478_100009893438 [0,2,0,0,0,0|1,0,1]=4 5238 B11R1.172 C=C(F)COCc1ncco1 34a_100000062594_100009893438 [0,2,0,0,0,0|1,0,1]=4 5239 B11R1.172 C=C(F)COCc1ncco1 34a_200010262243_103436540062 [0,2,0,0,0,0|1,0,1]=4 5240 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,2,0,0,0,0|1,0,1]=4 5241 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,2,0,0,0,0|1,0,1]=4 5242 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,2,0,0,0,0|1,1,0]=4 5243 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,2,0,0,0,0|1,1,0]=4 5244 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,2,0,0,0,0|1,0,1]=4 5245 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,2,0,0,0,0|1,0,1]=4 5246 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,2,0,0,0,0|2,0,0]=4 5247 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,2,0,0,0,0|2,0,0]=4 5248 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,2,0,0,0,0|2,0,0]=4 5249 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,2,0,0,0,0|2,0,0]=4 5250 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,2,0,0,0,0|1,1,0]=4 5251 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,2,0,0,0,0|2,0,0]=4 5252 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,2,0,0,0,0|2,0,0]=4 5253 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,2,0,0,0,0|1,0,0]=3 5254 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,2,0,0,0,0|1,1,0]=4 5255 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,2,0,0,0,0|1,0,1]=4 5256 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,2,0,0,0,0|1,0,1]=4 5257 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,2,0,0,0,0|1,0,1]=4 5258 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,2,0,0,0,0|1,0,1]=4 5259 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,2,0,0,0,0|0,0,1]=3 5260 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,2,0,0,0,0|0,0,1]=3 5261 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,2,0,0,0,0|0,1,1]=4 5262 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,2,0,0,0,0|0,1,1]=4 5263 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,2,0,0,0,0|1,0,1]=4 5264 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,2,0,0,0,0|1,0,1]=4 5265 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,2,0,0,0,0|1,0,1]=4 5266 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,2,0,0,0,0|1,0,1]=4 5267 B11R1.172 CC(Br)COCc1c[nH]cn1 34a_100012180447_100000707719 [0,2,0,0,0,0|2,0,0]=4 5268 B11R1.172 CC(Br)COCc1ccn[nH]1 34a_100012180447_100000728653 [0,2,0,0,0,0|2,0,0]=4 5269 B11R1.172 CC(Br)COCc1ccon1 34a_100012180447_100000234950 [0,2,0,0,0,0|2,0,0]=4 5270 B11R1.172 CC(Br)COCc1ccsc1 34a_100012180447_100011261437 [0,2,0,0,0,0|2,0,0]=4 5271 B11R1.172 CC(Br)COCc1cncs1 34a_100012180447_100015185245 [0,2,0,0,0,0|1,1,0]=4 5272 B11R1.172 CC(Br)COCc1cscn1 34a_100012180447_100000205941 [0,2,0,0,0,0|2,0,0]=4 5273 B11R1.172 CC(Br)COCc1ncc[nH]1 34a_100012180447_100016991755 [0,2,0,0,0,0|2,0,0]=4 5274 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,2,0,0,0,0|1,0,0]=3 5275 B11R1.172 CC(Br)COCc1nccs1 34a_100012180447_100015184050 [0,2,0,0,0,0|1,1,0]=4 5276 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,2,0,0,0,0|1,0,1]=4 5277 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,2,0,0,0,0|1,0,0]=3 5278 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,2,0,0,0,0|1,0,0]=3 5279 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,2,0,0,0,0|1,1,0]=4 5280 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,2,0,0,0,0|1,1,0]=4 5281 B11R1.172 CC(C)CCSc1cnco1 62a_100000210312_100020591547 [0,2,0,0,0,0|2,0,0]=4 5282 B11R1.172 CC(C)CCSc1cnco1 62a_100020591547_100000210312 [0,2,0,0,0,0|2,0,0]=4 5283 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [0,2,0,0,0,0|2,0,0]=4 5284 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [0,2,0,0,0,0|2,0,0]=4 5285 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,2,0,0,0,0|1,0,0]=3 5286 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,2,0,0,0,0|1,0,0]=3 5287 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,2,0,0,0,0|1,0,0]=3 5288 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,2,0,0,0,0|1,0,0]=3 5289 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,2,0,0,0,0|1,0,0]=3 5290 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,2,0,0,0,0|1,1,0]=4 5291 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,2,0,0,0,0|1,1,0]=4 5292 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,2,0,0,0,0|1,1,0]=4 5293 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,2,0,0,0,0|1,1,0]=4 5294 B11R1.172 CC(C)CNCc1cnco1 270004a_100000210953_100000064291 [0,2,0,0,0,0|2,0,0]=4 5295 B11R1.172 CC(C)CNCc1cnco1 270004a_100020634212_100000210432 [0,2,0,0,0,0|2,0,0]=4 5296 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,2,0,0,0,0|2,0,0]=4 5297 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,2,0,0,0,0|2,0,0]=4 5298 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,2,0,0,0,0|2,0,0]=4 5299 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,2,0,0,0,0|2,0,0]=4 5300 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,2,0,0,0,0|2,0,0]=4 5301 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,2,0,0,0,0|0,0,0]=2 5302 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,2,0,0,0,0|0,1,0]=3 5303 B11R1.172 CC(C)COCc1ccn[nH]1 34a_100000210257_100000728653 [0,2,0,0,0,0|2,0,0]=4 5304 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,2,0,0,0,0|1,0,0]=3 5305 B11R1.172 CC(C)COCc1ccoc1 34a_100011215357_100000210624 [0,2,0,0,0,0|2,0,0]=4 5306 B11R1.172 CC(C)COCc1ccon1 34a_100000210257_100000234950 [0,2,0,0,0,0|2,0,0]=4 5307 B11R1.172 CC(C)COCc1ccsc1 34a_100000210257_100011261437 [0,2,0,0,0,0|2,0,0]=4 5308 B11R1.172 CC(C)COCc1ccsc1 34a_100011215551_100000210624 [0,2,0,0,0,0|2,0,0]=4 5309 B11R1.172 CC(C)COCc1cncs1 34a_100000210257_100015185245 [0,2,0,0,0,0|1,1,0]=4 5310 B11R1.172 CC(C)COCc1cscn1 34a_100000210257_100000205941 [0,2,0,0,0,0|2,0,0]=4 5311 B11R1.172 CC(C)COCc1ncc[nH]1 34a_100000210257_100016991755 [0,2,0,0,0,0|2,0,0]=4 5312 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,2,0,0,0,0|1,0,0]=3 5313 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,2,0,0,0,0|1,0,0]=3 5314 B11R1.172 CC(C)COCc1nccs1 34a_100000210257_100015184050 [0,2,0,0,0,0|1,1,0]=4 5315 B11R1.172 CC(C)COCn1cccn1 34a_100000731028_100000210624 [0,2,0,0,0,0|2,0,0]=4 5316 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,2,0,0,0,0|1,1,0]=4 5317 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,2,0,0,0,0|1,1,0]=4 5318 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,2,0,0,0,0|1,0,0]=3 5319 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,2,0,0,0,0|1,0,0]=3 5320 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,2,0,0,0,0|1,1,0]=4 5321 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,2,0,0,0,0|1,1,0]=4 5322 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,2,0,0,0,0|1,1,0]=4 5323 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,2,0,0,0,0|1,1,0]=4 5324 B11R1.172 CC(C)NN=Cc1ccco1 