0 B12R1.8 BrCCCCCc1ccccc1 1P001KHB [0,0,0,0,0,0|1,0,0]=1 1 B12R1.8 BrCCCCOc1ccccc1 1P000QHU [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 BrCCCOCc1ccccc1 1P003OKC [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 BrCCCSCc1ccccc1 1P004EIO [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 C#CCCCSc1ccccc1 1P008LOM [0,0,0,0,0,0|2,0,1]=3 5 B12R1.8 C#CCCOCc1ccccc1 1P01G7ER [0,0,0,0,0,0|2,0,1]=3 6 B12R1.8 C#CCNOCc1ccccc1 1P01KX40 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.8 C=CCCNCc1ccccc1 1P00785Y [0,0,0,0,0,0|2,0,1]=3 8 B12R1.8 C=CCCOCc1ccccc1 1P0069TJ [0,0,0,0,0,0|2,0,1]=3 9 B12R1.8 C=CCNCCc1ccccc1 1P00JU2L [0,0,0,0,0,0|2,0,1]=3 10 B12R1.8 C=CCNCCc1ccccc1 1P00JU2M [0,0,0,0,0,0|2,0,1]=3 11 B12R1.8 CCCCC#Cc1ccccc1 1P003F2E [0,0,0,0,0,0|1,0,2]=3 12 B12R1.8 CCCCC=Cc1ccccc1 1P001RCL [0,0,0,0,0,0|1,0,2]=3 13 B12R1.8 CCCCCC[n+]1ccccc1 1P003728 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.8 CCCCCC[n+]1ccccc1 1P005HU5 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.8 CCCCCC[n+]1ccccc1 1P00DCGB [0,0,0,0,0,0|2,0,0]=2 16 B12R1.8 CCCCCC[n+]1ccccc1 1P00EA3L [0,0,0,0,0,0|2,0,0]=2 17 B12R1.8 CCCCCC[n+]1ccccc1 1P00EA3N [0,0,0,0,0,0|2,0,0]=2 18 B12R1.8 CCCCCCc1ccccc1 1P003RE5 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.8 CCCCCCc1ccccn1 1P003HTW [0,0,0,0,0,0|2,0,0]=2 20 B12R1.8 CCCCCCc1ccncc1 1P00BJCR [0,0,0,0,0,0|2,0,0]=2 21 B12R1.8 CCCCCCc1cnccn1 1P007LJ6 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.8 CCCCCNc1ccccc1 1P002U4M [0,0,0,0,0,0|2,0,0]=2 23 B12R1.8 CCCCCOc1ccccc1 1P00BVIQ [0,0,0,0,0,0|2,0,0]=2 24 B12R1.8 CCCCCSc1ccccc1 1P007S00 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.8 CCCCNCc1ccccc1 1P003T8S [0,0,0,0,0,0|2,0,0]=2 26 B12R1.8 CCCCNCc1cccnc1 1P00J4E8 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.8 CCCCNCc1ccncc1 1P00J4KT [0,0,0,0,0,0|3,0,0]=3 28 B12R1.8 CCCC\N=C\c1ccccc1 1P008YZL [0,0,0,0,0,0|2,0,1]=3 29 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [0,0,0,0,0,0|2,0,0]=2 30 B12R1.8 CCCNCCc1ccccn1 1P003SQQ [0,0,0,0,0,0|3,0,0]=3 31 B12R1.8 CCCNOCc1ccccc1 1P028IDR [0,0,0,0,0,0|3,0,0]=3 32 B12R1.8 CCNCCCc1ccccc1 1P009K28 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.8 CCNCCOc1ccccc1 1P006PVR [0,0,0,0,0,0|3,0,0]=3 34 B12R1.8 CCNC\C=C\c1ccccc1 1P00J4EZ [0,0,0,0,0,0|2,0,2]=4 35 B12R1.8 CCOCCNc1ccccc1 1P02900G [0,0,0,0,0,0|3,0,0]=3 36 B12R1.8 CCOCCSc1ccccn1 1P01FF28 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.8 CNCCCCc1ccccc1 1P00B8FJ [0,0,0,0,0,0|2,0,0]=2 38 B12R1.8 CNCCCCc1ccccc1 1P00D6N4 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.8 CNCCCNc1ccccc1 1P01A8EZ [0,0,0,0,0,0|3,0,0]=3 40 B12R1.8 CNCCCOc1ccccc1 1P001156 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.8 CNCCCSc1ccccc1 1P00J4FT [0,0,0,0,0,0|3,0,0]=3 42 B12R1.8 CNCCNCc1ccccc1 1P00EA7F [0,0,0,0,0,0|3,0,0]=3 43 B12R1.8 CNCCNCc1ccccc1 1P028WW3 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.8 CNCCOCc1ccccc1 1P005XT2 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.8 CNCCOCc1ccccc1 1P00FXY6 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.8 COCCNCc1ccccc1 1P00DL1O [0,0,0,0,0,0|3,0,0]=3 47 B12R1.8 COCCNCc1ccccc1 1P01EJJB [0,0,0,0,0,0|3,0,0]=3 48 B12R1.8 COCCNCc1ccccn1 1P00ECIZ [0,0,0,0,0,0|4,0,0]=4 49 B12R1.8 COCCNCc1ccccn1 1P00J4FU [0,0,0,0,0,0|4,0,0]=4 50 B12R1.8 COCCNCc1cccnc1 1P0081AT [0,0,0,0,0,0|4,0,0]=4 51 B12R1.8 CSCCCNc1cccnc1 1P01BVOK [0,0,0,0,0,0|4,0,0]=4 52 B12R1.8 ClCCCCCc1ccccc1 1P001PVB [0,0,0,0,0,0|1,0,0]=1 53 B12R1.8 ClCCCCOc1ccccc1 1P002TZC [0,0,0,0,0,0|2,0,0]=2 54 B12R1.8 ClCCCNCc1ccncc1 1P019U2Y [0,0,0,0,0,0|3,0,0]=3 55 B12R1.8 ClCCCOCc1ccccc1 1P002TLA [0,0,0,0,0,0|2,0,0]=2 56 B12R1.8 N#CCCC=Cc1ccccc1 1P028WS5 [0,0,0,0,0,0|1,0,3]=4 57 B12R1.8 N#CCCCOc1ccccn1 1P01AK8D [0,0,0,0,0,0|3,0,1]=4 58 B12R1.8 N#CCCNCc1ccccc1 1P003IN2 [0,0,0,0,0,0|2,0,1]=3 59 B12R1.8 N#CCCNCc1ccccn1 1P01AB57 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.8 N#CCCNCc1cccnc1 1P00BZAJ [0,0,0,0,0,0|3,0,1]=4 61 B12R1.8 N#CCCOCc1ccccc1 1P00IBNF [0,0,0,0,0,0|2,0,1]=3 62 B12R1.8 NCCCCCc1ccccc1 1P0025Q4 [0,0,0,0,0,0|1,0,0]=1 63 B12R1.8 NCCCCCc1ccccc1 1P0289DF [0,0,0,0,0,0|1,0,0]=1 64 B12R1.8 NCCCCNc1ccccc1 1P024VNT [0,0,0,0,0,0|2,0,0]=2 65 B12R1.8 NCCCCNc1ccccn1 1P00H2Q5 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.8 NCCCCOc1ccccc1 1P001XQ8 [0,0,0,0,0,0|2,0,0]=2 67 B12R1.8 NCCCCOc1ccccc1 1P00IBRX [0,0,0,0,0,0|2,0,0]=2 68 B12R1.8 NCCCCSc1ncccn1 1P01AUI2 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.8 NCCCNCc1ccccc1 1P001AQL [0,0,0,0,0,0|2,0,0]=2 70 B12R1.8 NCCCOCc1ccccc1 1P001XQ9 [0,0,0,0,0,0|2,0,0]=2 71 B12R1.8 NCCNOCc1ccccc1 1P01DTSG [0,0,0,0,0,0|3,0,0]=3 72 B12R1.8 NCCOCCc1ccccc1 1P0090YQ [0,0,0,0,0,0|2,0,0]=2 73 B12R1.8 NNCCCOc1ccccc1 1P01ABBF [0,0,0,0,0,0|3,0,0]=3 74 B12R1.8 NNCCOCc1ccccc1 1P01BVVI [0,0,0,0,0,0|3,0,0]=3 75 B12R1.8 NOCCOCc1ccccc1 1P001AGY [0,0,0,0,0,0|3,0,0]=3 76 B12R1.8 O=C=NCCCc1ccccc1 1P003KCL [0,0,0,0,0,0|1,0,2]=3 77 B12R1.8 O=C=NCCOc1ccccc1 1P01AS0S [0,0,0,0,0,0|2,0,2]=4 78 B12R1.8 O=CCCCOc1ccccc1 1P002BM4 [0,0,0,0,0,0|1,0,2]=3 79 B12R1.8 O=CCCOCc1ccccc1 1P002BM5 [0,0,0,0,0,0|1,0,2]=3 80 B12R1.8 OCC=CCCc1ccccc1 1P028X9L [0,0,0,0,0,0|0,0,2]=2 81 B12R1.8 OCCCC#Cc1ccccc1 1P002P5M [0,0,0,0,0,0|0,0,2]=2 82 B12R1.8 OCCCCCc1ccccc1 1P003NF3 [0,0,0,0,0,0|0,0,0]=0 83 B12R1.8 OCCCCOc1ccccc1 1P007RNF [0,0,0,0,0,0|1,0,0]=1 84 B12R1.8 OCCCNCc1ccccc1 1P003IN1 [0,0,0,0,0,0|1,0,0]=1 85 B12R1.8 OCCCNCc1ccccc1 1P00J3Y4 [0,0,0,0,0,0|1,0,0]=1 86 B12R1.8 OCCCNCc1ccccn1 1P005Y1C [0,0,0,0,0,0|2,0,0]=2 87 B12R1.8 OCCCNCc1cccnc1 1P005LGY [0,0,0,0,0,0|2,0,0]=2 88 B12R1.8 OCCCNCc1cccnc1 1P00J4KP [0,0,0,0,0,0|2,0,0]=2 89 B12R1.8 OCCCNCc1ccncc1 1P0065EX [0,0,0,0,0,0|2,0,0]=2 90 B12R1.8 OCCCNCc1ccncc1 1P00J4I9 [0,0,0,0,0,0|2,0,0]=2 91 B12R1.8 OCCCNCc1ccncc1 1P028U4F [0,0,0,0,0,0|2,0,0]=2 92 B12R1.8 OCCCOCc1ccccc1 1P003JFE [0,0,0,0,0,0|1,0,0]=1 93 B12R1.8 OCCCSCc1ccccc1 1P01AC5V [0,0,0,0,0,0|1,0,0]=1 94 B12R1.8 OCCC\C=C\c1ccccc1 1P000ZXO [0,0,0,0,0,0|0,0,2]=2 95 B12R1.8 