4a_100000741168_100000186105 [0,2,0,0,0,0|1,0,1]=4 5325 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,2,0,0,0,0|0,1,0]=3 5326 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,2,0,0,0,0|0,1,0]=3 5327 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,2,0,0,0,0|0,1,0]=3 5328 B11R1.172 CC(C)OCCc1ccsc1 34a_100000748821_100000210206 [0,2,0,0,0,0|2,0,0]=4 5329 B11R1.172 CC(C)OCCc1ncc[nH]1 34a_103549771195_100000210206 [0,2,0,0,0,0|2,0,0]=4 5330 B11R1.172 CC(C)OCCn1cccc1 34a_100000179382_100000210206 [0,2,0,0,0,0|2,0,0]=4 5331 B11R1.172 CC(C)OCCn1cccn1 34a_100000212225_100015204718 [0,2,0,0,0,0|2,0,0]=4 5332 B11R1.172 CC(C)OCCn1cccn1 34a_100000743371_100000210206 [0,2,0,0,0,0|2,0,0]=4 5333 B11R1.172 CC(C)OCOc1ccsc1 34a_100000106738_100000709892 [0,2,0,0,0,0|2,0,0]=4 5334 B11R1.172 CC(C)OCSc1c[nH]cn1 62a_100000709892_100000756875 [0,2,0,0,0,0|2,0,0]=4 5335 B11R1.172 CC(C)OCSc1c[nH]cn1 62a_100000756875_100000709892 [0,2,0,0,0,0|2,0,0]=4 5336 B11R1.172 CC(C)OCSc1cc[nH]n1 62a_100000062575_100000709892 [0,2,0,0,0,0|2,0,0]=4 5337 B11R1.172 CC(C)OCSc1cc[nH]n1 62a_100000709892_100000062575 [0,2,0,0,0,0|2,0,0]=4 5338 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,2,0,0,0,0|0,0,0]=2 5339 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,2,0,0,0,0|0,0,0]=2 5340 B11R1.172 CC(C)OCSc1cccs1 62a_100000709892_100011215356 [0,2,0,0,0,0|0,1,0]=3 5341 B11R1.172 CC(C)OCSc1cccs1 62a_100011215356_100000709892 [0,2,0,0,0,0|0,1,0]=3 5342 B11R1.172 CC(C)OCSc1ccoc1 62a_100000709892_100011215275 [0,2,0,0,0,0|2,0,0]=4 5343 B11R1.172 CC(C)OCSc1ccoc1 62a_100011215275_100000709892 [0,2,0,0,0,0|2,0,0]=4 5344 B11R1.172 CC(C)OCSc1ccon1 62a_100000709892_100009818083 [0,2,0,0,0,0|2,0,0]=4 5345 B11R1.172 CC(C)OCSc1ccon1 62a_100009818083_100000709892 [0,2,0,0,0,0|2,0,0]=4 5346 B11R1.172 CC(C)OCSc1ccsc1 62a_100000709892_100000738268 [0,2,0,0,0,0|2,0,0]=4 5347 B11R1.172 CC(C)OCSc1ccsc1 62a_100000738268_100000709892 [0,2,0,0,0,0|2,0,0]=4 5348 B11R1.172 CC(C)OCSc1ccsn1 62a_100000709892_100009818082 [0,2,0,0,0,0|2,0,0]=4 5349 B11R1.172 CC(C)OCSc1ccsn1 62a_100009818082_100000709892 [0,2,0,0,0,0|2,0,0]=4 5350 B11R1.172 CC(C)OCSc1cnco1 62a_100000709892_100020591547 [0,2,0,0,0,0|1,0,0]=3 5351 B11R1.172 CC(C)OCSc1cnco1 62a_100020591547_100000709892 [0,2,0,0,0,0|1,0,0]=3 5352 B11R1.172 CC(C)OCSc1cncs1 62a_100000709892_100011934649 [0,2,0,0,0,0|1,1,0]=4 5353 B11R1.172 CC(C)OCSc1cncs1 62a_100011934649_100000709892 [0,2,0,0,0,0|1,1,0]=4 5354 B11R1.172 CC(C)OCSc1cscn1 62a_100000709892_100000751502 [0,2,0,0,0,0|2,0,0]=4 5355 B11R1.172 CC(C)OCSc1cscn1 62a_100000751502_100000709892 [0,2,0,0,0,0|2,0,0]=4 5356 B11R1.172 CC(C)OCSc1ncc[nH]1 62a_100000709892_100025796157 [0,2,0,0,0,0|2,0,0]=4 5357 B11R1.172 CC(C)OCSc1ncc[nH]1 62a_100025796157_100000709892 [0,2,0,0,0,0|2,0,0]=4 5358 B11R1.172 CC(C)OCSc1ncco1 62a_100000709892_100011787736 [0,2,0,0,0,0|1,0,0]=3 5359 B11R1.172 CC(C)OCSc1ncco1 62a_100011787736_100000709892 [0,2,0,0,0,0|1,0,0]=3 5360 B11R1.172 CC(C)OCSc1nccs1 62a_100000211983_100000709892 [0,2,0,0,0,0|1,1,0]=4 5361 B11R1.172 CC(C)OCSc1nccs1 62a_100000709892_100000211983 [0,2,0,0,0,0|1,1,0]=4 5362 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,2,0,0,0,0|0,2,0]=4 5363 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,2,0,0,0,0|0,2,0]=4 5364 B11R1.172 CC(F)COCc1c[nH]cn1 34a_100015925927_100000707719 [0,2,0,0,0,0|2,0,0]=4 5365 B11R1.172 CC(F)COCc1ccn[nH]1 34a_100015925927_100000728653 [0,2,0,0,0,0|2,0,0]=4 5366 B11R1.172 CC(F)COCc1ccon1 34a_100015925927_100000234950 [0,2,0,0,0,0|2,0,0]=4 5367 B11R1.172 CC(F)COCc1ccsc1 34a_100015925927_100011261437 [0,2,0,0,0,0|2,0,0]=4 5368 B11R1.172 CC(F)COCc1cncs1 34a_100015925927_100015185245 [0,2,0,0,0,0|1,1,0]=4 5369 B11R1.172 CC(F)COCc1cscn1 34a_100015925927_100000205941 [0,2,0,0,0,0|2,0,0]=4 5370 B11R1.172 CC(F)COCc1ncc[nH]1 34a_100015925927_100016991755 [0,2,0,0,0,0|2,0,0]=4 5371 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,2,0,0,0,0|1,0,0]=3 5372 B11R1.172 CC(F)COCc1nccs1 34a_100015925927_100015184050 [0,2,0,0,0,0|1,1,0]=4 5373 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,2,0,0,0,0|1,0,0]=3 5374 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,2,0,0,0,0|1,0,0]=3 5375 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,2,0,0,0,0|1,1,0]=4 5376 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,2,0,0,0,0|1,1,0]=4 5377 B11R1.172 CC(O)CCSc1cnco1 62a_100012276601_100020591547 [0,2,0,0,0,0|2,0,0]=4 5378 B11R1.172 CC(O)CCSc1cnco1 62a_100020591547_100012276601 [0,2,0,0,0,0|2,0,0]=4 5379 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [0,2,0,0,0,0|2,0,0]=4 5380 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [0,2,0,0,0,0|2,0,0]=4 5381 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,2,0,0,0,0|1,0,0]=3 5382 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,2,0,0,0,0|1,0,0]=3 5383 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,2,0,0,0,0|1,0,0]=3 5384 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,2,0,0,0,0|1,0,0]=3 5385 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,2,0,0,0,0|1,1,0]=4 5386 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,2,0,0,0,0|1,1,0]=4 5387 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,2,0,0,0,0|1,1,0]=4 5388 B11R1.172 CC(O)CNCc1cnco1 270004a_100000210904_100000064291 [0,2,0,0,0,0|2,0,0]=4 5389 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,2,0,0,0,0|2,0,0]=4 5390 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,2,0,0,0,0|2,0,0]=4 5391 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,2,0,0,0,0|2,0,0]=4 5392 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,2,0,0,0,0|2,0,0]=4 5393 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,2,0,0,0,0|0,0,0]=2 5394 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,2,0,0,0,0|0,1,0]=3 5395 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,2,0,0,0,0|1,0,0]=3 5396 B11R1.172 CC(O)COCc1ccoc1 34a_100011215357_100011218427 [0,2,0,0,0,0|2,0,0]=4 5397 B11R1.172 CC(O)COCc1ccsc1 34a_100011215551_100011218427 [0,2,0,0,0,0|2,0,0]=4 5398 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,2,0,0,0,0|1,0,0]=3 5399 B11R1.172 CC(O)COCn1cccn1 34a_100000731028_100011218427 [0,2,0,0,0,0|2,0,0]=4 5400 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,2,0,0,0,0|1,1,0]=4 5401 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,2,0,0,0,0|1,1,0]=4 5402 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,2,0,0,0,0|1,0,1]=4 5403 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,2,0,0,0,0|1,1,0]=4 5404 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,2,0,0,0,0|1,1,0]=4 5405 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,2,0,0,0,0|2,0,0]=4 5406 B11R1.172 C[C@@H](Cl)COCc1c[nH]cn1 34a_100016084084_100000707719 [0,2,0,0,0,0|2,0,0]=4 5407 B11R1.172 C[C@@H](Cl)COCc1ccn[nH]1 34a_100016084084_100000728653 [0,2,0,0,0,0|2,0,0]=4 5408 B11R1.172 C[C@@H](Cl)COCc1ccon1 34a_100016084084_100000234950 [0,2,0,0,0,0|2,0,0]=4 5409 B11R1.172 C[C@@H](Cl)COCc1ccsc1 34a_100016084084_100011261437 [0,2,0,0,0,0|2,0,0]=4 5410 B11R1.172 C[C@@H](Cl)COCc1cncs1 34a_100016084084_100015185245 [0,2,0,0,0,0|1,1,0]=4 5411 B11R1.172 C[C@@H](Cl)COCc1cscn1 34a_100016084084_100000205941 [0,2,0,0,0,0|2,0,0]=4 5412 B11R1.172 C[C@@H](Cl)COCc1ncc[nH]1 34a_100016084084_100016991755 [0,2,0,0,0,0|2,0,0]=4 5413 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,2,0,0,0,0|1,0,0]=3 5414 B11R1.172 C[C@@H](Cl)COCc1nccs1 34a_100016084084_100015184050 [0,2,0,0,0,0|1,1,0]=4 5415 B11R1.172 C[C@@H](N)COCc1c[nH]cn1 34a_100000737577_100000707719 [0,2,0,0,0,0|2,0,0]=4 5416 B11R1.172 C[C@@H](N)COCc1ccn[nH]1 34a_100000737577_100000728653 [0,2,0,0,0,0|2,0,0]=4 5417 B11R1.172 C[C@@H](N)COCc1ccon1 34a_100000737577_100000234950 [0,2,0,0,0,0|2,0,0]=4 5418 B11R1.172 C[C@@H](N)COCc1ccsc1 34a_100000737577_100011261437 [0,2,0,0,0,0|2,0,0]=4 5419 B11R1.172 C[C@@H](N)COCc1cncs1 34a_100000737577_100015185245 [0,2,0,0,0,0|1,1,0]=4 5420 B11R1.172 C[C@@H](N)COCc1cscn1 34a_100000737577_100000205941 [0,2,0,0,0,0|2,0,0]=4 5421 B11R1.172 C[C@@H](N)COCc1ncc[nH]1 34a_100000737577_100016991755 [0,2,0,0,0,0|2,0,0]=4 5422 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,2,0,0,0,0|1,0,0]=3 5423 B11R1.172 C[C@@H](N)COCc1nccs1 34a_100000737577_100015184050 [0,2,0,0,0,0|1,1,0]=4 5424 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,2,0,0,0,0|1,0,0]=3 5425 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,2,0,0,0,0|1,0,0]=3 5426 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,2,0,0,0,0|1,1,0]=4 5427 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,2,0,0,0,0|2,0,0]=4 5428 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,2,0,0,0,0|0,0,0]=2 5429 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,2,0,0,0,0|0,1,0]=3 5430 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,2,0,0,0,0|1,0,0]=3 5431 B11R1.172 C[C@@H](O)COCc1ccoc1 34a_100011215357_100009817552 [0,2,0,0,0,0|2,0,0]=4 5432 B11R1.172 C[C@@H](O)COCc1ccsc1 34a_100011215551_100009817552 [0,2,0,0,0,0|2,0,0]=4 5433 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,2,0,0,0,0|1,0,0]=3 5434 B11R1.172 C[C@@H](O)COCn1cccn1 34a_100000731028_100009817552 [0,2,0,0,0,0|2,0,0]=4 5435 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,2,0,0,0,0|1,1,0]=4 5436 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,2,0,0,0,0|1,1,0]=4 5437 B11R1.172 FC(F)CNCc1ccco1 207a_100000765723_100000186105 [0,2,0,0,0,0|1,0,0]=3 5438 B11R1.172 FC(F)CNCc1ccco1 2230a_100000185738_100011934356 [0,2,0,0,0,0|1,0,0]=3 5439 B11R1.172 FC(F)CNCc1ccco1 270004a_100000765723_100000186105 [0,2,0,0,0,0|1,0,0]=3 5440 B11R1.172 FC(F)CNCc1ccco1 34a_100000185738_100011934356 [0,2,0,0,0,0|1,0,0]=3 5441 B11R1.172 FC(F)CNCc1cccs1 207a_100000765723_100000209959 [0,2,0,0,0,0|1,1,0]=4 5442 B11R1.172 FC(F)CNCc1cccs1 2230a_100000211653_100011934356 [0,2,0,0,0,0|1,1,0]=4 5443 B11R1.172 FC(F)CNCc1cccs1 270004a_100000765723_100000209959 [0,2,0,0,0,0|1,1,0]=4 5444 B11R1.172 FC(F)CNCc1cnco1 270004a_100000765723_100000064291 [0,2,0,0,0,0|2,0,0]=4 5445 B11R1.172 FC(F)CNCc1ncco1 2230a_100016994969_100011934356 [0,2,0,0,0,0|2,0,0]=4 5446 B11R1.172 FC(F)CNCc1ncco1 270004a_100000765723_100000064290 [0,2,0,0,0,0|2,0,0]=4 5447 B11R1.172 FC(F)CNCc1ncco1 34a_100000765723_103436540062 [0,2,0,0,0,0|2,0,0]=4 5448 B11R1.172 FC(F)COCc1c[nH]cn1 34a_100000743014_100000707719 [0,2,0,0,0,0|2,0,0]=4 5449 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,2,0,0,0,0|0,0,0]=2 5450 B11R1.172 FC(F)COCc1cccs1 34a_100000211240_100011934356 [0,2,0,0,0,0|0,1,0]=3 5451 B11R1.172 FC(F)COCc1ccn[nH]1 34a_100000743014_100000728653 [0,2,0,0,0,0|2,0,0]=4 5452 B11R1.172 FC(F)COCc1ccno1 34a_100000740478_100011934356 [0,2,0,0,0,0|1,0,0]=3 5453 B11R1.172 FC(F)COCc1ccoc1 34a_100011215357_100011934356 [0,2,0,0,0,0|2,0,0]=4 5454 B11R1.172 FC(F)COCc1ccon1 34a_100000743014_100000234950 [0,2,0,0,0,0|2,0,0]=4 5455 B11R1.172 FC(F)COCc1ccsc1 34a_100000743014_100011261437 [0,2,0,0,0,0|2,0,0]=4 5456 B11R1.172 FC(F)COCc1ccsc1 34a_100011215551_100011934356 [0,2,0,0,0,0|2,0,0]=4 5457 B11R1.172 FC(F)COCc1cncs1 34a_100000743014_100015185245 [0,2,0,0,0,0|1,1,0]=4 5458 B11R1.172 FC(F)COCc1cscn1 34a_100000743014_100000205941 [0,2,0,0,0,0|2,0,0]=4 5459 B11R1.172 FC(F)COCc1ncc[nH]1 34a_100000743014_100016991755 [0,2,0,0,0,0|2,0,0]=4 5460 B11R1.172 FC(F)COCc1ncco1 34a_100000062594_100011934356 [0,2,0,0,0,0|1,0,0]=3 5461 B11R1.172 FC(F)COCc1ncco1 34a_100000743014_103436540062 [0,2,0,0,0,0|1,0,0]=3 5462 B11R1.172 FC(F)COCc1nccs1 34a_100000743014_100015184050 [0,2,0,0,0,0|1,1,0]=4 5463 B11R1.172 FC(F)COCn1cccn1 34a_100000731028_100011934356 [0,2,0,0,0,0|2,0,0]=4 5464 B11R1.172 FC(F)CSCc1ncco1 62a_100011934356_103436540062 [0,2,0,0,0,0|1,1,0]=4 5465 B11R1.172 FC(F)CSCc1ncco1 62a_103436540062_100011934356 [0,2,0,0,0,0|1,1,0]=4 5466 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,2,0,0,0,0|1,0,1]=4 5467 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,2,0,0,0,0|1,0,1]=4 5468 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,2,0,0,0,0|0,0,1]=3 5469 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,2,0,0,0,0|0,1,1]=4 5470 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,2,0,0,0,0|1,0,1]=4 5471 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,2,0,0,0,0|1,0,1]=4 5472 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,2,0,0,0,0|1,0,1]=4 5473 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,2,0,0,0,0|0,0,1]=3 5474 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,2,0,0,0,0|0,1,1]=4 5475 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,2,0,0,0,0|1,0,1]=4 5476 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,2,0,0,0,0|1,0,1]=4 5477 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,2,0,0,0,0|2,0,0]=4 5478 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,2,0,0,0,0|1,0,0]=3 5479 B11R1.172 O=[N+]([O-])COCc1cccs1 34a_100000211240_100000761209 [0,2,0,0,0,0|1,1,0]=4 5480 B11R1.172 O=[N+]([O-])COCc1ccno1 34a_100000740478_100000761209 [0,2,0,0,0,0|2,0,0]=4 5481 B11R1.172 O=[N+]([O-])COCc1ncco1 34a_100000062594_100000761209 [0,2,0,0,0,0|2,0,0]=4 5482 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,2,0,0,0,0|1,1,0]=4 5483 B11R1.180 BrCCOCc1ccsc1Br 34a_100000211926_100009814289 [0,2,0,0,0,0|2,0,0]=4 5484 B11R1.180 C#CCOCc1occc1C 34a_100011273948_100000184674 [0,2,0,0,0,0|0,0,1]=3 5485 B11R1.180 C#CCOCc1occc1C 7a_100011273948_100000038162 [0,2,0,0,0,0|0,0,1]=3 5486 B11R1.180 C#CCOCc1ocnc1C 34a_100000717716_100000184674 [0,2,0,0,0,0|1,0,1]=4 5487 B11R1.180 C#CCOCc1ocnc1C 7a_100000717716_100000038162 [0,2,0,0,0,0|1,0,1]=4 5488 B11R1.180 C#CCOCc1oncc1C 34a_200011065769_100000184674 [0,2,0,0,0,0|1,0,1]=4 5489 B11R1.180 C#CCOCc1sccc1Br 34a_100000702026_100000184674 [0,2,0,0,0,0|0,1,1]=4 5490 B11R1.180 C#CCOCc1sccc1C 34a_100000238368_100000184674 [0,2,0,0,0,0|0,1,1]=4 5491 B11R1.180 C#CCOCc1sccc1C 7a_100000238368_100000038162 [0,2,0,0,0,0|0,1,1]=4 5492 B11R1.180 C#CCOCc1sccc1Cl 34a_100000722387_100000184674 [0,2,0,0,0,0|0,1,1]=4 5493 B11R1.180 C#CCOCc1sccc1Cl 