OCCNCCc1ccccc1 1P00BW7K [0,0,0,0,0,0|1,0,0]=1 96 B12R1.8 OCCOCCc1ccccc1 1P005HXR [0,0,0,0,0,0|1,0,0]=1 97 B12R1.8 OCCSCCc1ccccn1 1P00C2L8 [0,0,0,0,0,0|2,0,0]=2 98 B12R1.8 OCCSCCc1ccncc1 1P005P10 [0,0,0,0,0,0|2,0,0]=2 99 B12R1.8 S=C=NCCSc1ccccc1 1P00C74T [0,0,0,0,0,0|2,1,1]=4 100 B12R1.8 [C-]#[N+]CCOCc1ccccc1 1P0285NV [0,0,0,0,0,0|3,0,0]=3 101 B12R1.8 [N-]=[N+]=NCCCc1ccccc1 1P019U5R [0,0,0,0,0,0|3,0,0]=3 102 B11R1.28 BrCCCCc1ccccc1 1P001243 [1,0,0,0,0,0|1,0,0]=2 103 B11R1.28 BrCCCOc1ccccc1 1P003KBT [1,0,0,0,0,0|2,0,0]=3 104 B11R1.28 BrCCOCc1ccccc1 1P001E9R [1,0,0,0,0,0|2,0,0]=3 105 B11R1.28 BrCCSCc1ccccc1 1P01AMPW [1,0,0,0,0,0|2,0,0]=3 106 B11R1.28 BrCC\C=C\c1ccccc1 1P005EJI [1,0,0,0,0,0|1,0,2]=4 107 B11R1.28 C#CCCOc1ccccc1 1P001P0F [1,0,0,0,0,0|1,0,2]=4 108 B11R1.28 C#CCNCc1ccccc1 1P000PYH [1,0,0,0,0,0|1,0,2]=4 109 B11R1.28 C#CCNCc1ccccc1 1P00J1E3 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.28 C#CCOCc1ccccc1 1P0038C3 [1,0,0,0,0,0|1,0,2]=4 111 B11R1.28 C=CCNCc1ccccc1 1P002O21 [1,0,0,0,0,0|1,0,2]=4 112 B11R1.28 C=CCNCc1ccccc1 1P003T6B [1,0,0,0,0,0|1,0,2]=4 113 B11R1.28 C=CCOCc1ccccc1 1P001DZF [1,0,0,0,0,0|1,0,2]=4 114 B11R1.28 CC#CCOc1ccccc1 1P0071UP [1,0,0,0,0,0|1,0,2]=4 115 B11R1.28 CCCC#Cc1ccccc1 1P00242B [1,0,0,0,0,0|0,0,2]=3 116 B11R1.28 CCCCCc1ccccc1 1P003F3E [1,0,0,0,0,0|0,0,0]=1 117 B11R1.28 CCCCCc1ccccn1 1P002M24 [1,0,0,0,0,0|1,0,0]=2 118 B11R1.28 CCCCCc1cccnc1 1P00228X [1,0,0,0,0,0|1,0,0]=2 119 B11R1.28 CCCCCc1ccncc1 1P002ZCV [1,0,0,0,0,0|1,0,0]=2 120 B11R1.28 CCCCNc1ccccc1 1P0035TY [1,0,0,0,0,0|1,0,0]=2 121 B11R1.28 CCCCNc1ccccn1 1P00CKOP [1,0,0,0,0,0|2,0,0]=3 122 B11R1.28 CCCCNc1cccnc1 1P01BVMQ [1,0,0,0,0,0|2,0,0]=3 123 B11R1.28 CCCCNc1ccncc1 1P00D2IH [1,0,0,0,0,0|2,0,0]=3 124 B11R1.28 CCCCOc1ccccc1 1P003P21 [1,0,0,0,0,0|1,0,0]=2 125 B11R1.28 CCCCOc1ccccn1 1P003I8F [1,0,0,0,0,0|2,0,0]=3 126 B11R1.28 CCCCSc1ccccc1 1P0079TG [1,0,0,0,0,0|1,0,0]=2 127 B11R1.28 CCCNCc1ccccc1 1P00296T [1,0,0,0,0,0|1,0,0]=2 128 B11R1.28 CCCNCc1ccccn1 1P006V7Q [1,0,0,0,0,0|2,0,0]=3 129 B11R1.28 CCCNCc1ccccn1 1P00JTXU [1,0,0,0,0,0|2,0,0]=3 130 B11R1.28 CCCNCc1cccnc1 1P002B71 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.28 CCCNCc1cccnc1 1P0288SO [1,0,0,0,0,0|2,0,0]=3 132 B11R1.28 CCCNCc1ccncc1 1P00654U [1,0,0,0,0,0|2,0,0]=3 133 B11R1.28 CCCNCc1ccncc1 1P00JTXY [1,0,0,0,0,0|2,0,0]=3 134 B11R1.28 CCC\C=C\c1ccccc1 1P001S3B [1,0,0,0,0,0|0,0,2]=3 135 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [1,0,0,0,0,0|1,0,0]=2 136 B11R1.28 CCNCCc1ccccc1 1P019M64 [1,0,0,0,0,0|1,0,0]=2 137 B11R1.28 CCNCCc1ccccn1 1P003THI [1,0,0,0,0,0|2,0,0]=3 138 B11R1.28 CCNOCc1ccccc1 1P002G3E [1,0,0,0,0,0|2,0,0]=3 139 B11R1.28 CCOCCc1ccccc1 1P00AP6J [1,0,0,0,0,0|1,0,0]=2 140 B11R1.28 CCOCCc1ccccn1 1P002WIS [1,0,0,0,0,0|2,0,0]=3 141 B11R1.28 CCONCc1ccccc1 1P01C29H [1,0,0,0,0,0|2,0,0]=3 142 B11R1.28 CCO\C=N\c1ccccc1 1P003QWU [1,0,0,0,0,0|2,0,1]=4 143 B11R1.28 CNCC#Cc1ccccc1 1P029306 [1,0,0,0,0,0|1,0,2]=4 144 B11R1.28 CNCCCc1ccccc1 1P002O7F [1,0,0,0,0,0|1,0,0]=2 145 B11R1.28 CNCCCc1ccccn1 1P001OQK [1,0,0,0,0,0|2,0,0]=3 146 B11R1.28 CNCCNc1ccccn1 1P01DZOL [1,0,0,0,0,0|3,0,0]=4 147 B11R1.28 CNCCOc1ccccc1 1P003TN4 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.28 CNC\C=C\c1ccccc1 1P0035UW [1,0,0,0,0,0|1,0,2]=4 149 B11R1.28 COCCNc1ccccc1 1P01C1WU [1,0,0,0,0,0|2,0,0]=3 150 B11R1.28 COCCNc1ccccn1 1P01FW0L [1,0,0,0,0,0|3,0,0]=4 151 B11R1.28 COCCNc1ccncc1 1P01AIKA [1,0,0,0,0,0|3,0,0]=4 152 B11R1.28 COCCOc1ccccc1 1P00D7EK [1,0,0,0,0,0|2,0,0]=3 153 B11R1.28 COCCOc1cccnc1 1P024HEX [1,0,0,0,0,0|3,0,0]=4 154 B11R1.28 COCCSc1ccccc1 1P003I0V [1,0,0,0,0,0|2,0,0]=3 155 B11R1.28 ClCC#CCc1ccccc1 1P01DWT8 [1,0,0,0,0,0|1,0,2]=4 156 B11R1.28 ClCCCCc1ccccc1 1P003EOX [1,0,0,0,0,0|1,0,0]=2 157 B11R1.28 ClCCCCc1ccncc1 1P001M6V [1,0,0,0,0,0|2,0,0]=3 158 B11R1.28 ClCCCCc1ccncc1 1P003KJL [1,0,0,0,0,0|2,0,0]=3 159 B11R1.28 ClCCCOc1ccccc1 1P00CO1R [1,0,0,0,0,0|2,0,0]=3 160 B11R1.28 ClCCNCc1ccccc1 1P00EA7Z [1,0,0,0,0,0|2,0,0]=3 161 B11R1.28 ClCCOCc1ccccc1 1P003OK8 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.28 ClCCSCc1ccccc1 1P00DGAK [1,0,0,0,0,0|2,0,0]=3 163 B11R1.28 FCCNCc1ccccc1 1P027TSS [1,0,0,0,0,0|2,0,0]=3 164 B11R1.28 ICCCCc1ccccc1 1P01J3BS [1,0,0,0,0,0|1,0,0]=2 165 B11R1.28 ICCOCc1ccccc1 1P003EH4 [1,0,0,0,0,0|2,0,0]=3 166 B11R1.28 N#CCCCc1ccccc1 1P002A2B [1,0,0,0,0,0|1,0,1]=3 167 B11R1.28 N#CCCNc1ccccc1 1P0038H2 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.28 N#CCCOc1ccccc1 1P0030ZW [1,0,0,0,0,0|2,0,1]=4 169 B11R1.28 N#CCNCc1ccccc1 1P00BJRT [1,0,0,0,0,0|2,0,1]=4 170 B11R1.28 N#CCOCc1ccccc1 1P0080MM [1,0,0,0,0,0|2,0,1]=4 171 B11R1.28 N#CCSCc1ccccc1 1P001ZN8 [1,0,0,0,0,0|2,0,1]=4 172 B11R1.28 NCCCCc1ccccc1 1P0010R7 [1,0,0,0,0,0|1,0,0]=2 173 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.28 NCCCCc1ccccn1 1P00C6I4 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.28 NCCCCc1cccnc1 1P00G66Q [1,0,0,0,0,0|2,0,0]=3 176 B11R1.28 NCCCCc1ccncc1 1P0286VO [1,0,0,0,0,0|2,0,0]=3 177 B11R1.28 NCCCNc1ccccc1 1P00DLVB [1,0,0,0,0,0|2,0,0]=3 178 B11R1.28 NCCCNc1ccccn1 1P027ZTQ [1,0,0,0,0,0|3,0,0]=4 179 B11R1.28 NCCCNc1ccncc1 1P00JTBX [1,0,0,0,0,0|3,0,0]=4 180 B11R1.28 NCCCOc1ccccc1 1P008OQY [1,0,0,0,0,0|2,0,0]=3 181 B11R1.28 NCCCOc1ccccc1 1P00G5UX [1,0,0,0,0,0|2,0,0]=3 182 B11R1.28 NCCCOc1ccccn1 1P000P5Y [1,0,0,0,0,0|3,0,0]=4 183 B11R1.28 NCCCOc1cccnc1 1P008429 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.28 NCCCOc1ccncc1 1P01ADCO [1,0,0,0,0,0|3,0,0]=4 185 B11R1.28 NCCCSc1ccccc1 1P002DXM [1,0,0,0,0,0|2,0,0]=3 186 B11R1.28 NCCCSc1ccccc1 1P00G4KQ [1,0,0,0,0,0|2,0,0]=3 187 B11R1.28 NCCCSc1ccccn1 1P01B9Z5 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.28 NCCNCc1ccccc1 1P003T8D [1,0,0,0,0,0|2,0,0]=3 189 B11R1.28 NCCNCc1ccccn1 1P002KPF [1,0,0,0,0,0|3,0,0]=4 190 B11R1.28 NCCNCc1ccccn1 1P027IZJ [1,0,0,0,0,0|3,0,0]=4 191 B11R1.28 NCCOCc1ccccc1 1P00381B [1,0,0,0,0,0|2,0,0]=3 192 B11R1.28 NCCOCc1ccccc1 1P003H25 [1,0,0,0,0,0|2,0,0]=3 193 B11R1.28 NCCSCc1ccccc1 1P003UO3 [1,0,0,0,0,0|2,0,0]=3 194 B11R1.28 NCCSCc1ccccc1 1P008VQA [1,0,0,0,0,0|2,0,0]=3 195 B11R1.28 NNCCCc1ccccc1 1P01ABBG [1,0,0,0,0,0|2,0,0]=3 196 B11R1.28 NNCCOc1ccccc1 1P00D6O2 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.28 NOCCOc1ccccc1 1P00FWZA [1,0,0,0,0,0|3,0,0]=4 198 B11R1.28 O=C=NCCc1ccccc1 1P003C49 [1,0,0,0,0,0|1,0,2]=4 199 B11R1.28 O=CCCCc1ccccc1 1P0027XM [1,0,0,0,0,0|0,0,2]=3 200 B11R1.28 O=CCCCc1cccnc1 1P001DYB [1,0,0,0,0,0|1,0,2]=4 201 B11R1.28 O=CCCOc1ccccc1 1P01FTPQ [1,0,0,0,0,0|1,0,2]=4 202 B11R1.28 O=CCOCc1ccccc1 1P0036FA [1,0,0,0,0,0|1,0,2]=4 203 B11R1.28 O=CCSCc1ccccc1 1P005AIQ [1,0,0,0,0,0|1,0,2]=4 204 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [1,0,0,0,0,0|1,0,2]=4 205 B11R1.28 O=COCCc1ccccc1 1P003U4Q [1,0,0,0,0,0|1,0,2]=4 206 B11R1.28 OCCC#Cc1ccccc1 1P0007L8 [1,0,0,0,0,0|0,0,2]=3 207 B11R1.28 OCCC#Cc1ccccn1 1P00CTC3 [1,0,0,0,0,0|1,0,2]=4 208 B11R1.28 OCCC#Cc1cccnc1 1P0019QT [1,0,0,0,0,0|1,0,2]=4 209 B11R1.28 OCCC#Cc1ccncc1 1P002GMW [1,0,0,0,0,0|1,0,2]=4 210 B11R1.28 OCCCCc1ccccc1 1P0034LL [1,0,0,0,0,0|0,0,0]=1 211 B11R1.28 OCCCCc1ccccn1 1P0027H1 [1,0,0,0,0,0|1,0,0]=2 212 B11R1.28 OCCCCc1cccnc1 1P003KI6 [1,0,0,0,0,0|1,0,0]=2 213 B11R1.28 OCCCCc1ccncc1 1P00349S [1,0,0,0,0,0|1,0,0]=2 214 B11R1.28 OCCCNc1ccccn1 1P002F72 [1,0,0,0,0,0|2,0,0]=3 215 B11R1.28 OCCCNc1ccncc1 1P01AB9S [1,0,0,0,0,0|2,0,0]=3 216 B11R1.28 OCCCNc1ccncc1 1P028CNK [1,0,0,0,0,0|2,0,0]=3 217 B11R1.28 OCCCOc1ccccc1 1P00IBDS [1,0,0,0,0,0|1,0,0]=2 218 B11R1.28 OCCCOc1ccncc1 1P00BBQ7 [1,0,0,0,0,0|2,0,0]=3 219 B11R1.28 OCCCSc1ccccc1 1P00BKA5 [1,0,0,0,0,0|1,0,0]=2 220 B11R1.28 OCCCSc1ccccn1 1P01BSED [1,0,0,0,0,0|2,0,0]=3 221 B11R1.28 OCCNCc1ccccc1 1P0035SZ [1,0,0,0,0,0|1,0,0]=2 222 B11R1.28 OCCNCc1cccnc1 1P00FBHE [1,0,0,0,0,0|2,0,0]=3 223 B11R1.28 OCCOCc1ccccc1 1P003A8A [1,0,0,0,0,0|1,0,0]=2 224 B11R1.28 OCCOCc1ccccc1 1P01GJYO [1,0,0,0,0,0|1,0,0]=2 225 B11R1.28 OCCSCc1ccccc1 1P00BY6S [1,0,0,0,0,0|1,0,0]=2 226 B11R1.28 OCCSCc1ccccn1 1P01B705 [1,0,0,0,0,0|2,0,0]=3 227 B11R1.28 OCCSCc1ncccn1 1P01B75Z [1,0,0,0,0,0|3,0,0]=4 228 B11R1.28 OCCSSc1ccccn1 1P0039RT [1,0,0,0,0,0|3,0,0]=4 229 B11R1.28 S=C=NCCc1ccccc1 1P003IC3 [1,0,0,0,0,0|1,1,1]=4 230 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [1,0,0,0,0,0|0,1,0]=2 231 B11R1.28 SCCCOc1ccccc1 1P01A89E [1,0,0,0,0,0|1,1,0]=3 232 B11R1.28 [N-]=[N+]=NCCc1ccccc1 1P005SFL [1,0,0,0,0,0|3,0,0]=4 233 B13R1.6 C#CCCCCc1cccc(c1)Br 1P028886 [0,1,0,0,0,0|1,0,1]=3 234 B13R1.6 CCCCCCc1cccc(c1)Br 1P003EL1 [0,1,0,0,0,0|1,0,0]=2 235 B13R1.6 CCCCCCc1cccc(c1)N 1P00CN32 [0,1,0,0,0,0|1,0,0]=2 236 B13R1.6 CCCCNCc1cccc(c1)Br 1P00J4HS [0,1,0,0,0,0|2,0,0]=3 237 B13R1.6 CCCCNCc1cccc(c1)Cl 1P00J4K7 [0,1,0,0,0,0|2,0,0]=3 238 B13R1.6 CCCNCCc1cccc(c1)F 1P01AIJO [0,1,0,0,0,0|2,0,0]=3 239 B13R1.6 CCNCCOc1cccc(c1)Br 1P00GW6I [0,1,0,0,0,0|3,0,0]=4 240 B13R1.6 CCNCCOc1cccc(c1)C 1P00GU6S [0,1,0,0,0,0|3,0,0]=4 241 B13R1.6 CCNCCOc1cccc(c1)Cl 1P00J4I6 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.6 CCOCCOc1cccc(c1)N 1P00909Y [0,1,0,0,0,0|3,0,0]=4 243 B13R1.6 CNCCCCc1cccc(c1)Br 1P01FJ4E [0,1,0,0,0,0|2,0,0]=3 244 B13R1.6 CNCCCOc1cccc(c1)Br 1P00GWD4 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.6 CNCCCOc1cccc(c1)C 1P006TFK [0,1,0,0,0,0|3,0,0]=4 246 B13R1.6 CNCCCOc1cccc(c1)Cl 1P00C6CC [0,1,0,0,0,0|3,0,0]=4 247 B13R1.6 COCCCNc1cccc(c1)N 1P019ZFY [0,1,0,0,0,0|3,0,0]=4 248 B13R1.6 COCCCOc1cccc(c1)N 1P0099JF [0,1,0,0,0,0|3,0,0]=4 249 B13R1.6 COCCOCc1cccc(c1)Br 1P000NOF [0,1,0,0,0,0|3,0,0]=4 250 B13R1.6 COCCOCc1cccc(c1)N 1P019VM5 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.6 COCCSCc1cccc(c1)N 1P01AJKQ [0,1,0,0,0,0|3,0,0]=4 252 B13R1.6 N#CCCCOc1cccc(c1)Cl 1P01EK7F [0,1,0,0,0,0|2,0,1]=4 253 B13R1.6 N#CCCCOc1cccc(c1)N 1P019VZ9 [0,1,0,0,0,0|2,0,1]=4 254 B13R1.6 N#CCCOCc1cccc(c1)Cl 1P02871J [0,1,0,0,0,0|2,0,1]=4 255 B13R1.6 NCCCCNc1cccc(n1)Br 1P027VZY [0,1,0,0,0,0|3,0,0]=4 256 B13R1.6 NCCCSCc1cccc(c1)C 1P007DJT [0,1,0,0,0,0|2,0,0]=3 257 B13R1.6 NCCCSCc1cccc(c1)Cl 1P008W38 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.6 OCCCCCc1cccc(c1)Br 1P028ZX6 [0,1,0,0,0,0|0,0,0]=1 259 B13R1.6 OCCCNCc1cccc(c1)Cl 1P01A1TJ [0,1,0,0,0,0|1,0,0]=2 260 B13R1.9 BrCCCCOc1ccc(cc1)Br 1P01BIHB [0,1,0,0,0,0|2,0,0]=3 261 B13R1.9 BrCCCCOc1ccc(cc1)Cl 1P00299H [0,1,0,0,0,0|2,0,0]=3 262 B13R1.9 BrCCCNCc1ccc(cc1)Cl 1P01V1PO [0,1,0,0,0,0|2,0,0]=3 263 B13R1.9 Brc1ccc(cc1)CCCN=[N+]=[N-] 1P0287UA [0,1,0,0,0,0|3,0,0]=4 264 B13R1.9 C#CCCCCc1ccc(cc1)O 1P028DFU [0,1,0,0,0,0|1,0,1]=3 265 B13R1.9 CCCCCCc1ccc(cc1)Br 1P002ONY [0,1,0,0,0,0|1,0,0]=2 266 B13R1.9 CCCCCCc1ccc(cc1)C 1P001RLJ [0,1,0,0,0,0|1,0,0]=2 267 B13R1.9 CCCCCCc1ccc(cc1)N 1P007H77 [0,1,0,0,0,0|1,0,0]=2 268 B13R1.9 CCCCCCc1ccc(cc1)O 1P003MAY [0,1,0,0,0,0|1,0,0]=2 269 B13R1.9 CCCCCOc1ccc(cc1)Br 1P0031MR [0,1,0,0,0,0|2,0,0]=3 270 B13R1.9 CCCCCOc1ccc(cc1)N 1P00BYPS [0,1,0,0,0,0|2,0,0]=3 271 B13R1.9 CCCCCOc1ccc(cc1)N 1P028610 [0,1,0,0,0,0|2,0,0]=3 272 B13R1.9 CCCCCOc1ccc(cc1)O 1P002EFV [0,1,0,0,0,0|2,0,0]=3 273 B13R1.9 CCCCCOc1ccc(cn1)Br 1P01AJSU [0,1,0,0,0,0|3,0,0]=4 274 B13R1.9 CCCCNCc1ccc(cc1)Br 1P00J23D [0,1,0,0,0,0|2,0,0]=3 275 B13R1.9 CCCCNCc1ccc(cc1)C 1P00ADC2 [0,1,0,0,0,0|2,0,0]=3 276 B13R1.9 CCCCNCc1ccc(cc1)C 1P00BBY9 [0,1,0,0,0,0|2,0,0]=3 277 B13R1.9 CCCCNCc1ccc(cc1)F 1P00ECLR [0,1,0,0,0,0|2,0,0]=3 278 B13R1.9 CCCCNCc1ccc(cc1)O 1P00JTYE [0,1,0,0,0,0|2,0,0]=3 279 B13R1.9 CCNCCOc1ccc(cc1)Br 1P00J4DQ [0,1,0,0,0,0|3,0,0]=4 280 B13R1.9 CCNCCOc1ccc(cc1)C 1P006TVN [0,1,0,0,0,0|3,0,0]=4 281 B13R1.9 CCNCCOc1ccc(cc1)Cl 1P00J4IA [0,1,0,0,0,0|3,0,0]=4 282 B13R1.9 CCOCCNc1ccc(cc1)Cl 1P01C2ZZ [0,1,0,0,0,0|3,0,0]=4 283 B13R1.9 CCOCCOc1ccc(cc1)N 1P00J24D [0,1,0,0,0,0|3,0,0]=4 284 B13R1.9 CNCCCOc1ccc(cc1)Br 1P01ELMU [0,1,0,0,0,0|3,0,0]=4 285 B13R1.9 CNCCCOc1ccc(cc1)C 1P006TFJ [0,1,0,0,0,0|3,0,0]=4 286 B13R1.9 CNCCCOc1ccc(cc1)Cl 1P00GT8R [0,1,0,0,0,0|3,0,0]=4 287 B13R1.9 CNCCCOc1ccc(cc1)F 1P0045QS [0,1,0,0,0,0|3,0,0]=4 288 B13R1.9 CNCCCOc1ccc(cc1)F 1P019NF5 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.9 