7a_100000722387_100000038162 [0,2,0,0,0,0|0,1,1]=4 5494 B11R1.180 C=CCNCc1occc1Br 270004a_100020586998_100000756499 [0,2,0,0,0,0|1,0,1]=4 5495 B11R1.180 C=CCNCc1occc1C 270004a_100020586998_100000763527 [0,2,0,0,0,0|1,0,1]=4 5496 B11R1.180 C=CCOCc1occc1C 34a_100011273948_100015514636 [0,2,0,0,0,0|0,0,1]=3 5497 B11R1.180 C=CCOCc1occc1C 7a_100011273948_100015514636 [0,2,0,0,0,0|0,0,1]=3 5498 B11R1.180 C=CCOCc1ocnc1C 34a_100000717716_100015514636 [0,2,0,0,0,0|1,0,1]=4 5499 B11R1.180 C=CCOCc1ocnc1C 7a_100000717716_100015514636 [0,2,0,0,0,0|1,0,1]=4 5500 B11R1.180 C=CCOCc1oncc1C 34a_200011065769_100015514636 [0,2,0,0,0,0|1,0,1]=4 5501 B11R1.180 C=CCOCc1sccc1Br 34a_100000702026_100015514636 [0,2,0,0,0,0|0,1,1]=4 5502 B11R1.180 C=CCOCc1sccc1C 34a_100000238368_100015514636 [0,2,0,0,0,0|0,1,1]=4 5503 B11R1.180 C=CCOCc1sccc1C 7a_100000238368_100015514636 [0,2,0,0,0,0|0,1,1]=4 5504 B11R1.180 C=CCOCc1sccc1Cl 34a_100000722387_100015514636 [0,2,0,0,0,0|0,1,1]=4 5505 B11R1.180 C=CCOCc1sccc1Cl 7a_100000722387_100015514636 [0,2,0,0,0,0|0,1,1]=4 5506 B11R1.180 CCCCSc1sccc1Br 62a_100000210211_100012361411 [0,2,0,0,0,0|1,1,0]=4 5507 B11R1.180 CCCCSc1sccc1Br 62a_100012361411_100000210210 [0,2,0,0,0,0|1,1,0]=4 5508 B11R1.180 CCCCSc1sccc1C 62a_100000210211_100010247149 [0,2,0,0,0,0|1,1,0]=4 5509 B11R1.180 CCCCSc1sccc1C 62a_100010247149_100000210210 [0,2,0,0,0,0|1,1,0]=4 5510 B11R1.180 CCCNCc1cccn1C 270004a_100020643023_100000211633 [0,2,0,0,0,0|2,0,0]=4 5511 B11R1.180 CCCNCc1cccn1C 34a_100011219357_100000210303 [0,2,0,0,0,0|2,0,0]=4 5512 B11R1.180 CCCNCc1occc1Br 270004a_100020643023_100000756499 [0,2,0,0,0,0|1,0,0]=3 5513 B11R1.180 CCCNCc1occc1C 207a_100020643023_100000763527 [0,2,0,0,0,0|1,0,0]=3 5514 B11R1.180 CCCNCc1occc1C 270004a_100020643023_100000763527 [0,2,0,0,0,0|1,0,0]=3 5515 B11R1.180 CCCNCc1sccc1Br 207a_100020643023_100000766043 [0,2,0,0,0,0|1,1,0]=4 5516 B11R1.180 CCCNCc1sccc1Br 270004a_100020643023_100000766043 [0,2,0,0,0,0|1,1,0]=4 5517 B11R1.180 CCCNCc1sccc1C 207a_100020643023_100000210881 [0,2,0,0,0,0|1,1,0]=4 5518 B11R1.180 CCCNCc1sccc1C 2230a_100000238519_100000210303 [0,2,0,0,0,0|1,1,0]=4 5519 B11R1.180 CCCNCc1sccc1C 270004a_100020643023_100000210881 [0,2,0,0,0,0|1,1,0]=4 5520 B11R1.180 CCCNCc1sccc1C 34a_100000238519_100000210303 [0,2,0,0,0,0|1,1,0]=4 5521 B11R1.180 CCCNCc1sccc1Cl 207a_100020643023_100000722334 [0,2,0,0,0,0|1,1,0]=4 5522 B11R1.180 CCCNCc1sccc1Cl 2230a_100011934584_100000210303 [0,2,0,0,0,0|1,1,0]=4 5523 B11R1.180 CCCNCc1sccc1Cl 270004a_100020643023_100000722334 [0,2,0,0,0,0|1,1,0]=4 5524 B11R1.180 CCCNCc1sccc1Cl 34a_100011934584_100000210303 [0,2,0,0,0,0|1,1,0]=4 5525 B11R1.180 CCCOCc1ccnn1C 34a_100000210258_100000691648 [0,2,0,0,0,0|2,0,0]=4 5526 B11R1.180 CCCOCc1ccnn1C 34a_100000684702_100000210303 [0,2,0,0,0,0|2,0,0]=4 5527 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [0,2,0,0,0,0|2,0,0]=4 5528 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [0,2,0,0,0,0|2,0,0]=4 5529 B11R1.180 CCCOCc1ccsc1Br 34a_100000210258_100009814289 [0,2,0,0,0,0|2,0,0]=4 5530 B11R1.180 CCCOCc1ccsc1Br 34a_100009816922_100000210303 [0,2,0,0,0,0|2,0,0]=4 5531 B11R1.180 CCCOCc1ccsc1Br 7a_100009816922_100000210303 [0,2,0,0,0,0|2,0,0]=4 5532 B11R1.180 CCCOCc1ccsc1Cl 34a_100000210258_100010167017 [0,2,0,0,0,0|2,0,0]=4 5533 B11R1.180 CCCOCc1cscc1Br 34a_100000724555_100000210303 [0,2,0,0,0,0|2,0,0]=4 5534 B11R1.180 CCCOCc1nccn1C 34a_100000210258_100000700302 [0,2,0,0,0,0|2,0,0]=4 5535 B11R1.180 CCCOCc1nccn1C 7a_100000691215_100000210303 [0,2,0,0,0,0|2,0,0]=4 5536 B11R1.180 CCCOCc1ncoc1C 34a_100000210258_200000693990 [0,2,0,0,0,0|2,0,0]=4 5537 B11R1.180 CCCOCc1ncoc1C 34a_100012017639_100000210303 [0,2,0,0,0,0|2,0,0]=4 5538 B11R1.180 CCCOCc1occc1C 34a_100011273948_100000210303 [0,2,0,0,0,0|0,0,0]=2 5539 B11R1.180 CCCOCc1occc1C 7a_100011273948_100000210303 [0,2,0,0,0,0|0,0,0]=2 5540 B11R1.180 CCCOCc1ocnc1C 34a_100000717716_100000210303 [0,2,0,0,0,0|1,0,0]=3 5541 B11R1.180 CCCOCc1ocnc1C 7a_100000717716_100000210303 [0,2,0,0,0,0|1,0,0]=3 5542 B11R1.180 CCCOCc1oncc1C 34a_200011065769_100000210303 [0,2,0,0,0,0|1,0,0]=3 5543 B11R1.180 CCCOCc1sccc1Br 34a_100000702026_100000210303 [0,2,0,0,0,0|0,1,0]=3 5544 B11R1.180 CCCOCc1sccc1C 34a_100000238368_100000210303 [0,2,0,0,0,0|0,1,0]=3 5545 B11R1.180 CCCOCc1sccc1C 7a_100000238368_100000210303 [0,2,0,0,0,0|0,1,0]=3 5546 B11R1.180 CCCOCc1sccc1Cl 34a_100000722387_100000210303 [0,2,0,0,0,0|0,1,0]=3 5547 B11R1.180 CCCOCc1sccc1Cl 7a_100000722387_100000210303 [0,2,0,0,0,0|0,1,0]=3 5548 B11R1.180 CCCOCc1scnc1Br 7a_100012000948_100000210303 [0,2,0,0,0,0|1,1,0]=4 5549 B11R1.180 CCCOCc1scnc1C 34a_100000750112_100000210303 [0,2,0,0,0,0|1,1,0]=4 5550 B11R1.180 CCCOCc1scnc1C 7a_100000750112_100000210303 [0,2,0,0,0,0|1,1,0]=4 5551 B11R1.180 CCNCCc1cccn1C 2230a_100011251756_100000210202 [0,2,0,0,0,0|2,0,0]=4 5552 B11R1.180 CCNCCc1cccn1C 34a_100011251756_100000210202 [0,2,0,0,0,0|2,0,0]=4 5553 B11R1.180 CCNN=Cc1occc1Br 4a_100000756455_100000756499 [0,2,0,0,0,0|1,0,1]=4 5554 B11R1.180 CCNN=Cc1occc1C 4a_100000756455_100000763527 [0,2,0,0,0,0|1,0,1]=4 5555 B11R1.180 CCOC=Cc1sccc1Br 271570a_100016256518_100012361411 [0,2,0,0,0,0|0,1,1]=4 5556 B11R1.180 CCOC=Cc1sccc1C 271570a_100016256518_100000742657 [0,2,0,0,0,0|0,1,1]=4 5557 B11R1.180 CCOCCc1scnc1C 34a_100000211055_100000210202 [0,2,0,0,0,0|1,1,0]=4 5558 B11R1.180 CCOCCc1scnc1C 34a_100121572206_100000057103 [0,2,0,0,0,0|1,1,0]=4 5559 B11R1.180 CCOCCc1scnc1C 7a_100000211055_100000210202 [0,2,0,0,0,0|1,1,0]=4 5560 B11R1.180 CCOCCn1nccc1N 34a_100000701086_100000210202 [0,2,0,0,0,0|2,0,0]=4 5561 B11R1.180 CCOCSc1[nH]cnc1Cl 62a_100000739092_100010200774 [0,2,0,0,0,0|2,0,0]=4 5562 B11R1.180 CCOCSc1[nH]cnc1Cl 62a_100010200774_100000739092 [0,2,0,0,0,0|2,0,0]=4 5563 B11R1.180 CCOCSc1ccnn1C 62a_100000688441_100000739092 [0,2,0,0,0,0|2,0,0]=4 5564 B11R1.180 CCOCSc1ccnn1C 62a_100000739092_100000688441 [0,2,0,0,0,0|2,0,0]=4 5565 B11R1.180 CCOCSc1ccsc1C 62a_100000684487_100000739092 [0,2,0,0,0,0|2,0,0]=4 5566 B11R1.180 CCOCSc1ccsc1C 62a_100000739092_100000684487 [0,2,0,0,0,0|2,0,0]=4 5567 B11R1.180 CCOCSc1cncn1C 62a_100000739092_100009814087 [0,2,0,0,0,0|2,0,0]=4 5568 B11R1.180 CCOCSc1cncn1C 62a_100009814087_100000739092 [0,2,0,0,0,0|2,0,0]=4 5569 B11R1.180 CCOCSc1cscc1Br 62a_100000739092_100010143727 [0,2,0,0,0,0|2,0,0]=4 5570 B11R1.180 CCOCSc1cscc1Br 62a_100010143727_100000739092 [0,2,0,0,0,0|2,0,0]=4 5571 B11R1.180 CCOCSc1cscc1C 62a_100000739092_100000759966 [0,2,0,0,0,0|2,0,0]=4 5572 B11R1.180 CCOCSc1cscc1C 62a_100000759966_100000739092 [0,2,0,0,0,0|2,0,0]=4 5573 B11R1.180 CCOCSc1n[nH]cc1Br 62a_100000739092_100015839836 [0,2,0,0,0,0|2,0,0]=4 5574 B11R1.180 CCOCSc1n[nH]cc1Br 62a_100015839836_100000739092 [0,2,0,0,0,0|2,0,0]=4 5575 B11R1.180 CCOCSc1n[nH]cc1C 62a_100000739092_100009871783 [0,2,0,0,0,0|2,0,0]=4 5576 B11R1.180 CCOCSc1n[nH]cc1C 62a_100009871783_100000739092 [0,2,0,0,0,0|2,0,0]=4 5577 B11R1.180 CCOCSc1n[nH]cc1N 62a_100000739092_100010894806 [0,2,0,0,0,0|2,0,0]=4 5578 B11R1.180 CCOCSc1n[nH]cc1N 62a_100010894806_100000739092 [0,2,0,0,0,0|2,0,0]=4 5579 B11R1.180 CCOCSc1nc[nH]c1C 62a_100000739092_100010186451 [0,2,0,0,0,0|2,0,0]=4 5580 B11R1.180 CCOCSc1nc[nH]c1C 62a_100010186451_100000739092 [0,2,0,0,0,0|2,0,0]=4 5581 B11R1.180 CCOCSc1nccn1C 62a_100000707724_100000739092 [0,2,0,0,0,0|2,0,0]=4 5582 B11R1.180 CCOCSc1nccn1C 62a_100000739092_100000707724 [0,2,0,0,0,0|2,0,0]=4 5583 B11R1.180 CCOCSc1ncsc1C 62a_100000732656_100000739092 [0,2,0,0,0,0|2,0,0]=4 5584 B11R1.180 CCOCSc1ncsc1C 62a_100000739092_100000732656 [0,2,0,0,0,0|2,0,0]=4 5585 B11R1.180 CCOCSc1sccc1Br 62a_100000739092_100012361411 [0,2,0,0,0,0|0,1,0]=3 5586 B11R1.180 CCOCSc1sccc1Br 62a_100012361411_100000739092 [0,2,0,0,0,0|0,1,0]=3 5587 B11R1.180 CCOCSc1sccc1C 62a_100000739092_100010247149 [0,2,0,0,0,0|0,1,0]=3 5588 B11R1.180 CCOCSc1sccc1C 62a_100010247149_100000739092 [0,2,0,0,0,0|0,1,0]=3 5589 B11R1.180 CCOCSc1scnc1C 62a_100000739092_100009817116 [0,2,0,0,0,0|1,1,0]=4 5590 B11R1.180 CCOCSc1scnc1C 62a_100009817116_100000739092 [0,2,0,0,0,0|1,1,0]=4 5591 B11R1.180 COCNCc1sccc1C 2230a_100000238519_100000766300 [0,2,0,0,0,0|1,1,0]=4 5592 B11R1.180 COCNCc1sccc1Cl 2230a_100011934584_100000766300 [0,2,0,0,0,0|1,1,0]=4 5593 B11R1.180 CSCNCc1cccn1C 34a_100011219357_100011218213 [0,2,0,0,0,0|2,0,0]=4 5594 B11R1.180 CSCNCc1sccc1C 2230a_100000238519_100011218213 [0,2,0,0,0,0|1,1,0]=4 5595 B11R1.180 CSCNCc1sccc1C 34a_100000238519_100011218213 [0,2,0,0,0,0|1,1,0]=4 5596 B11R1.180 CSCNCc1sccc1Cl 2230a_100011934584_100011218213 [0,2,0,0,0,0|1,1,0]=4 5597 B11R1.180 CSCNCc1sccc1Cl 34a_100011934584_100011218213 [0,2,0,0,0,0|1,1,0]=4 5598 B11R1.180 CSCOCc1ccnn1C 34a_100000684702_100011218213 [0,2,0,0,0,0|2,0,0]=4 5599 B11R1.180 CSCOCc1ccoc1C 34a_100011219433_100011218213 [0,2,0,0,0,0|2,0,0]=4 5600 B11R1.180 CSCOCc1ccsc1Br 34a_100009816922_100011218213 [0,2,0,0,0,0|2,0,0]=4 5601 B11R1.180 CSCOCc1cscc1Br 34a_100000724555_100011218213 [0,2,0,0,0,0|2,0,0]=4 5602 B11R1.180 CSCOCc1ncoc1C 34a_100012017639_100011218213 [0,2,0,0,0,0|2,0,0]=4 5603 B11R1.180 CSCOCc1occc1C 34a_100011273948_100011218213 [0,2,0,0,0,0|0,0,0]=2 5604 B11R1.180 CSCOCc1ocnc1C 34a_100000717716_100011218213 [0,2,0,0,0,0|1,0,0]=3 5605 B11R1.180 CSCOCc1oncc1C 34a_200011065769_100011218213 [0,2,0,0,0,0|1,0,0]=3 5606 B11R1.180 CSCOCc1sccc1Br 34a_100000702026_100011218213 [0,2,0,0,0,0|0,1,0]=3 5607 B11R1.180 CSCOCc1sccc1C 34a_100000238368_100011218213 [0,2,0,0,0,0|0,1,0]=3 5608 B11R1.180 CSCOCc1sccc1Cl 34a_100000722387_100011218213 [0,2,0,0,0,0|0,1,0]=3 5609 B11R1.180 CSCOCc1scnc1C 34a_100000750112_100011218213 [0,2,0,0,0,0|1,1,0]=4 5610 B11R1.180 Cc1ccoc1CNCCO 207a_100000210304_100000763527 [0,2,0,0,0,0|1,0,0]=3 5611 B11R1.180 Cc1ccoc1CNCCO 270004a_100000210304_100000763527 [0,2,0,0,0,0|1,0,0]=3 5612 B11R1.180 Cc1ccoc1COCC#N 7a_100011273948_100011215382 [0,2,0,0,0,0|0,0,1]=3 5613 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [0,2,0,0,0,0|0,0,1]=3 5614 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [0,2,0,0,0,0|0,0,1]=3 5615 B11R1.180 Cc1ccoc1COCCF 34a_100011273948_100011217306 [0,2,0,0,0,0|0,0,0]=2 5616 B11R1.180 Cc1ccoc1COCCF 7a_100011273948_100011217306 [0,2,0,0,0,0|0,0,0]=2 5617 B11R1.180 Cc1ccoc1COCCO 34a_100011273948_100000211926 [0,2,0,0,0,0|0,0,0]=2 5618 B11R1.180 Cc1ccoc1COCCO 7a_100011273948_100000211926 [0,2,0,0,0,0|0,0,0]=2 5619 B11R1.180 Cc1ccsc1CNCCF 2230a_100000238519_100011217306 [0,2,0,0,0,0|1,1,0]=4 5620 B11R1.180 Cc1ccsc1CNCCF 34a_100000238519_100011217306 [0,2,0,0,0,0|1,1,0]=4 5621 B11R1.180 Cc1ccsc1CNCCO 207a_100000210304_100000210881 [0,2,0,0,0,0|1,1,0]=4 5622 B11R1.180 Cc1ccsc1CNCCO 2230a_100000238519_100000211926 [0,2,0,0,0,0|1,1,0]=4 5623 B11R1.180 Cc1ccsc1CNCCO 270004a_100000210304_100000210881 [0,2,0,0,0,0|1,1,0]=4 5624 B11R1.180 Cc1ccsc1CNCCO 34a_100000238519_100000211926 [0,2,0,0,0,0|1,1,0]=4 5625 B11R1.180 Cc1ccsc1COCC#N 7a_100000238368_100011215382 [0,2,0,0,0,0|0,1,1]=4 5626 B11R1.180 Cc1ccsc1COCC=O 34a_100000238368_200009817547 [0,2,0,0,0,0|0,1,1]=4 5627 B11R1.180 Cc1ccsc1COCC=O 7a_100000238368_200015260668 [0,2,0,0,0,0|0,1,1]=4 5628 B11R1.180 Cc1ccsc1COCCF 34a_100000238368_100011217306 [0,2,0,0,0,0|0,1,0]=3 5629 B11R1.180 Cc1ccsc1COCCF 7a_100000238368_100011217306 [0,2,0,0,0,0|0,1,0]=3 5630 B11R1.180 Cc1ccsc1COCCO 34a_100000238368_100000211926 [0,2,0,0,0,0|0,1,0]=3 5631 B11R1.180 Cc1ccsc1COCCO 7a_100000238368_100000211926 [0,2,0,0,0,0|0,1,0]=3 5632 B11R1.180 Cc1cnoc1COCC=O 34a_200011065769_200009817547 [0,2,0,0,0,0|1,0,1]=4 5633 B11R1.180 Cc1cnoc1COCCF 34a_200011065769_100011217306 [0,2,0,0,0,0|1,0,0]=3 5634 B11R1.180 Cc1cnoc1COCCO 34a_200011065769_100000211926 [0,2,0,0,0,0|1,0,0]=3 5635 B11R1.180 Cc1ncoc1COCC#N 7a_100000717716_100011215382 [0,2,0,0,0,0|1,0,1]=4 5636 B11R1.180 Cc1ncoc1COCC=O 34a_100000717716_200009817547 [0,2,0,0,0,0|1,0,1]=4 5637 B11R1.180 Cc1ncoc1COCC=O 7a_100000717716_200015260668 [0,2,0,0,0,0|1,0,1]=4 5638 B11R1.180 Cc1ncoc1COCCF 34a_100000717716_100011217306 [0,2,0,0,0,0|1,0,0]=3 5639 B11R1.180 Cc1ncoc1COCCF 7a_100000717716_100011217306 [0,2,0,0,0,0|1,0,0]=3 5640 B11R1.180 Cc1ncoc1COCCO 34a_100000717716_100000211926 [0,2,0,0,0,0|1,0,0]=3 5641 B11R1.180 Cc1ncoc1COCCO 7a_100000717716_100000211926 [0,2,0,0,0,0|1,0,0]=3 5642 B11R1.180 Cc1ncsc1COCCF 34a_100000750112_100011217306 [0,2,0,0,0,0|1,1,0]=4 5643 B11R1.180 Cc1ncsc1COCCF 7a_100000750112_100011217306 [0,2,0,0,0,0|1,1,0]=4 5644 B11R1.180 Cc1ncsc1COCCO 34a_100000750112_100000211926 [0,2,0,0,0,0|1,1,0]=4 5645 B11R1.180 Cc1ncsc1COCCO 7a_100000750112_100000211926 [0,2,0,0,0,0|1,1,0]=4 5646 B11R1.180 Cc1occc1COCCF 34a_100011219433_100011217306 [0,2,0,0,0,0|2,0,0]=4 5647 B11R1.180 Cc1occc1COCCF 7a_100011219433_100011217306 [0,2,0,0,0,0|2,0,0]=4 5648 B11R1.180 Cc1occc1COCCO 34a_100011219433_100000211926 [0,2,0,0,0,0|2,0,0]=4 5649 B11R1.180 Cc1occc1COCCO 7a_100011219433_100000211926 [0,2,0,0,0,0|2,0,0]=4 5650 B11R1.180 Cc1ocnc1COCCBr 34a_100000211926_200000693990 [0,2,0,0,0,0|2,0,0]=4 5651 B11R1.180 Cc1ocnc1COCCF 34a_100012017639_100011217306 [0,2,0,0,0,0|2,0,0]=4 5652 B11R1.180 Cc1ocnc1COCCN 34a_100000210304_200000693990 [0,2,0,0,0,0|2,0,0]=4 5653 B11R1.180 Cc1ocnc1COCCO 34a_100012017639_100000211926 [0,2,0,0,0,0|2,0,0]=4 5654 B11R1.180 Clc1sccc1COCCBr 34a_100000211926_100010167017 [0,2,0,0,0,0|2,0,0]=4 5655 B11R1.180 Cn1cccc1CNCCF 34a_100011219357_100011217306 [0,2,0,0,0,0|2,0,0]=4 5656 B11R1.180 Cn1cccc1CNCCO 270004a_100000210304_100000211633 [0,2,0,0,0,0|2,0,0]=4 5657 B11R1.180 Cn1cccc1CNCCO 34a_100011219357_100000211926 [0,2,0,0,0,0|2,0,0]=4 5658 B11R1.180 Cn1ccnc1COCCBr 34a_100000211926_100000700302 [0,2,0,0,0,0|2,0,0]=4 5659 B11R1.180 Cn1ccnc1COCCF 7a_100000691215_100011217306 [0,2,0,0,0,0|2,0,0]=4 5660 B11R1.180 Cn1ccnc1COCCN 34a_100000210304_100000700302 [0,2,0,0,0,0|2,0,0]=4 5661 B11R1.180 Cn1ccnc1COCCO 7a_100000691215_100000211926 [0,2,0,0,0,0|2,0,0]=4 5662 B11R1.180 Cn1nccc1COCCBr 34a_100000211926_100000691648 [0,2,0,0,0,0|2,0,0]=4 5663 B11R1.180 Cn1nccc1COCCF 34a_100000684702_100011217306 [0,2,0,0,0,0|2,0,0]=4 5664 B11R1.180 Cn1nccc1COCCN 34a_100000210304_100000691648 [0,2,0,0,0,0|2,0,0]=4 5665 B11R1.180 Cn1nccc1COCCO 34a_100000684702_100000211926 [0,2,0,0,0,0|2,0,0]=4 5666 B11R1.180 FCCNCc1sccc1Cl 2230a_100011934584_100011217306 [0,2,0,0,0,0|1,1,0]=4 5667 B11R1.180 FCCNCc1sccc1Cl 34a_100011934584_100011217306 [0,2,0,0,0,0|1,1,0]=4 5668 B11R1.180 FCCOCc1ccsc1Br 34a_100009816922_100011217306 [0,2,0,0,0,0|2,0,0]=4 5669 B11R1.180 FCCOCc1ccsc1Br 7a_100009816922_100011217306 [0,2,0,0,0,0|2,0,0]=4 5670 B11R1.180 FCCOCc1cscc1Br 34a_100000724555_100011217306 [0,2,0,0,0,0|2,0,0]=4 5671 B11R1.180 FCCOCc1sccc1Br 34a_100000702026_100011217306 [0,2,0,0,0,0|0,1,0]=3 5672 B11R1.180 FCCOCc1sccc1Cl 34a_100000722387_100011217306 [0,2,0,0,0,0|0,1,0]=3 5673 B11R1.180 FCCOCc1sccc1Cl 7a_100000722387_100011217306 [0,2,0,0,0,0|0,1,0]=3 5674 B11R1.180 FCCOCc1scnc1Br 7a_100012000948_100011217306 [0,2,0,0,0,0|1,1,0]=4 5675 B11R1.180 N#CCOCc1sccc1Cl 7a_100000722387_100011215382 [0,2,0,0,0,0|0,1,1]=4 5676 B11R1.180 NCCOCc1ccsc1Br 34a_100000210304_100009814289 [0,2,0,0,0,0|2,0,0]=4 5677 B11R1.180 NCCOCc1ccsc1Cl 34a_100000210304_100010167017 [0,2,0,0,0,0|2,0,0]=4 5678 B11R1.180 O=CCOCc1sccc1Br 34a_100000702026_200009817547 [0,2,0,0,0,0|0,1,1]=4 5679 B11R1.180 O=CCOCc1sccc1Cl 34a_100000722387_200009817547 [0,2,0,0,0,0|0,1,1]=4 5680 B11R1.180 O=CCOCc1sccc1Cl 7a_100000722387_200015260668 [0,2,0,0,0,0|0,1,1]=4 5681 B11R1.180 OCCNCc1occc1Br 270004a_100000210304_100000756499 [0,2,0,0,0,0|1,0,0]=3 5682 B11R1.180 OCCNCc1sccc1Br 207a_100000210304_100000766043 [0,2,0,0,0,0|1,1,0]=4 5683 B11R1.180 OCCNCc1sccc1Br 270004a_100000210304_100000766043 [0,2,0,0,0,0|1,1,0]=4 5684 B11R1.180 OCCNCc1sccc1Cl 207a_100000210304_100000722334 [0,2,0,0,0,0|1,1,0]=4 5685 B11R1.180 OCCNCc1sccc1Cl 2230a_100011934584_100000211926 [0,2,0,0,0,0|1,1,0]=4 5686 B11R1.180 OCCNCc1sccc1Cl 270004a_100000210304_100000722334 [0,2,0,0,0,0|1,1,0]=4 5687 B11R1.180 OCCNCc1sccc1Cl 34a_100011934584_100000211926 [0,2,0,0,0,0|1,1,0]=4 5688 B11R1.180 OCCOCc1ccsc1Br 34a_100009816922_100000211926 [0,2,0,0,0,0|2,0,0]=4 5689 B11R1.180 OCCOCc1ccsc1Br 7a_100009816922_100000211926 [0,2,0,0,0,0|2,0,0]=4 5690 B11R1.180 OCCOCc1cscc1Br 34a_100000724555_100000211926 [0,2,0,0,0,0|2,0,0]=4 5691 B11R1.180 OCCOCc1sccc1Br 34a_100000702026_100000211926 [0,2,0,0,0,0|0,1,0]=3 5692 B11R1.180 OCCOCc1sccc1Cl 34a_100000722387_100000211926 [0,2,0,0,0,0|0,1,0]=3 5693 B11R1.180 OCCOCc1sccc1Cl 7a_100000722387_100000211926 [0,2,0,0,0,0|0,1,0]=3 5694 B11R1.180 OCCOCc1scnc1Br 7a_100012000948_100000211926 [0,2,0,0,0,0|1,1,0]=4 5695 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,2,0,0,0,0|1,0,1]=4 5696 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,2,0,0,0,0|1,0,1]=4 5697 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,2,0,0,0,0|1,0,1]=4 5698 B11R1.35 CC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_100000210206 [0,2,0,0,0,0|2,0,0]=4 5699 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,2,0,0,0,0|1,0,0]=3 5700 B11R1.35 CC(C)C(=O)Cc1cccs1 1458a_100000210189_100000210206 [0,2,0,0,0,0|1,1,0]=4 5701 B11R1.35 CC(C)C(=O)Cc1ncco1 1458a_100000210198_103436540062 [0,2,0,0,0,0|2,0,0]=4 5702 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [0,2,0,0,0,0|1,0,0]=3 5703 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [0,2,0,0,0,0|1,0,0]=3 5704 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [0,2,0,0,0,0|1,0,0]=3 5705 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000184426_100000210206 [0,2,0,0,0,0|1,1,0]=4 5706 B11R1.35 CC(C)N(C)Cc1cccs1 2230a_100000200192_200000210301 [0,2,0,0,0,0|1,1,0]=4 5707 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000184426_100000210206 [0,2,0,0,0,0|1,1,0]=4 5708 B11R1.35 CC(C)N(C)Cc1cccs1 269982a_100000200192_200000210301 [0,2,0,0,0,0|1,1,0]=4 5709 B11R1.35 CC(C)N(C)Cc1cccs1 270004a_200000211004_100000209959 [0,2,0,0,0,0|1,1,0]=4 5710 B11R1.35 CC(C)N(C)Cc1cnco1 270004a_200000211004_100000064291 [0,2,0,0,0,0|2,0,0]=4 5711 B11R1.35 CC(C)N(C)Cc1ncco1 269982a_200000211004_103436540062 [0,2,0,0,0,0|2,0,0]=4 5712 B11R1.35 CC(C)N(C)Cc1ncco1 270004a_200000211004_100000064290 [0,2,0,0,0,0|2,0,0]=4 5713 B11R1.35 CC(C)N([13CH3])Cc1cccs1 2230a_100000200192_200025704644 [0,2,0,0,0,0|1,1,0]=4 5714 B11R1.35 CC(C)N([13CH3])Cc1cccs1 269982a_100000200192_200025704644 [0,2,0,0,0,0|1,1,0]=4 5715 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,2,0,0,0,0|2,0,0]=4 5716 B11R1.35 CC(F)C(=O)Cc1ncco1 1458a_100000062450_103436540062 [0,2,0,0,0,0|2,0,0]=4 5717 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,2,0,0,0,0|2,0,0]=4 5718 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,2,0,0,0,0|2,0,0]=4 5719 B11R1.35 C[C@@H](O)C(=O)Cc1ncco1 1458a_100000717761_103436540062 [0,2,0,0,0,0|2,0,0]=4 5720 B11R1.35 C[C@H](O)C(=O)Cc1ncco1 1458a_217856618621_103436540062 [0,2,0,0,0,0|2,0,0]=4 5721 B11R1.84 CCC(CC)Sc1ccco1 62a_100000210505_100009814098 [0,2,0,0,0,0|2,0,0]=4 5722 B11R1.84 CCC(CC)Sc1ccco1 62a_100009814098_100000210505 [0,2,0,0,0,0|2,0,0]=4 5723 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,2,0,0,0,0|1,0,0]=3 5724 B11R1.84 CCN(CC)Cc1ccco1 2230a_100000739255_100000210202 [0,2,0,0,0,0|1,0,0]=3 5725 B11R1.84 CCN(CC)Cc1ccco1 269982a_100000739255_100000204670 [0,2,0,0,0,0|1,0,0]=3 5726 B11R1.84 CCN(CC)Cc1ccco1 270004a_100000724800_100000186105 [0,2,0,0,0,0|1,0,0]=3 5727 B11R1.84 CCN(CC)Cc1cccs1 2230a_100025770963_100000210202 [0,2,0,0,0,0|1,1,0]=4 5728 B11R1.84 CCN(CC)Cc1cccs1 269982a_100025770963_100000204670 [0,2,0,0,0,0|1,1,0]=4 5729 B11R1.84 CCN(CC)Cc1cccs1 270004a_100000724800_100000209959 [0,2,0,0,0,0|1,1,0]=4 5730 B11R1.84 CCN(CC)Cc1cnco1 270004a_100000724800_100000064291 [0,2,0,0,0,0|2,0,0]=4 5731 B11R1.84 CCN(CC)Cc1ncco1 2230a_100000724800_103436540062 [0,2,0,0,0,0|2,0,0]=4 5732 B11R1.84 CCN(CC)Cc1ncco1 269956a_100000042499_103436540062 [0,2,0,0,0,0|2,0,0]=4 5733 B11R1.84 CCN(CC)Cc1ncco1 269982a_100000724800_103436540062 [0,2,0,0,0,0|2,0,0]=4 5734 B11R1.84 CCN(CC)Cc1ncco1 270004a_100000724800_100000064290 [0,2,0,0,0,0|2,0,0]=4 5735 B11R1.84 CCN(CF)Cc1ccco1 269982a_100000739255_100015361967 [0,2,0,0,0,0|1,0,0]=3 5736 B11R1.84 CCN(CF)Cc1cccs1 269982a_100025770963_100015361967 [0,2,0,0,0,0|1,1,0]=4 5737 B11R1.136 CCC(C)(C)Sc1ccco1 62a_100000032637_100009814098 [0,2,0,0,0,0|2,0,0]=4 5738 B11R1.136 CCC(C)(C)Sc1ccco1 62a_100009814098_100000032637 [0,2,0,0,0,0|2,0,0]=4 5739 B11R1.228 CCN(C)Cc1cccn1C 2230a_100000188278_100000210202 [0,2,0,0,0,0|2,0,0]=4 5740 B11R1.228 CCN(C)Cc1cccn1C 269982a_100000188278_100000204670 [0,2,0,0,0,0|2,0,0]=4 5741 B11R1.228 CCN(C)Cc1occc1C 2230a_100000734364_100000210202 [0,2,0,0,0,0|1,0,0]=3 5742 B11R1.228 CCN(C)Cc1occc1C 269982a_100000734364_100000204670 [0,2,0,0,0,0|1,0,0]=3 5743 B11R1.228 CCN(C)Cc1sccc1Br 2230a_100000767120_100000210202 [0,2,0,0,0,0|1,1,0]=4 5744 B11R1.228 CCN(C)Cc1sccc1Br 269982a_100000767120_100000204670 [0,2,0,0,0,0|1,1,0]=4 5745 B11R1.228 CCN(C)Cc1sccc1C 