COCCCNc1ccc(cc1)C 1P01BZ3D [0,1,0,0,0,0|3,0,0]=4 290 B13R1.9 COCCCSc1ccc(cc1)N 1P01AIBE [0,1,0,0,0,0|3,0,0]=4 291 B13R1.9 COCCNCc1ccc(cc1)Br 1P00J4JS [0,1,0,0,0,0|3,0,0]=4 292 B13R1.9 COCCNCc1ccc(cc1)F 1P008JM0 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.9 COCCNCc1ccc(cc1)F 1P00J1JO [0,1,0,0,0,0|3,0,0]=4 294 B13R1.9 COCCOCc1ccc(cc1)Br 1P00AS05 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.9 COCCOCc1ccc(cc1)N 1P01BW89 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.9 N#CCCCOc1ccc(cc1)F 1P019M0M [0,1,0,0,0,0|2,0,1]=4 297 B13R1.9 NCCCCCc1ccc(cc1)Br 1P027ZW4 [0,1,0,0,0,0|1,0,0]=2 298 B13R1.9 NCCCCCc1ccc(cc1)Cl 1P028EOJ [0,1,0,0,0,0|1,0,0]=2 299 B13R1.9 NCCCCCc1ccc(cc1)F 1P01AG1S [0,1,0,0,0,0|1,0,0]=2 300 B13R1.9 NCCCCNc1ccc(cn1)Br 1P002CM3 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.9 NCCCCOc1ccc(cc1)C 1P019V4S [0,1,0,0,0,0|2,0,0]=3 302 B13R1.9 NCCCCOc1ccc(cc1)Cl 1P019PA1 [0,1,0,0,0,0|2,0,0]=3 303 B13R1.9 NCCCCOc1ccc(cc1)F 1P019M36 [0,1,0,0,0,0|2,0,0]=3 304 B13R1.9 NCCCCOc1ccc(cc1)F 1P019PAS [0,1,0,0,0,0|2,0,0]=3 305 B13R1.9 NCCCSCc1ccc(cc1)Cl 1P0066R5 [0,1,0,0,0,0|2,0,0]=3 306 B13R1.9 OCCCCNc1ccc(cn1)Br 1P01BCE1 [0,1,0,0,0,0|2,0,0]=3 307 B13R1.9 OCCCCOc1ccc(cc1)Br 1P01BNY7 [0,1,0,0,0,0|1,0,0]=2 308 B13R1.9 OCCCCOc1ccc(cc1)O 1P01JMP7 [0,1,0,0,0,0|1,0,0]=2 309 B13R1.9 OCCCNCc1ccc(cc1)C 1P00J3R2 [0,1,0,0,0,0|1,0,0]=2 310 B13R1.9 OCCCNCc1ccc(cc1)Cl 1P00J1JI [0,1,0,0,0,0|1,0,0]=2 311 B13R1.9 OCCCNCc1ccc(cc1)F 1P001WCH [0,1,0,0,0,0|1,0,0]=2 312 B13R1.9 OCCCNCc1ccc(cc1)F 1P00J1JJ [0,1,0,0,0,0|1,0,0]=2 313 B13R1.9 OCCNCCc1ccc(cc1)N 1P01BBJB [0,1,0,0,0,0|1,0,0]=2 314 B13R1.24 C#CCCCC(c1ccccn1)O 1P028NQP [0,1,0,0,0,0|2,0,1]=4 315 B13R1.24 C=CCCCC(=O)c1ccccc1 1P01BUED [0,1,0,0,0,0|1,0,2]=4 316 B13R1.24 C=CCCCC(c1ccccc1)N 1P01BUNO [0,1,0,0,0,0|1,0,1]=3 317 B13R1.24 CC(c1ccccc1)OCCC#N 1P019UTF [0,1,0,0,0,0|2,0,1]=4 318 B13R1.24 CCCCCC(=O)c1ccccc1 1P003RDL [0,1,0,0,0,0|1,0,1]=3 319 B13R1.24 CCCCCC(c1ccccc1)N 1P01AARQ [0,1,0,0,0,0|1,0,0]=2 320 B13R1.24 CCCCCC(c1ccccc1)O 1P003F2D [0,1,0,0,0,0|1,0,0]=2 321 B13R1.24 CCCCNC(=O)c1ccccc1 1P002VBO [0,1,0,0,0,0|2,0,1]=4 322 B13R1.24 CCCCNC(c1ccccc1)C 1P01AKDM [0,1,0,0,0,0|2,0,0]=3 323 B13R1.24 CCCCOC(=O)c1ccccc1 1P007MQ7 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.24 COCCCC(c1cccnc1)N 1P028359 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.24 COCCNC(c1ccccc1)C 1P019M8I [0,1,0,0,0,0|3,0,0]=4 326 B13R1.24 ClCCCOC(=O)c1ccccc1 1P006COE [0,1,0,0,0,0|2,0,1]=4 327 B13R1.24 FCCCNC(=O)c1ccccc1 1P0280UC [0,1,0,0,0,0|2,0,1]=4 328 B13R1.24 NC(c1ccccc1)CCCC#N 1P01AMDK [0,1,0,0,0,0|1,0,1]=3 329 B13R1.24 NCCCCN(c1ccccc1)C 1P019X8W [0,1,0,0,0,0|2,0,0]=3 330 B13R1.24 NCCCNC(=O)c1ccccc1 1P00ELTI [0,1,0,0,0,0|2,0,1]=4 331 B13R1.24 NCCCNC(=O)c1ccccc1 1P01B1NQ [0,1,0,0,0,0|2,0,1]=4 332 B13R1.24 NCCCOC(c1ccccc1)C 1P019P22 [0,1,0,0,0,0|2,0,0]=3 333 B13R1.24 OCCCCN(c1ccccc1)C 1P007VBZ [0,1,0,0,0,0|1,0,0]=2 334 B13R1.24 OCCCNC(c1ccccc1)C 1P000YBJ [0,1,0,0,0,0|1,0,0]=2 335 B13R1.24 OCCCOC(=O)c1cccnc1 1P0006JG [0,1,0,0,0,0|2,0,1]=4 336 B13R1.28 BrCCCCCCc1ccccc1 1P00BD24 [0,1,0,0,0,0|1,0,0]=2 337 B13R1.28 BrCCCCCOc1ccccc1 1P002LZ3 [0,1,0,0,0,0|1,0,0]=2 338 B13R1.28 BrCCCCOCc1ccccc1 1P0037K9 [0,1,0,0,0,0|1,0,0]=2 339 B13R1.28 BrCCOCCOc1ccccc1 1P019VDU [0,1,0,0,0,0|2,0,0]=3 340 B13R1.28 C=CCCCOCc1ccccc1 1P0052Q1 [0,1,0,0,0,0|1,0,1]=3 341 B13R1.28 C=CCCNOCc1ccccc1 1P01AVIQ [0,1,0,0,0,0|2,0,1]=4 342 B13R1.28 C=CCNCCSc1ccccc1 1P00ABRS [0,1,0,0,0,0|2,0,1]=4 343 B13R1.28 CCCCCCCc1ccccc1 1P009PY5 [0,1,0,0,0,0|1,0,0]=2 344 B13R1.28 CCCCCCNc1ccccc1 1P003TIX [0,1,0,0,0,0|1,0,0]=2 345 B13R1.28 CCCCNOCc1ccccc1 1P01NWKF [0,1,0,0,0,0|2,0,0]=3 346 B13R1.28 CCCNC\C=C\c1ccccc1 1P00J4FJ [0,1,0,0,0,0|1,0,2]=4 347 B13R1.28 CCOCCCNc1ccncc1 1P01C0SD [0,1,0,0,0,0|3,0,0]=4 348 B13R1.28 CCOCCSCc1ccccc1 1P01FFSQ [0,1,0,0,0,0|2,0,0]=3 349 B13R1.28 CNCCCOCc1ccccc1 1P00AVUR [0,1,0,0,0,0|2,0,0]=3 350 B13R1.28 COCCCN=Cc1ccccc1 1P007WW5 [0,1,0,0,0,0|1,0,1]=3 351 B13R1.28 COCCCNCc1ccccc1 1P00J1K0 [0,1,0,0,0,0|1,0,0]=2 352 B13R1.28 COCCCNCc1ccncc1 1P01ABXO [0,1,0,0,0,0|2,0,0]=3 353 B13R1.28 COCCNCCc1ccccc1 1P019M8D [0,1,0,0,0,0|1,0,0]=2 354 B13R1.28 ClCCCOCCc1ccccc1 1P019VN3 [0,1,0,0,0,0|1,0,0]=2 355 B13R1.28 ICCCCOCc1ccccc1 1P00DGVE [0,1,0,0,0,0|1,0,0]=2 356 B13R1.28 N#CCCCNCc1ccccc1 1P00GD1D [0,1,0,0,0,0|1,0,1]=3 357 B13R1.28 N#CCCCOCc1ccccc1 1P023S0U [0,1,0,0,0,0|1,0,1]=3 358 B13R1.28 N#CCCOCCc1ccccn1 1P0169HU [0,1,0,0,0,0|2,0,1]=4 359 B13R1.28 NCCCCCCc1ccccc1 1P00AQ1G [0,1,0,0,0,0|1,0,0]=2 360 B13R1.28 NCCCCNCc1ccccn1 1P028Y68 [0,1,0,0,0,0|2,0,0]=3 361 B13R1.28 NCCCCOCc1ccccc1 1P01A8NN [0,1,0,0,0,0|1,0,0]=2 362 B13R1.28 NCCCCOCc1ccccc1 1P028AS7 [0,1,0,0,0,0|1,0,0]=2 363 B13R1.28 NCCCOCCc1ccccc1 1P019WGF [0,1,0,0,0,0|1,0,0]=2 364 B13R1.28 NCCOCCOc1ccccc1 1P019VXO [0,1,0,0,0,0|2,0,0]=3 365 B13R1.28 NNCCCOCc1ccccc1 1P01BW93 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.28 O=C=NCCCOc1ccccc1 1P019ZW7 [0,1,0,0,0,0|1,0,2]=4 367 B13R1.28 O=C=NCCOCc1ccccc1 1P005BUZ [0,1,0,0,0,0|1,0,2]=4 368 B13R1.28 O=CCCCCOc1ccccc1 1P004HKN [0,1,0,0,0,0|0,0,2]=3 369 B13R1.28 O=CCCCOCc1ccccc1 1P00DRD4 [0,1,0,0,0,0|0,0,2]=3 370 B13R1.28 OCCCCCCc1ccccc1 1P003NSG [0,1,0,0,0,0|0,0,0]=1 371 B13R1.28 OCCCCNCc1ccccc1 1P003L9J [0,1,0,0,0,0|0,0,0]=1 372 B13R1.28 OCCCCOCc1ccccc1 1P003L9Q [0,1,0,0,0,0|0,0,0]=1 373 B13R1.28 OCCCNCCc1ccccc1 1P01B122 [0,1,0,0,0,0|0,0,0]=1 374 B13R1.28 OCCCOCCc1ccccc1 1P019VN5 [0,1,0,0,0,0|0,0,0]=1 375 B13R1.28 OCCNCCOc1ccccn1 1P01BBN1 [0,1,0,0,0,0|2,0,0]=3 376 B13R1.28 OCCOCCOc1ccccc1 1P007Y5Q [0,1,0,0,0,0|1,0,0]=2 377 B13R1.28 OCCSCCCc1ccccc1 1P01AGNH [0,1,0,0,0,0|0,0,0]=1 378 B13R1.28 OC\C=C\COCc1ccccc1 1P003792 [0,1,0,0,0,0|0,0,2]=3 379 B13R1.28 OOCCC\C=C\c1ccccc1 1P004GMH [0,1,0,0,0,0|0,0,2]=3 380 B13R1.28 SCCOCCOc1ccccc1 1P028AKK [0,1,0,0,0,0|1,1,0]=3 381 B13R1.42 BrCCC(=O)OCc1ccccc1 1P006HPS [0,1,0,0,0,0|2,0,1]=4 382 B13R1.42 C=CCC(CCc1ccccc1)O 1P00EBLT [0,1,0,0,0,0|1,0,1]=3 383 B13R1.42 C=CCC(NCc1ccccc1)C 