2230a_100000695154_100000210202 [0,2,0,0,0,0|1,1,0]=4 5746 B11R1.228 CCN(C)Cc1sccc1C 269982a_100000695154_100000204670 [0,2,0,0,0,0|1,1,0]=4 5747 B11R1.228 Cc1ccoc1CN(C)CF 269982a_100000734364_100015361967 [0,2,0,0,0,0|2,0,0]=4 5748 B11R1.18 CCCCc1sccc1C#N 271570a_100020621405_100009817073 [0,2,0,0,0,0|1,1,0]=4 5749 B11R1.18 CCCCc1sccc1C=O 271570a_100020621405_100009816921 [0,2,0,0,0,0|1,1,0]=4 5750 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [0,2,0,0,0,0|1,1,0]=4 5751 B11R1.18 CCCCc1sccc1CN 271570a_100020621405_100000727803 [0,2,0,0,0,0|1,1,0]=4 5752 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [0,2,0,0,0,0|1,1,0]=4 5753 B11R1.18 CCNCc1cccn1CC 2230a_103496549365_100000210202 [0,2,0,0,0,0|2,0,0]=4 5754 B11R1.18 CCNCc1cccn1CC 270004a_100015525214_100011302050 [0,2,0,0,0,0|2,0,0]=4 5755 B11R1.18 CCNCc1cccn1CC 34a_103496549365_100000210202 [0,2,0,0,0,0|2,0,0]=4 5756 B11R1.18 CCNCc1occc1OC 207a_100015525214_200009856553 [0,2,0,0,0,0|1,0,0]=3 5757 B11R1.18 CCNCc1occc1OC 270004a_100015525214_200009856553 [0,2,0,0,0,0|1,0,0]=3 5758 B11R1.18 CCNCc1sccc1OC 207a_100015525214_100000689126 [0,2,0,0,0,0|1,1,0]=4 5759 B11R1.18 CCNCc1sccc1OC 270004a_100015525214_100000689126 [0,2,0,0,0,0|1,1,0]=4 5760 B11R1.18 CCOCc1ccnn1CC 34a_100011962870_100000210202 [0,2,0,0,0,0|2,0,0]=4 5761 B11R1.18 CCOCc1ccnn1CC 34a_100121572206_100025719316 [0,2,0,0,0,0|2,0,0]=4 5762 B11R1.18 CCOCc1cncn1CC 34a_100121572206_100015185705 [0,2,0,0,0,0|2,0,0]=4 5763 B11R1.18 CCOCc1nccn1CC 7a_100000740674_100000210202 [0,2,0,0,0,0|2,0,0]=4 5764 B11R1.90 CC(C)NCc1cccn1C 34a_100011219357_100000210206 [0,2,0,0,0,0|2,0,0]=4 5765 B11R1.90 CC(C)NCc1sccc1Br 207a_100138425928_100000766043 [0,2,0,0,0,0|1,1,0]=4 5766 B11R1.90 CC(C)NCc1sccc1Cl 207a_100138425928_100000722334 [0,2,0,0,0,0|1,1,0]=4 5767 B11R1.90 CC(C)NCc1sccc1Cl 2230a_100011934584_100000210206 [0,2,0,0,0,0|1,1,0]=4 5768 B11R1.90 CC(C)NCc1sccc1Cl 34a_100011934584_100000210206 [0,2,0,0,0,0|1,1,0]=4 5769 B11R1.90 CC(C)OCc1ccnn1C 34a_100000212225_100000691648 [0,2,0,0,0,0|2,0,0]=4 5770 B11R1.90 CC(C)OCc1ccnn1C 34a_100000684702_100000210206 [0,2,0,0,0,0|2,0,0]=4 5771 B11R1.90 CC(C)OCc1ccsc1Br 34a_100000212225_100009814289 [0,2,0,0,0,0|2,0,0]=4 5772 B11R1.90 CC(C)OCc1ccsc1Br 34a_100009816922_100000210206 [0,2,0,0,0,0|2,0,0]=4 5773 B11R1.90 CC(C)OCc1ccsc1Br 7a_100009816922_100000210206 [0,2,0,0,0,0|2,0,0]=4 5774 B11R1.90 CC(C)OCc1ccsc1Cl 34a_100000212225_100010167017 [0,2,0,0,0,0|2,0,0]=4 5775 B11R1.90 CC(C)OCc1cscc1Br 34a_100000724555_100000210206 [0,2,0,0,0,0|2,0,0]=4 5776 B11R1.90 CC(C)OCc1nccn1C 34a_100000212225_100000700302 [0,2,0,0,0,0|2,0,0]=4 5777 B11R1.90 CC(C)OCc1nccn1C 7a_100000691215_100000210206 [0,2,0,0,0,0|2,0,0]=4 5778 B11R1.90 CC(C)OCc1sccc1Br 34a_100000702026_100000210206 [0,2,0,0,0,0|0,1,0]=3 5779 B11R1.90 CC(C)OCc1sccc1Cl 34a_100000722387_100000210206 [0,2,0,0,0,0|0,1,0]=3 5780 B11R1.90 CC(C)OCc1sccc1Cl 7a_100000722387_100000210206 [0,2,0,0,0,0|0,1,0]=3 5781 B11R1.90 CC(C)OCc1scnc1Br 7a_100012000948_100000210206 [0,2,0,0,0,0|1,1,0]=4 5782 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,2,0,0,0,0|1,0,0]=3 5783 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,2,0,0,0,0|0,0,0]=2 5784 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,2,0,0,0,0|0,0,0]=2 5785 B11R1.90 Cc1ccsc1CNC(C)C 207a_100138425928_100000210881 [0,2,0,0,0,0|1,1,0]=4 5786 B11R1.90 Cc1ccsc1CNC(C)C 2230a_100000238519_100000210206 [0,2,0,0,0,0|1,1,0]=4 5787 B11R1.90 Cc1ccsc1CNC(C)C 34a_100000238519_100000210206 [0,2,0,0,0,0|1,1,0]=4 5788 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,2,0,0,0,0|0,1,0]=3 5789 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,2,0,0,0,0|0,1,0]=3 5790 B11R1.90 Cc1cnoc1COC(C)C 34a_200011065769_100000210206 [0,2,0,0,0,0|1,0,0]=3 5791 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,2,0,0,0,0|1,0,0]=3 5792 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,2,0,0,0,0|1,0,0]=3 5793 B11R1.90 Cc1ncsc1COC(C)C 34a_100000750112_100000210206 [0,2,0,0,0,0|1,1,0]=4 5794 B11R1.90 Cc1ncsc1COC(C)C 7a_100000750112_100000210206 [0,2,0,0,0,0|1,1,0]=4 5795 B11R1.90 Cc1occc1COC(C)C 34a_100011219433_100000210206 [0,2,0,0,0,0|2,0,0]=4 5796 B11R1.90 Cc1occc1COC(C)C 7a_100011219433_100000210206 [0,2,0,0,0,0|2,0,0]=4 5797 B11R1.90 Cc1ocnc1COC(C)C 34a_100000212225_200000693990 [0,2,0,0,0,0|2,0,0]=4 5798 B11R1.90 Cc1ocnc1COC(C)C 34a_100012017639_100000210206 [0,2,0,0,0,0|2,0,0]=4 5799 B11R1.465 CCOCc1c(cnn1C)Br 34a_100012039568_100000210202 [0,2,0,0,0,0|2,0,0]=4 5800 B11R1.510 CC(C)(C)C=Cc1ccco1 271570a_100102527731_100009814098 [0,2,0,0,0,0|1,0,1]=4 5801 B11R1.510 CC(C)(C)CSc1ccco1 62a_100009814098_100011219605 [0,2,0,0,0,0|2,0,0]=4 5802 B11R1.510 CC(C)(C)CSc1ccco1 62a_100011219605_100009814098 [0,2,0,0,0,0|2,0,0]=4 5803 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [0,2,0,0,0,0|1,0,0]=3 5804 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [0,2,0,0,0,0|1,0,0]=3 5805 B11R1.510 CC(C)(C)NCc1cccs1 207a_100000715429_100000209959 [0,2,0,0,0,0|1,1,0]=4 5806 B11R1.510 CC(C)(C)NCc1ncco1 2230a_100000715429_103436540062 [0,2,0,0,0,0|2,0,0]=4 5807 B11R1.510 CC(C)(C)OCc1c[nH]cn1 34a_100015890283_100000707719 [0,2,0,0,0,0|2,0,0]=4 5808 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [0,2,0,0,0,0|0,0,0]=2 5809 B11R1.510 CC(C)(C)OCc1cccs1 34a_100000211240_100000210625 [0,2,0,0,0,0|0,1,0]=3 5810 B11R1.510 CC(C)(C)OCc1ccn[nH]1 34a_100015890283_100000728653 [0,2,0,0,0,0|2,0,0]=4 5811 B11R1.510 CC(C)(C)OCc1ccn[nH]1 7a_100015890283_100000728653 [0,2,0,0,0,0|2,0,0]=4 5812 B11R1.510 CC(C)(C)OCc1ccno1 34a_100000740478_100000210625 [0,2,0,0,0,0|1,0,0]=3 5813 B11R1.510 CC(C)(C)OCc1ccoc1 34a_100011215357_100000210625 [0,2,0,0,0,0|2,0,0]=4 5814 B11R1.510 CC(C)(C)OCc1ccon1 34a_100015890283_100000234950 [0,2,0,0,0,0|2,0,0]=4 5815 B11R1.510 CC(C)(C)OCc1ccon1 7a_100015890283_100000234950 [0,2,0,0,0,0|2,0,0]=4 5816 B11R1.510 CC(C)(C)OCc1ccsc1 34a_100011215551_100000210625 [0,2,0,0,0,0|2,0,0]=4 5817 B11R1.510 CC(C)(C)OCc1ccsc1 34a_100015890283_100011261437 [0,2,0,0,0,0|2,0,0]=4 5818 B11R1.510 CC(C)(C)OCc1ccsc1 7a_100015890283_100011261437 [0,2,0,0,0,0|2,0,0]=4 5819 B11R1.510 CC(C)(C)OCc1cncs1 34a_100015890283_100015185245 [0,2,0,0,0,0|1,1,0]=4 5820 B11R1.510 CC(C)(C)OCc1cncs1 7a_100015890283_100015185245 [0,2,0,0,0,0|1,1,0]=4 5821 B11R1.510 CC(C)(C)OCc1cscn1 34a_100015890283_100000205941 [0,2,0,0,0,0|2,0,0]=4 5822 B11R1.510 CC(C)(C)OCc1cscn1 7a_100015890283_100000205941 [0,2,0,0,0,0|2,0,0]=4 5823 B11R1.510 CC(C)(C)OCc1ncc[nH]1 34a_100015890283_100016991755 [0,2,0,0,0,0|2,0,0]=4 5824 B11R1.510 CC(C)(C)OCc1ncc[nH]1 7a_100015890283_100000753453 [0,2,0,0,0,0|2,0,0]=4 5825 B11R1.510 CC(C)(C)OCc1ncco1 34a_100000062594_100000210625 [0,2,0,0,0,0|1,0,0]=3 5826 B11R1.510 CC(C)(C)OCc1ncco1 34a_100015890283_103436540062 [0,2,0,0,0,0|1,0,0]=3 5827 B11R1.510 CC(C)(C)OCc1ncco1 7a_100015890283_103436540062 [0,2,0,0,0,0|1,0,0]=3 5828 B11R1.510 CC(C)(C)OCc1nccs1 34a_100015890283_100015184050 [0,2,0,0,0,0|1,1,0]=4 5829 B11R1.510 CC(C)(C)OCc1nccs1 7a_100015890283_100015184050 [0,2,0,0,0,0|1,1,0]=4 5830 B11R1.510 CC(C)(C)OCn1cccn1 34a_100000731028_100000210625 [0,2,0,0,0,0|2,0,0]=4 5831 B11R1.510 CC(C)(C)SCc1ncco1 62a_100000211941_103436540062 [0,2,0,0,0,0|1,1,0]=4 5832 B11R1.510 CC(C)(C)SCc1ncco1 62a_103436540062_100000211941 [0,2,0,0,0,0|1,1,0]=4 5833 B11R1.510 CC(C)(F)CSc1ccco1 62a_100009814098_100011997219 [0,2,0,0,0,0|2,0,0]=4 5834 B11R1.510 CC(C)(F)CSc1ccco1 62a_100011997219_100009814098 [0,2,0,0,0,0|2,0,0]=4 5835 B11R1.510 CC(C)(O)C=Cc1ccco1 271570a_200016258132_100009814098 [0,2,0,0,0,0|1,0,1]=4 5836 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,2,0,0,0,0|2,0,0]=4 5837 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,2,0,0,0,0|2,0,0]=4 5838 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,2,0,0,0,0|2,0,0]=4 5839 B11R1.510 FC(F)(F)NCc1ccco1 34a_100000185738_200103152311 [0,2,0,0,0,0|2,0,0]=4 5840 B11R1.510 FC(F)(F)OCc1ccco1 34a_100000210059_200103152311 [0,2,0,0,0,0|1,0,0]=3 5841 B11R1.510 FC(F)(F)OCc1cccs1 34a_100000211240_200103152311 [0,2,0,0,0,0|1,1,0]=4 5842 B11R1.510 FC(F)(F)OCc1ccno1 34a_100000740478_200103152311 [0,2,0,0,0,0|2,0,0]=4 5843 B11R1.510 FC(F)(F)OCc1ncco1 34a_100000062594_200103152311 [0,2,0,0,0,0|2,0,0]=4 5844 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,0,1,1,0,0|1,0,1]=4 5845 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,0,1,1,0,0|2,0,0]=4 5846 B9R1.27 C=Cc1c(noc1C)O 271570a_100011290941_100010730664 [0,0,1,1,0,0|1,0,1]=4 5847 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [1,0,0,1,0,0|2,0,0]=4 5848 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [1,0,0,1,0,0|2,0,0]=4 5849 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [1,0,0,1,0,0|2,0,0]=4 5850 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [1,0,0,1,0,0|2,0,0]=4 5851 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [1,0,0,1,0,0|2,0,0]=4 5852 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|0,0,0]=2 5853 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [1,0,0,1,0,0|1,0,0]=3 5854 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [1,0,0,1,0,0|0,1,0]=3 5855 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [1,0,0,1,0,0|1,1,0]=4 5856 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [1,0,0,1,0,0|2,0,0]=4 5857 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [1,0,0,1,0,0|2,0,0]=4 5858 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [1,0,0,1,0,0|1,0,0]=3 5859 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [1,0,0,1,0,0|1,1,0]=4 5860 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,1,0,1,0,0|1,0,1]=4 5861 B11R2.2 C1=C(CCO1)c2ccco2 271570a_100000118173_100009814098 [0,1,0,1,0,0|0,0,1]=3 5862 B11R2.2 C1=C(CCO1)c2cccs2 271570a_100000118173_100011215356 [0,1,0,1,0,0|0,1,1]=4 5863 B11R2.2 C1=C(CCO1)c2cnco2 271570a_100000118173_100020591547 [0,1,0,1,0,0|1,0,1]=4 5864 B11R2.2 C1=C(CCO1)c2ncco2 271570a_100000118173_100011787736 [0,1,0,1,0,0|1,0,1]=4 5865 B11R2.2 C1=C(COC1)c2ccco2 271570a_100009872500_100009814098 [0,1,0,1,0,0|0,0,1]=3 5866 B11R2.2 C1=C(COC1)c2cccs2 271570a_100009872500_100011215356 [0,1,0,1,0,0|0,1,1]=4 5867 B11R2.2 C1=C(COC1)c2cnco2 271570a_100009872500_100020591547 [0,1,0,1,0,0|1,0,1]=4 5868 B11R2.2 C1=C(COC1)c2ncco2 271570a_100009872500_100011787736 [0,1,0,1,0,0|1,0,1]=4 5869 B11R2.1031 C=C(c1ccco1)C2CC2 271570a_100010895485_100009814098 [0,1,0,1,0,0|1,0,1]=4 5870 B11R2.10 Oc1cc2c(s1)CCCC2 271570a_203496583355_100010127270 [0,1,0,1,0,0|1,1,0]=4 5871 B11R2.352 Cc1noc(n1)C2CCO2 270196a_100000212224_100000089072 [0,1,0,1,0,0|2,0,0]=4 5872 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [0,1,0,1,0,0|1,1,0]=4 5873 B11R2.237 c1coc(c1)SC2CCC2 62a_100009814098_100000749161 [0,1,0,1,0,0|1,0,0]=3 5874 B11R2.237 c1coc(c1)SC2COC2 62a_100009814098_100009818527 [0,1,0,1,0,0|2,0,0]=4 5875 B11R2.237 c1coc(n1)CN2CCC2 269982a_100000754969_103436540062 [0,1,0,1,0,0|2,0,0]=4 5876 B11R2.237 c1coc(n1)SC2CCC2 62a_100011787736_100000749161 [0,1,0,1,0,0|2,0,0]=4 5877 B11R2.237 c1csc(c1)SC2CCC2 62a_100011215356_100000749161 [0,1,0,1,0,0|1,1,0]=4 5878 B11R2.237 c1ncc(o1)SC2CCC2 62a_100020591547_100000749161 [0,1,0,1,0,0|2,0,0]=4 5879 B11R2.385 C(#CC1CC1)c2ccco2 271570a_200009880635_100009814098 [0,1,0,1,0,0|1,0,1]=4 5880 B11R2.385 C(=CC1CC1)c2ccco2 271570a_100102526188_100009814098 [0,1,0,1,0,0|1,0,1]=4 5881 B11R2.385 c1cc(co1)COC2CC2 34a_100011215357_100000211595 [0,1,0,1,0,0|2,0,0]=4 5882 B11R2.385 c1cc(cs1)COC2CC2 34a_100011215551_100000211595 [0,1,0,1,0,0|2,0,0]=4 5883 B11R2.385 c1cc(on1)COC2CC2 34a_100000740478_100000211595 [0,1,0,1,0,0|1,0,0]=3 5884 B11R2.385 c1cnn(c1)COC2CC2 34a_100000731028_100000211595 [0,1,0,1,0,0|2,0,0]=4 5885 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,1,0,1,0,0|1,0,0]=3 5886 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,1,0,1,0,0|0,0,0]=2 5887 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,1,0,1,0,0|1,0,0]=3 5888 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,1,0,1,0,0|1,0,0]=3 5889 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,1,0,1,0,0|2,0,0]=4 5890 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,1,0,1,0,0|2,0,0]=4 5891 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [0,1,0,1,0,0|2,0,0]=4 5892 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [0,1,0,1,0,0|2,0,0]=4 5893 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,1,0,1,0,0|2,0,0]=4 5894 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,1,0,1,0,0|2,0,0]=4 5895 B11R2.385 c1coc(n1)CNC2CC2 34a_100000212008_103436540062 [0,1,0,1,0,0|2,0,0]=4 5896 B11R2.385 c1coc(n1)COC2CC2 34a_100000062594_100000211595 [0,1,0,1,0,0|1,0,0]=3 5897 B11R2.385 c1coc(n1)CSC2CC2 62a_103436540062_100000211595 [0,1,0,1,0,0|1,1,0]=4 5898 B11R2.385 c1coc(n1)SCC2CC2 62a_100000756562_100011787736 [0,1,0,1,0,0|2,0,0]=4 5899 B11R2.385 c1coc(n1)SCC2CC2 62a_100011787736_100000742324 [0,1,0,1,0,0|2,0,0]=4 5900 B11R2.385 c1csc(c1)COC2CC2 34a_100000211240_100000211595 [0,1,0,1,0,0|0,1,0]=3 5901 B11R2.385 c1csc(c1)SCC2CC2 62a_100000756562_100011215356 [0,1,0,1,0,0|1,1,0]=4 5902 B11R2.385 c1csc(c1)SCC2CC2 62a_100011215356_100000742324 [0,1,0,1,0,0|1,1,0]=4 5903 B11R2.385 c1ncc(o1)SCC2CC2 62a_100000756562_100020591547 [0,1,0,1,0,0|2,0,0]=4 5904 B11R2.385 c1ncc(o1)SCC2CC2 62a_100020591547_100000742324 [0,1,0,1,0,0|2,0,0]=4 5905 B11R2.36 CN1CCc2ccsc2C1 2230a_100000694341_200000210301 [0,1,0,1,0,0|1,1,0]=4 5906 B11R2.36 CN1CCc2ccsc2C1 269982a_100000694341_200000210301 [0,1,0,1,0,0|1,1,0]=4 5907 B11R2.36 CN1CCc2ccsc2C1 34a_100000694341_200000210301 [0,1,0,1,0,0|1,1,0]=4 5908 B11R2.36 [13CH3]N1CCc2ccsc2C1 2230a_100000694341_200025704644 [0,1,0,1,0,0|1,1,0]=4 5909 B11R2.36 [13CH3]N1CCc2ccsc2C1 269982a_100000694341_200025704644 [0,1,0,1,0,0|1,1,0]=4 5910 B11R2.36 [13CH3]N1CCc2ccsc2C1 34a_100000694341_200025704644 [0,1,0,1,0,0|1,1,0]=4 5911 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,0,0,2,0|0,0,2]=4 5912 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,0,0,2,0|0,0,2]=4