1P028ZH0 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.42 CCCC(=O)CCc1ccccc1 1P00I606 [0,1,0,0,0,0|1,0,1]=3 385 B13R1.42 CCCC(=O)OCc1ccccc1 1P003OKO [0,1,0,0,0,0|2,0,1]=4 386 B13R1.42 CCCC(C#Cc1ccccc1)O 1P0023J3 [0,1,0,0,0,0|1,0,2]=4 387 B13R1.42 CCCC(CCc1ccccc1)N 1P01AL95 [0,1,0,0,0,0|1,0,0]=2 388 B13R1.42 CCCC(NCc1ccccc1)C 1P00EEGN [0,1,0,0,0,0|2,0,0]=3 389 B13R1.42 CCCC(SCc1ccccc1)C 1P01FG0B [0,1,0,0,0,0|2,0,0]=3 390 B13R1.42 CCOC(=O)CCc1ccccc1 1P0028IZ [0,1,0,0,0,0|2,0,1]=4 391 B13R1.42 ClCCC(=O)NCc1ccccc1 1P00DBOU [0,1,0,0,0,0|2,0,1]=4 392 B13R1.42 ClCCC(OCc1ccccc1)C 1P00H53W [0,1,0,0,0,0|2,0,0]=3 393 B13R1.42 N#CCC(=O)CCc1ccccc1 1P01AKP7 [0,1,0,0,0,0|1,0,2]=4 394 B13R1.42 NCCC(=O)NCc1ccccc1 1P019278 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.42 NCCC(=O)OCc1ccccc1 1P003VWV [0,1,0,0,0,0|2,0,1]=4 396 B13R1.42 NCCC(=O)OCc1ccccc1 1P00IKS6 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.42 NCCN(CCc1ccccc1)C 1P001TZY [0,1,0,0,0,0|2,0,0]=3 398 B13R1.42 OCCC(=O)OCc1ccccc1 1P001KD7 [0,1,0,0,0,0|1,0,1]=3 399 B13R1.42 OCCC(CCc1ccccc1)C 1P00DEIU [0,1,0,0,0,0|0,0,0]=1 400 B13R1.42 OCCC(NCc1ccccc1)C 1P01A4R6 [0,1,0,0,0,0|1,0,0]=2 401 B13R1.42 OCCC(OCc1ccccc1)C 1P01B283 [0,1,0,0,0,0|1,0,0]=2 402 B13R1.44 C=CCCC(=O)Cc1ccccc1 1P01BURP [0,1,0,0,0,0|1,0,2]=4 403 B13R1.44 CC(Cc1ccccc1)NCC#C 1P002IEE [0,1,0,0,0,0|2,0,1]=4 404 B13R1.44 CC(Cc1ccccc1)NCC#C 1P019SIY [0,1,0,0,0,0|2,0,1]=4 405 B13R1.44 CCCCC(=O)Cc1ccccc1 1P003F36 [0,1,0,0,0,0|1,0,1]=3 406 B13R1.44 CCCCC(=O)Nc1ccccc1 1P0008HO [0,1,0,0,0,0|2,0,1]=4 407 B13R1.44 CCCCC(Cc1ccccn1)O 1P01AHXX [0,1,0,0,0,0|2,0,0]=3 408 B13R1.44 CN(Cc1ccccc1)CCC#C 1P028TBB [0,1,0,0,0,0|2,0,1]=4 409 B13R1.44 CNCCN(Cc1ccccc1)C 1P0006OR [0,1,0,0,0,0|3,0,0]=4 410 B13R1.44 ClCCCN(Cc1ccccc1)C 1P007JAU [0,1,0,0,0,0|2,0,0]=3 411 B13R1.44 NCCCC(=O)Nc1ccccc1 1P009MSM [0,1,0,0,0,0|2,0,1]=4 412 B13R1.44 NCCCN(Cc1ccccc1)C 1P001AQK [0,1,0,0,0,0|2,0,0]=3 413 B13R1.44 NCCNC(=O)Cc1ccccc1 1P01A8X1 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.44 NCCNC(=O)Cc1ccccc1 1P028K6U [0,1,0,0,0,0|2,0,1]=4 415 B13R1.44 OCCCC(Cc1ccccc1)N 1P00GBUB [0,1,0,0,0,0|0,0,0]=1 416 B13R1.44 OCCNC(=O)Oc1ccccc1 1P01AH7D [0,1,0,0,0,0|2,0,1]=4 417 B13R1.44 OCCNC(=S)Nc1ccccc1 1P009RBH [0,1,0,0,0,0|2,0,1]=4 418 B13R1.44 O[C@@H](Cc1ccccc1)CN=[N+]=[N-] 1P01BAA6 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.44 O[C@H](Cc1ccccc1)CN=[N+]=[N-] 1P01BBG5 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.337 CC(=O)CCCCc1ccccc1 1P001HE7 [0,1,0,0,0,0|0,0,2]=3 421 B13R1.337 CC(=O)CCNCc1ccccc1 1P00IDVP [0,1,0,0,0,0|1,0,2]=4 422 B13R1.337 CC(=O)CCOCc1ccccc1 1P003L9S [0,1,0,0,0,0|1,0,2]=4 423 B13R1.337 CC(=O)OCCCc1ccccc1 1P00170Q [0,1,0,0,0,0|1,0,2]=4 424 B13R1.337 CC(CCNCc1ccccc1)C 1P00E08O [0,1,0,0,0,0|2,0,0]=3 425 B13R1.337 CC(CCNCc1ccccc1)C 1P01S7X8 [0,1,0,0,0,0|2,0,0]=3 426 B13R1.337 CC(CCOCc1ccccc1)N 1P01BBSD [0,1,0,0,0,0|2,0,0]=3 427 B13R1.337 CC(CCOCc1ccccc1)O 1P00DOW1 [0,1,0,0,0,0|1,0,0]=2 428 B13R1.337 CC(CONCc1ccccc1)C 1P01C2F0 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.337 CC(NCCCc1ccccc1)C 1P00J24P [0,1,0,0,0,0|2,0,0]=3 430 B13R1.337 CC(NCCOc1ccccc1)C 1P00J24Q [0,1,0,0,0,0|3,0,0]=4 431 B13R1.337 CC(NCCSc1ccccc1)C 1P005QQ9 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.337 CN(CCNCc1ccccc1)C 1P003T8R [0,1,0,0,0,0|3,0,0]=4 433 B13R1.337 C[C@@H](CCOCc1ccccc1)N 1P0293R4 [0,1,0,0,0,0|2,0,0]=3 434 B13R1.337 C[C@@H](CCOCc1ccccc1)O 1P008PC2 [0,1,0,0,0,0|1,0,0]=2 435 B13R1.337 ClC(=O)CCOCc1ccccc1 1P00D6MI [0,1,0,0,0,0|1,0,2]=4 436 B13R1.337 ClC(=O)OCCCc1ccccc1 1P028B1G [0,1,0,0,0,0|1,0,2]=4 437 B13R1.337 FC(CNCCc1ccccc1)F 1P00JGHJ [0,1,0,0,0,0|2,0,0]=3 438 B13R1.337 NC(=N)CCCOc1ccccc1 1P019Y1A [0,1,0,0,0,0|2,0,1]=4 439 B13R1.337 NC(=O)CCNCc1ccccc1 1P001VL2 [0,1,0,0,0,0|1,0,2]=4 440 B13R1.337 NC(=O)NCCCc1ccccc1 1P01AAW5 [0,1,0,0,0,0|1,0,2]=4 441 B13R1.337 NC(=O)OCCCc1ccccc1 1P01E9L7 [0,1,0,0,0,0|1,0,2]=4 442 B13R1.337 NC(=S)NCCCc1ccccc1 1P00GVTG [0,1,0,0,0,0|1,1,1]=4 443 B13R1.337 OC(=O)C#CCCc1ccccc1 1P027TV1 [0,1,0,0,0,0|0,0,3]=4 444 B13R1.337 OC(=O)CC=CCc1ccccc1 1P0292AF [0,1,0,0,0,0|0,0,3]=4 445 B13R1.337 OC(=O)CCC#Cc1ccccc1 1P007FG8 [0,1,0,0,0,0|0,0,3]=4 446 B13R1.337 OC(=O)CCCCc1ccccc1 1P003NF4 [0,1,0,0,0,0|0,0,1]=2 447 B13R1.337 OC(=O)CCCCc1cccnc1 1P01DTQ6 [0,1,0,0,0,0|1,0,1]=3 448 B13R1.337 OC(=O)CCCCc1ccncc1 1P0048FK [0,1,0,0,0,0|1,0,1]=3 449 B13R1.337 OC(=O)CCCNc1ccccc1 1P0008Y2 [0,1,0,0,0,0|1,0,1]=3 450 B13R1.337 OC(=O)CCCOc1ccccc1 1P003MFH [0,1,0,0,0,0|1,0,1]=3 451 B13R1.337 OC(=O)CCCOc1cccnc1 1P019TFI [0,1,0,0,0,0|2,0,1]=4 452 B13R1.337 OC(=O)CCCSc1ccccc1 1P0025S7 [0,1,0,0,0,0|1,0,1]=3 453 B13R1.337 OC(=O)CCNCc1ccccc1 1P00D9Z4 [0,1,0,0,0,0|1,0,1]=3 454 B13R1.337 OC(=O)CCNCc1ccccc1 1P00J3Y1 [0,1,0,0,0,0|1,0,1]=3 455 B13R1.337 OC(=O)CCNCc1ccccn1 1P019VGL [0,1,0,0,0,0|2,0,1]=4 456 B13R1.337 OC(=O)CCNCc1cccnc1 1P00J1R5 [0,1,0,0,0,0|2,0,1]=4 457 B13R1.337 OC(=O)CCNCc1cccnc1 1P01AAEY [0,1,0,0,0,0|2,0,1]=4 458 B13R1.337 OC(=O)CCNCc1ccncc1 1P019VGQ [0,1,0,0,0,0|2,0,1]=4 459 B13R1.337 OC(=O)CCOCc1ccccc1 1P003AC3 [0,1,0,0,0,0|1,0,1]=3 460 B13R1.337 OC(=O)CCSCc1ccccc1 1P002VLI [0,1,0,0,0,0|1,0,1]=3 461 B13R1.337 OC(=O)CCSCc1ccccn1 1P019WFV [0,1,0,0,0,0|2,0,1]=4 462 B13R1.337 OC(=O)CC\C=C\c1ccccc1 1P0027BM [0,1,0,0,0,0|0,0,3]=4 463 B13R1.337 OC(=O)CNCCc1ccccc1 1P01AI5G [0,1,0,0,0,0|1,0,1]=3 464 B13R1.337 OC(=O)COCCc1ccccc1 1P008LA5 [0,1,0,0,0,0|1,0,1]=3 465 B13R1.337 OC(=O)CSCCc1ccccc1 1P019L1R [0,1,0,0,0,0|1,0,1]=3 466 B13R1.337 OC(=O)C\C=C\Cc1ccccc1 1P01B6SR [0,1,0,0,0,0|0,0,3]=4 467 B13R1.337 OC(=O)\C=C\CCc1ccccc1 1P00DTE7 [0,1,0,0,0,0|0,0,3]=4 468 B13R1.337 OC(=S)CCCOc1ccccc1 1P005LKD [0,1,0,0,0,0|1,0,1]=3 469 B13R1.555 BrCCCNCc1ccccc1C 1P01ACDB [0,1,0,0,0,0|2,0,0]=3 470 B13R1.555 CCCCCNc1ncccc1Br 1P01AJV2 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.555 CCCCCOc1ncccc1Br 1P01AJRO [0,1,0,0,0,0|3,0,0]=4 472 B13R1.555 CCCCCSc1ccccc1Cl 1P01FFS2 [0,1,0,0,0,0|2,0,0]=3 473 B13R1.555 CCCCNCc1ccccc1Br 1P00F4SL [0,1,0,0,0,0|2,0,0]=3 474 B13R1.555 CCCCNCc1ccccc1C 1P00J4EW [0,1,0,0,0,0|2,0,0]=3 475 B13R1.555 CCCCNCc1ccccc1Cl 1P00ADKP [0,1,0,0,0,0|2,0,0]=3 476 B13R1.555 CCCCNCc1ccccc1F 1P00J4I3 [0,1,0,0,0,0|2,0,0]=3 477 B13R1.555 CCCCNCc1ccccc1O 1P00IBHS [0,1,0,0,0,0|2,0,0]=3 478 B13R1.555 CCNCCOc1ccccc1Br 1P00GWDP [0,1,0,0,0,0|3,0,0]=4 479 B13R1.555 CCNCCOc1ccccc1C 1P01C2ZU [0,1,0,0,0,0|3,0,0]=4 480 B13R1.555 CCNCCOc1ccccc1Cl 1P006TVA [0,1,0,0,0,0|3,0,0]=4 481 B13R1.555 CCOCCOc1ccccc1N 1P009OA6 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.555 CNCCCOc1ccccc1Br 1P00J4BS [0,1,0,0,0,0|3,0,0]=4 483 B13R1.555 CNCCCOc1ccccc1C 1P00GT8A [0,1,0,0,0,0|3,0,0]=4 484 B13R1.555 CNCCCOc1ccccc1Cl 1P00468M [0,1,0,0,0,0|3,0,0]=4 485 B13R1.555 CNCCCOc1ccccc1F 1P0089PM [0,1,0,0,0,0|3,0,0]=4 486 B13R1.555 COCCCCc1cccnc1N 1P01BD2F [0,1,0,0,0,0|3,0,0]=4 487 B13R1.555 COCCCOc1ccccc1N 1P019X92 [0,1,0,0,0,0|3,0,0]=4 488 B13R1.555 COCCNCc1ccccc1C 1P00J4FA [0,1,0,0,0,0|3,0,0]=4 489 B13R1.555 COCCNCc1ccccc1Cl 1P00J1KM [0,1,0,0,0,0|3,0,0]=4 490 B13R1.555 N#CCCCOc1ccccc1Br 1P019VAR [0,1,0,0,0,0|2,0,1]=4 491 B13R1.555 NCCCCSc1ccccc1Br 1P01AJ7I [0,1,0,0,0,0|2,0,0]=3 492 B13R1.555 NCCCCSc1ccccc1Br 1P01AJXO [0,1,0,0,0,0|2,0,0]=3 493 B13R1.555 NCCCSCc1ccccc1C 1P0084BS [0,1,0,0,0,0|2,0,0]=3 494 B13R1.555 NCCCSCc1ccccc1Cl 1P007DJU [0,1,0,0,0,0|2,0,0]=3 495 B13R1.555 NCCCSCc1ccccc1F 1P008VRW [0,1,0,0,0,0|2,0,0]=3 496 B13R1.555 OCCCNCc1ccccc1C 1P005FUR [0,1,0,0,0,0|1,0,0]=2 497 B13R1.555 OCCCNCc1ccccc1Cl 1P00FBIO [0,1,0,0,0,0|1,0,0]=2 498 B13R1.718 BrCC(=O)NCCc1ccccc1 1P00EBP1 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.718 BrCC(COCc1ccccc1)C 1P00H2K4 [0,1,0,0,0,0|2,0,0]=3 500 B13R1.718 BrCC(COCc1ccccc1)O 1P001FYX [0,1,0,0,0,0|2,0,0]=3 501 B13R1.718 CC(C#N)COCc1ccccc1 1P01GK6N [0,1,0,0,0,0|2,0,1]=4 502 B13R1.718 CCC(=O)COCc1ccccc1 1P01EV3V [0,1,0,0,0,0|2,0,1]=4 503 B13R1.718 CCC(=O)OCCc1ccccc1 1P00170R [0,1,0,0,0,0|2,0,1]=4 504 B13R1.718 CCC(CNCc1ccccc1)O 1P01A1ZZ [0,1,0,0,0,0|2,0,0]=3 505 B13R1.718 CNC(=O)CCCc1ccccc1 1P01BI8C [0,1,0,0,0,0|2,0,1]=4 506 B13R1.718 COC(=O)CCCc1ccccc1 1P002A2C [0,1,0,0,0,0|2,0,1]=4 507 B13R1.718 ClCC(=O)CCCc1ccccc1 1P01CAQE [0,1,0,0,0,0|1,0,1]=3 508 B13R1.718 ClCC(=O)NCCc1ccccc1 1P000ZW1 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.718 ClCC(=O)OCCc1ccccc1 1P005U5R [0,1,0,0,0,0|2,0,1]=4 510 B13R1.718 FC[C@H](COCc1ccccc1)O 1P0282GG [0,1,0,0,0,0|2,0,0]=3 511 B13R1.718 NCC(=C)COCc1ccccc1 1P028BV1 [0,1,0,0,0,0|2,0,1]=4 512 B13R1.718 NCC(=O)NCCc1ccccc1 1P01A8BG [0,1,0,0,0,0|2,0,1]=4 513 B13R1.718 NCC(CCCc1ccccc1)O 1P01B2ZS [0,1,0,0,0,0|1,0,0]=2 514 B13R1.718 NCC(COCc1ccccc1)C 1P019XFL [0,1,0,0,0,0|2,0,0]=3 515 B13R1.718 NCC(COCc1ccccc1)C 1P01A7YT [0,1,0,0,0,0|2,0,0]=3 516 B13R1.718 NCC(COCc1ccccc1)O 1P003JFF [0,1,0,0,0,0|2,0,0]=3 517 B13R1.718 NC[C@H](COCc1ccccc1)O 1P01IGJP [0,1,0,0,0,0|2,0,0]=3 518 B13R1.718 NNC(=O)CCCc1ccccc1 1P00D4H5 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.718 OCC(CNCc1ccccc1)C 1P00J4EU [0,1,0,0,0,0|1,0,0]=2 520 B13R1.718 OCC(COCc1ccccc1)C 1P00H6F1 [0,1,0,0,0,0|1,0,0]=2 521 B13R1.718 OCC(COCc1ccccc1)N 1P00863Z [0,1,0,0,0,0|1,0,0]=2 522 B13R1.718 OCC(COCc1ccccc1)N 1P027WN2 [0,1,0,0,0,0|1,0,0]=2 523 B13R1.718 OCC(COCc1ccccc1)O 1P000VB0 [0,1,0,0,0,0|1,0,0]=2 524 B13R1.718 OCC(OCCc1ccccc1)C 1P01AUZG [0,1,0,0,0,0|1,0,0]=2 525 B13R1.718 OC[C@@H](COCc1ccccc1)N 1P003CU6 [0,1,0,0,0,0|1,0,0]=2 526 B13R1.718 OC[C@@H](COCc1ccccc1)N 1P00ECGC [0,1,0,0,0,0|1,0,0]=2 527 B13R1.718 OC[C@@H](COCc1ccccc1)O 1P003CUK [0,1,0,0,0,0|1,0,0]=2 528 B13R1.718 OC[C@H](COCc1ccccc1)N 1P003CPJ [0,1,0,0,0,0|1,0,0]=2 529 B13R1.718 OC[C@H](COCc1ccccc1)N 1P00IAVF [0,1,0,0,0,0|1,0,0]=2 530 B13R1.718 OC[C@H](COCc1ccccc1)O 1P003F1I [0,1,0,0,0,0|1,0,0]=2 531 B13R1.718 OC[C@H](CSCc1ccccc1)N 1P003UO4 [0,1,0,0,0,0|1,0,0]=2 532 B13R1.718 ON=C(CCCc1ccccc1)N 1P01A8EY [0,1,0,0,0,0|1,0,1]=3 533 B13R1.718 ONC(=O)CCCc1ccccc1 1P007HTK [0,1,0,0,0,0|1,0,1]=3 534 B13R1.718 ONC(=O)CCOc1ccccc1 1P019XAU [0,1,0,0,0,0|2,0,1]=4 535 B11R0.3 CCCCCCC=CC=CC=O 1P000ZZM [0,0,1,0,0,0|2,0,0]=3 536 B11R0.3 CCCCCCC=CC=CCO 1P003GCE [0,0,1,0,0,0|2,0,1]=4 537 B11R0.3 CCCCCC\C=C\C=C\C=O 1P0030BQ [0,0,1,0,0,0|2,0,0]=3 538 B13R2.1 BrCCN1CCc2c1cccc2 1P01ALSC [0,0,0,1,0,0|2,0,0]=3 539 B13R2.1 C#CCN1CCc2c1cccc2 1P028E2Y [0,0,0,1,0,0|2,0,1]=4 540 B13R2.1 CCNC1CCc2c1cccc2 1P019XIZ [0,0,0,1,0,0|2,0,0]=3 541 B13R2.1 CNCC1CCc2c1cccc2 1P01B7E7 [0,0,0,1,0,0|2,0,0]=3 542 B13R2.1 CNCC1OCc2c1cccc2 1P002LQF [0,0,0,1,0,0|3,0,0]=4 543 B13R2.1 CNCC1OCc2c1cccc2 1P0287NS [0,0,0,1,0,0|3,0,0]=4 544 B13R2.1 COCC1NCc2c1cccc2 1P028YQ8 [0,0,0,1,0,0|3,0,0]=4 545 B13R2.1 N#CCN1CCc2c1cccc2 1P00DKC1 [0,0,0,1,0,0|2,0,1]=4 546 B13R2.1 NCCC1=CCc2c1cccc2 1P019TOE [0,0,0,1,0,0|1,0,2]=4 547 B13R2.1 NCCC1CCc2c1cccc2 1P01ANRV [0,0,0,1,0,0|1,0,0]=2 548 B13R2.1 NCCC1CCc2c1cccc2 1P027WSH [0,0,0,1,0,0|1,0,0]=2 549 B13R2.1 NCCC1CCc2c1nccc2 1P0290VK [0,0,0,1,0,0|2,0,0]=3 550 B13R2.1 NCCC1CNc2c1cccc2 1P00812E [0,0,0,1,0,0|2,0,0]=3 551 B13R2.1 NCCN1CCc2c1cccc2 1P00D8KB [0,0,0,1,0,0|2,0,0]=3 552 B13R2.1 NCCN1CCc2c1cccc2 1P00J1HM [0,0,0,1,0,0|2,0,0]=3 553 B13R2.1 OCCC1CCc2c1cccc2 1P00C5S0 [0,0,0,1,0,0|0,0,0]=1 554 B13R2.1 OCCC1CNc2c1cccc2 1P01I211 [0,0,0,1,0,0|1,0,0]=2 555 B13R2.1 OCCC1NCc2c1cccc2 1P0289HK [0,0,0,1,0,0|1,0,0]=2 556 B13R2.1 OCCN1CCc2c1cccc2 1P00J9R6 [0,0,0,1,0,0|1,0,0]=2 557 B13R2.1 OCCc1c[nH]c2c1cccc2 1P00I9VG [0,0,0,1,0,0|1,0,2]=4 558 B13R2.1 OCCc1coc2c1cccc2 1P005WW4 [0,0,0,1,0,0|1,0,2]=4 559 B13R2.1 OCCc1noc2c1cccc2 1P00ECF6 [0,0,0,1,0,0|2,0,1]=4 560 B13R2.1 OCCc1nsc2c1cccc2 1P01C71A [0,0,0,1,0,0|2,0,1]=4 561 B13R2.1 OCCn1ccc2c1cccc2 1P0015GK [0,0,0,1,0,0|1,0,2]=4 562 B13R2.1 OCCn1cnc2c1cccc2 1P00EEH8 [0,0,0,1,0,0|2,0,1]=4 563 B13R2.1 OCCn1ncc2c1cccc2 1P01AK9V [0,0,0,1,0,0|2,0,1]=4 564 B13R2.1 OCCn1nnc2c1cccc2 1P006D0Z [0,0,0,1,0,0|3,0,0]=4 565 B13R2.3 C1=CCC(CC1)c2ccccc2 1P003MFT [0,0,0,1,0,0|1,0,2]=4 566 B13R2.3 C1CCC(=CC1)c2ccccc2 1P0033AK [0,0,0,1,0,0|1,0,1]=3 567 B13R2.3 C1CCC(=CC1)c2ccccn2 1P001H3R [0,0,0,1,0,0|2,0,1]=4 568 B13R2.3 C1CCC(CC1)c2ccccc2 1P00354D [0,0,0,1,0,0|1,0,0]=2 569 B13R2.3 C1CCC(CC1)c2ccncc2 1P01BCOH [0,0,0,1,0,0|2,0,0]=3 570 B13R2.3 C1CCC(CN1)c2ccccc2 1P0077WQ [0,0,0,1,0,0|2,0,0]=3 571 B13R2.3 C1CCC(CN1)c2ccccc2 1P00APMM [0,0,0,1,0,0|2,0,0]=3 572 B13R2.3 C1CCC(CN1)c2ccccn2 1P0074KB [0,0,0,1,0,0|3,0,0]=4 573 B13R2.3 C1CCC(CN1)c2ccccn2 1P01AM5C [0,0,0,1,0,0|3,0,0]=4 574 B13R2.3 C1CCC(CN1)c2cccnc2 1P002FDR [0,0,0,1,0,0|3,0,0]=4 575 B13R2.3 C1CCC(CN1)c2cccnc2 1P00BXDH [0,0,0,1,0,0|3,0,0]=4 576 B13R2.3 C1CCC(CN1)c2ccncc2 1P01C4NY [0,0,0,1,0,0|3,0,0]=4 577 B13R2.3 C1CCC(NC1)c2ccccc2 1P003ICF [0,0,0,1,0,0|1,0,0]=2 578 B13R2.3 C1CCC(NC1)c2ccccc2 1P01ACBD [0,0,0,1,0,0|1,0,0]=2 579 B13R2.3 C1CCC(NC1)c2ccccn2 1P001J2Y [0,0,0,1,0,0|2,0,0]=3 580 B13R2.3 C1CCC(NC1)c2cccnc2 1P0033XS [0,0,0,1,0,0|2,0,0]=3 581 B13R2.3 C1CCC(NC1)c2cccnc2 1P0177O4 [0,0,0,1,0,0|2,0,0]=3 582 B13R2.3 C1CCC(NC1)c2ccncc2 1P001J2U [0,0,0,1,0,0|2,0,0]=3 583 B13R2.3 C1CCC(NC1)c2ccncc2 1P021VJT [0,0,0,1,0,0|2,0,0]=3 584 B13R2.3 C1CCN(CC1)c2ccccc2 1P00747M [0,0,0,1,0,0|2,0,0]=3 585 B13R2.3 C1CCN(CC1)c2ccccn2 1P005PEL [0,0,0,1,0,0|3,0,0]=4 586 B13R2.3 C1CCN(CC1)c2cccnc2 1P006U3D [0,0,0,1,0,0|3,0,0]=4 587 B13R2.3 C1CCN(CC1)c2ccncc2 1P002UUH [0,0,0,1,0,0|3,0,0]=4 588 B13R2.3 C1CC[C@@H](CN1)c2ccccc2 1P00D9LO [0,0,0,1,0,0|2,0,0]=3 589 B13R2.3 C1CC[C@@H](CN1)c2ccccc2 1P00DK7G [0,0,0,1,0,0|2,0,0]=3 590 B13R2.3 C1CC[C@@H](NC1)c2ccccc2 1P00EDF4 [0,0,0,1,0,0|1,0,0]=2 591 B13R2.3 C1CC[C@@H](NC1)c2ccccc2 1P020M4G [0,0,0,1,0,0|1,0,0]=2 592 B13R2.3 C1CC[C@@H](NC1)c2ccccn2 1P008W9N [0,0,0,1,0,0|2,0,0]=3 593 B13R2.3 C1CC[C@@H](NC1)c2ccccn2 1P024G19 [0,0,0,1,0,0|2,0,0]=3 594 B13R2.3 C1CC[C@H](CN1)c2ccccc2 1P00EB70 [0,0,0,1,0,0|2,0,0]=3 595 B13R2.3 C1CC[C@H](NC1)c2ccccc2 1P001O2Q [0,0,0,1,0,0|1,0,0]=2 596 B13R2.3 C1CC[C@H](NC1)c2ccccc2 1P00FCUH [0,0,0,1,0,0|1,0,0]=2 597 B13R2.3 C1CC[C@H](NC1)c2ccccn2 1P024G1R [0,0,0,1,0,0|2,0,0]=3 598 B13R2.3 C1CC[C@H](NC1)c2cccnc2 1P0032XO [0,0,0,1,0,0|2,0,0]=3 599 B13R2.3 C1CC[C@H](NC1)c2cccnc2 1P01D9L6 [0,0,0,1,0,0|2,0,0]=3 600 B13R2.3 C1CNC(CN1)c2cccnc2 1P00827Z [0,0,0,1,0,0|3,0,0]=4 601 B13R2.3 C1CNC(CN1)c2cccnc2 1P009A0Q [0,0,0,1,0,0|3,0,0]=4 602 B13R2.3 C1CNC(CN1)c2cccnc2 1P028XTI [0,0,0,1,0,0|3,0,0]=4 603 B13R2.3 C1COB(OC1)c2ccccc2 1P003IBF [0,0,0,1,0,0|2,0,0]=3 604 B13R2.3 C1COB(OC1)c2cccnc2 1P000ZUA [0,0,0,1,0,0|3,0,0]=4 605 B13R2.3 C1COC(CN1)c2ccccn2 1P000692 [0,0,0,1,0,0|2,0,0]=3 606 B13R2.3 C1COC(CN1)c2ccccn2 1P021VH2 [0,0,0,1,0,0|2,0,0]=3 607 B13R2.3 C1COC(CN1)c2cccnc2 1P021VH1 [0,0,0,1,0,0|2,0,0]=3 608 B13R2.3 C1CSC(SC1)c2ccccc2 1P003IBI [0,0,0,1,0,0|1,1,0]=3 609 B13R2.3 N1CCC(=CC1)c2ccccc2 1P003MFP [0,0,0,1,0,0|2,0,1]=4 610 B13R2.3 N1CCC(=CC1)c2ccccc2 1P00867Q [0,0,0,1,0,0|2,0,1]=4 611 B13R2.3 N1CCC(CC1)c2ccccc2 1P0008OF [0,0,0,1,0,0|2,0,0]=3 612 B13R2.3 N1CCC(CC1)c2ccccc2 1P003MG5 [0,0,0,1,0,0|2,0,0]=3 613 B13R2.3 N1CCC(CC1)c2ccccn2 1P001J2X [0,0,0,1,0,0|3,0,0]=4 614 B13R2.3 N1CCC(CC1)c2ccccn2 1P00I4O4 [0,0,0,1,0,0|3,0,0]=4 615 B13R2.3 N1CCC(CC1)c2cccnc2 1P001W7A [0,0,0,1,0,0|3,0,0]=4 616 B13R2.3 N1CCC(CC1)c2cccnc2 1P00FHC4 [0,0,0,1,0,0|3,0,0]=4 617 B13R2.3 N1CCC(CC1)c2cccnc2 1P01FZHU [0,0,0,1,0,0|3,0,0]=4 618 B13R2.3 N1CCC(CC1)c2ccncc2 1P00EAG4 [0,0,0,1,0,0|3,0,0]=4 619 B13R2.3 N1CCC(CC1)c2ccncc2 1P00J1JK [0,0,0,1,0,0|3,0,0]=4 620 B13R2.3 N1CCC(CC1)c2ccncc2 1P01X010 [0,0,0,1,0,0|3,0,0]=4 621 B13R2.3 N1CCC=C(C1)c2ccccc2 1P01BA7X [0,0,0,1,0,0|2,0,1]=4 622 B13R2.3 N1CCN(CC1)c2ccccc2 1P0033AM [0,0,0,1,0,0|3,0,0]=4 623 B13R2.3 N1CCN(CC1)c2ccccc2 1P003F3F [0,0,0,1,0,0|3,0,0]=4 624 B13R2.3 N1CCN(CC1)c2ccccc2 1P003F3G [0,0,0,1,0,0|3,0,0]=4 625 B13R2.3 N1CCNC(C1)c2ccccc2 1P003ICE [0,0,0,1,0,0|2,0,0]=3 626 B13R2.3 N1CCNC(C1)c2ccccc2 1P00GSPM [0,0,0,1,0,0|2,0,0]=3 627 B13R2.3 N1CCNC(C1)c2ccncc2 1P00HCNE [0,0,0,1,0,0|3,0,0]=4 628 B13R2.3 N1CCOC(C1)c2ccccc2 1P00C2J0 [0,0,0,1,0,0|1,0,0]=2 629 B13R2.3 N1CCOC(C1)c2ccncc2 1P000691 [0,0,0,1,0,0|2,0,0]=3 630 B13R2.3 N1CCOC(C1)c2ccncc2 1P01KZIV [0,0,0,1,0,0|2,0,0]=3 631 B13R2.3 N1CCO[C@@H](C1)c2ccccc2 1P0017W2 [0,0,0,1,0,0|1,0,0]=2 632 B13R2.3 N1CCO[C@@H](C1)c2ccccc2 1P00BDGD [0,0,0,1,0,0|1,0,0]=2 633 B13R2.3 N1CCO[C@H](C1)c2ccccc2 1P005WLK [0,0,0,1,0,0|1,0,0]=2 634 B13R2.3 N1CCSC(C1)c2ccccc2 1P005R8C [0,0,0,1,0,0|1,1,0]=3 635 B13R2.3 N1CCSC(C1)c2ccccc2 1P00GH1C [0,0,0,1,0,0|1,1,0]=3 636 B13R2.3 O1CCC(=CC1)c2ccccc2 1P00CZR6 [0,0,0,1,0,0|2,0,1]=4 637 B13R2.3 O1CCC(CC1)c2ccccn2 1P01EV3W [0,0,0,1,0,0|3,0,0]=4 638 B13R2.3 O1CCC(CC1)c2ccncc2 1P01FEZ5 [0,0,0,1,0,0|3,0,0]=4 639 B13R2.3 O1CCC(NC1)c2ccccc2 1P01EIIJ [0,0,0,1,0,0|2,0,0]=3 640 B13R2.3 O1CCC(OC1)c2ccccc2 1P003MFR [0,0,0,1,0,0|1,0,0]=2 641 B13R2.3 O1CCN(CC1)c2ccccc2 1P003MG2 [0,0,0,1,0,0|3,0,0]=4 642 B13R2.3 O1CCNC(C1)c2ccccc2 1P0019JE [0,0,0,1,0,0|2,0,0]=3 643 B13R2.3 O1CCNC(C1)c2ccccc2 1P0096NQ [0,0,0,1,0,0|2,0,0]=3 644 B13R2.3 O1CCN[C@@H](C1)c2ccccc2 1P001TLN [0,0,0,1,0,0|2,0,0]=3 645 B13R2.3 O1CCN[C@@H](C1)c2ccccc2 1P005JTV [0,0,0,1,0,0|2,0,0]=3 646 B13R2.3 O1CCN[C@H](C1)c2ccccc2 1P006BFW [0,0,0,1,0,0|2,0,0]=3 647 B13R2.3 O1CCN[C@H](C1)c2ccccc2 1P00ABFC [0,0,0,1,0,0|2,0,0]=3 648 B13R2.3 S1CCNC(C1)c2ccccc2 1P009BJG [0,0,0,1,0,0|2,0,0]=3 649 B13R2.3 S1CCNC(C1)c2ccccc2 1P028IZA [0,0,0,1,0,0|2,0,0]=3 650 B13R2.3 c1ccc(cc1)C2=NCCCC2 1P01IKQP [0,0,0,1,0,0|1,0,1]=3 651 B13R2.3 c1ccc(cc1)C2=NCCCN2 1P002QWZ [0,0,0,1,0,0|2,0,1]=4 652 B13R2.15 CC1CCNC1c2ccccc2 1P00DKMF [0,0,0,1,0,0|2,0,0]=3 653 B13R2.15 CC1NCCC1c2ccccc2 1P019Z72 [0,0,0,1,0,0|2,0,0]=3 654 B13R2.15 CN1CCCC1c2cccnc2 1P00BCUZ [0,0,0,1,0,0|3,0,0]=4 655 B13R2.15 CN1CCC[C@@H]1c2cccnc2 1P002R6P [0,0,0,1,0,0|3,0,0]=4 656 B13R2.15 CN1CCC[C@H]1c2cccnc2 1P002SVQ [0,0,0,1,0,0|3,0,0]=4 657 B13R2.15 CN1CCC[C@H]1c2cccnc2 1P00EBYG [0,0,0,1,0,0|3,0,0]=4 658 B13R2.15 CN1CCC[C@H]1c2cccnc2 1P018QAW [0,0,0,1,0,0|3,0,0]=4 659 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 1P0290HM [0,0,0,1,0,0|2,0,0]=3 660 B13R2.15 N=C1NCCC1c2ccccc2 1P028RW1 [0,0,0,1,0,0|2,0,1]=4 661 B13R2.15 NC1CCCC1c2ccccc2 1P00DIJB [0,0,0,1,0,0|1,0,0]=2 662 B13R2.15 NC1CCCC1c2ccccc2 1P00FHC3 [0,0,0,1,0,0|1,0,0]=2 663 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 1P01C0RM [0,0,0,1,0,0|1,0,0]=2 664 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 1P01BZ2R [0,0,0,1,0,0|2,0,0]=3 665 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 1P028DIT [0,0,0,1,0,0|2,0,0]=3 666 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P00748U [0,0,0,1,0,0|1,0,0]=2 667 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P028LSU [0,0,0,1,0,0|1,0,0]=2 668 B13R2.15 O=C1CCCC1c2ccccc2 1P009RKK [0,0,0,1,0,0|0,0,2]=3 669 B13R2.15 O=C1CCCC1c2ccccn2 1P002XF6 [0,0,0,1,0,0|1,0,2]=4 670 B13R2.15 O=C1CCCC1c2cccnc2 1P01BHCB [0,0,0,1,0,0|1,0,2]=4 671 B13R2.15 O=C1CCCN1c2ccccc2 1P003F2R [0,0,0,1,0,0|1,0,2]=4 672 B13R2.15 O=C1CCNC1c2ccccc2 1P01EKCL [0,0,0,1,0,0|1,0,2]=4 673 B13R2.15 O=C1COCC1c2ccccc2 1P01B7OI [0,0,0,1,0,0|1,0,2]=4 674 B13R2.15 O=C1NCCC1c2ccccc2 1P0064IE [0,0,0,1,0,0|1,0,2]=4 675 B13R2.15 O=C1OCCC1c2ccccc2 1P00FR8Y [0,0,0,1,0,0|1,0,2]=4 676 B13R2.15 OC1CCCC1c2ccccc2 1P01AIU1 [0,0,0,1,0,0|0,0,0]=1 677 B13R2.15 OC1COCC1c2ccccc2 1P01DL7W [0,0,0,1,0,0|1,0,0]=2 678 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccn2 1P01AM0E [0,0,0,1,0,0|1,0,0]=2 679 B13R2.15 O[C@@H]1CCN[C@@H]1c2ccccc2 1P028ROY [0,0,0,1,0,0|1,0,0]=2 680 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 1P027SDW [0,0,0,1,0,0|1,0,0]=2 681 B13R2.15 O[C@@H]1COC[C@@H]1c2ccccc2 1P027UDY [0,0,0,1,0,0|1,0,0]=2 682 B13R2.15 O[C@@H]1COC[C@H]1c2ccccc2 1P0289P9 [0,0,0,1,0,0|1,0,0]=2 683 B13R2.15 O[C@H]1CCC[C@@H]1c2ccccc2 1P028OP4 [0,0,0,1,0,0|0,0,0]=1 684 B13R2.15 O[C@H]1CNC[C@@H]1c2ccccc2 1P000M5F [0,0,0,1,0,0|1,0,0]=2 685 B13R2.25 C=CC[C@@H]1C[C@H]1c2ccccc2 1P01B778 [0,0,0,1,0,0|1,0,1]=3 686 B13R2.25 O=C=NC1CC1c2ccccc2 1P01AK28 [0,0,0,1,0,0|1,0,2]=4 687 B13R2.27 NC1COC1Cc2ccccc2 1P02874Z [0,0,0,1,0,0|2,0,0]=3 688 B13R2.27 N[C@@H]1CC[C@@H]1Cc2ccccc2 1P028EH2 [0,0,0,1,0,0|1,0,0]=2 689 B13R2.27 O=C1CCC1Cc2ccccc2 1P028O13 [0,0,0,1,0,0|0,0,2]=3 690 B13R2.27 O=C1COC1Cc2ccccc2 1P028O94 [0,0,0,1,0,0|1,0,2]=4 691 B13R2.50 BrCC1CN1Cc2ccccc2 1P01C2NB [0,0,0,1,0,0|2,0,0]=3 692 B13R2.50 OCC1CC1Cc2ccccc2 1P01CAOY [0,0,0,1,0,0|0,0,0]=1 693 B13R2.56 NCC1CCC1c2ccccc2 1P028KYT [0,0,0,1,0,0|1,0,0]=2 694 B13R2.56 OCC1CCC1c2ccccc2 1P028HTF [0,0,0,1,0,0|0,0,0]=1 695 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 1P0293CC [0,0,0,1,0,0|1,0,0]=2 696 B13R2.64 C1CCC(C1)Nc2ccccc2 1P019F2H [0,0,0,1,0,0|2,0,0]=3 697 B13R2.64 C1CCC(C1)Nc2ccccn2 1P01A1E8 [0,0,0,1,0,0|3,0,0]=4 698 B13R2.64 C1CCC(C1)Oc2ccccc2 1P00C8RL [0,0,0,1,0,0|2,0,0]=3 699 B13R2.64 C1CCN(C1)Cc2ccccc2 1P00BC5Z [0,0,0,1,0,0|2,0,0]=3 700 B13R2.64 C1CC[S+](C1)Cc2ccccc2 1P004LYV [0,0,0,1,0,0|2,0,0]=3 701 B13R2.64 C1CNC(C1)Cc2ccccc2 1P007ET1 [0,0,0,1,0,0|1,0,0]=2 702 B13R2.64 C1CNC(C1)Cc2ccccn2 1P020LGP [0,0,0,1,0,0|2,0,0]=3 703 B13R2.64 C1CNC(C1)Cc2ccncc2 1P01FKRX [0,0,0,1,0,0|2,0,0]=3 704 B13R2.64 C1CN[C@@H](C1)Cc2ccccc2 1P006C8O [0,0,0,1,0,0|1,0,0]=2 705 B13R2.64 C1CN[C@@H](C1)Cc2ccccc2 1P00HXPD [0,0,0,1,0,0|1,0,0]=2 706 B13R2.64 C1CN[C@H](C1)Cc2ccccc2 1P00JO4B [0,0,0,1,0,0|1,0,0]=2 707 B13R2.64 C1COC(O1)Cc2ccccc2 1P0003VX [0,0,0,1,0,0|1,0,0]=2 708 B13R2.64 C1NCC(C1)Cc2ccccc2 1P00APV9 [0,0,0,1,0,0|2,0,0]=3 709 B13R2.64 C1NCC(C1)Cc2ccccc2 1P01FMEC [0,0,0,1,0,0|2,0,0]=3 710 B13R2.64 C1NCC(C1)Cc2ccccn2 1P000ZZ6 [0,0,0,1,0,0|3,0,0]=4 711 B13R2.64 C1NCC(C1)Cc2cccnc2 1P01AUJP [0,0,0,1,0,0|3,0,0]=4 712 B13R2.64 C1NCC(C1)Nc2ccccc2 1P0025SC [0,0,0,1,0,0|3,0,0]=4 713 B13R2.64 C1NCC(C1)Oc2ccccc2 1P003KBU [0,0,0,1,0,0|3,0,0]=4 714 B13R2.64 C1NCC(C1)Oc2ccccc2 1P00J7JO [0,0,0,1,0,0|3,0,0]=4 715 B13R2.64 C1NC[C@@H](C1)Oc2ccccc2 1P009BTI [0,0,0,1,0,0|3,0,0]=4 716 B13R2.64 C1NC[C@@H](C1)Oc2ccccc2 1P00GMNJ [0,0,0,1,0,0|3,0,0]=4 717 B13R2.64 C1NC[C@H](C1)Oc2ccccc2 1P00J3W3 [0,0,0,1,0,0|3,0,0]=4 718 B13R2.64 C1OCC(C1)Nc2ccccc2 1P00B9Z8 [0,0,0,1,0,0|3,0,0]=4 719 B13R2.64 C1SCC(C1)Nc2ccccc2 1P01AY2H [0,0,0,1,0,0|3,0,0]=4 720 B13R2.64 c1ccc(cc1)CC2=NCCN2 1P003H1N [0,0,0,1,0,0|2,0,1]=4 721 B13R2.64 c1ccc(cc1)CC2=NCCN2 1P00E97J [0,0,0,1,0,0|2,0,1]=4 722 B13R2.64 c1ccc(cc1)CN2COCC2 1P0012K4 [0,0,0,1,0,0|3,0,0]=4 723 B13R2.64 c1ccc(nc1)CC2=NCCO2 1P024HQF [0,0,0,1,0,0|2,0,1]=4 724 B13R2.67 C1CCNc2c(CC1)cccc2 1P019SFP [0,0,0,1,0,0|1,0,0]=2 725 B13R2.67 C1CCNc2c(CC1)cccc2 1P019SLP [0,0,0,1,0,0|1,0,0]=2 726 B13R2.67 C1CCNc2c(CN1)cccc2 1P00HU97 [0,0,0,1,0,0|2,0,0]=3 727 B13R2.67 C1NCCc2c(CC1)cccc2 1P01C1SH [0,0,0,1,0,0|2,0,0]=3 728 B13R2.1613 BrCC1CCCc2c1cccc2 1P01AHCH [0,0,0,1,0,0|1,0,0]=2 729 B13R2.1613 BrCC1OCCc2c1cccc2 1P01AIR4 [0,0,0,1,0,0|2,0,0]=3 730 B13R2.1613 CCC1=NCCc2c1cccc2 1P01FPDQ [0,0,0,1,0,0|2,0,1]=4 731 B13R2.1613 CCC1CCNc2c1cccc2 1P01DWPJ [0,0,0,1,0,0|2,0,0]=3 732 B13R2.1613 CCC1CNCc2c1cccc2 1P0283NQ [0,0,0,1,0,0|2,0,0]=3 733 B13R2.1613 CCC1NCCc2c1cccc2 1P00HANY [0,0,0,1,0,0|2,0,0]=3 734 B13R2.1613 CCN1CCNc2c1cccc2 1P005KRN [0,0,0,1,0,0|3,0,0]=4 735 B13R2.1613 CNC1CCCc2c1cccc2 1P007F85 [0,0,0,1,0,0|2,0,0]=3 736 B13R2.1613 CNC1CCCc2c1cccc2 1P00ELAW [0,0,0,1,0,0|2,0,0]=3 737 B13R2.1613 CNC1CCCc2c1nccc2 1P00H4FB [0,0,0,1,0,0|3,0,0]=4 738 B13R2.1613 CN[C@@H]1CCCc2c1cccc2 1P027V23 [0,0,0,1,0,0|2,0,0]=3 739 B13R2.1613 ClCC1=NCCc2c1cccc2 1P007BO9 [0,0,0,1,0,0|2,0,1]=4 740 B13R2.1613 ClCC1CCCc2c1cccc2 1P01BLLT [0,0,0,1,0,0|1,0,0]=2 741 B13R2.1613 N#CC1CCCc2c1cccc2 1P00E9KD [0,0,0,1,0,0|1,0,1]=3 742 B13R2.1613 N#CC1CCCc2c1nccc2 1P01C9S5 [0,0,0,1,0,0|2,0,1]=4 743 B13R2.1613 N#CC1CCOc2c1cccc2 1P01AHA0 [0,0,0,1,0,0|2,0,1]=4 744 B13R2.1613 N#CC1CCSc2c1cccc2 1P01B8BC [0,0,0,1,0,0|2,0,1]=4 745 B13R2.1613 N#CC1OCCc2c1cccc2 1P01A5B1 [0,0,0,1,0,0|2,0,1]=4 746 B13R2.1613 N#CC1SCCc2c1cccc2 1P00150I [0,0,0,1,0,0|2,0,1]=4 747 B13R2.1613 NCC1CCCc2c1cccc2 1P00G8P0 [0,0,0,1,0,0|1,0,0]=2 748 B13R2.1613 NCC1CCCc2c1cccc2 1P00GSN9 [0,0,0,1,0,0|1,0,0]=2 749 B13R2.1613 NCC1CCCc2c1cccn2 1P01EJYJ [0,0,0,1,0,0|2,0,0]=3 750 B13R2.1613 NCC1CCNc2c1cccc2 1P01APIY [0,0,0,1,0,0|2,0,0]=3 751 B13R2.1613 NCC1CCOc2c1cccc2 1P01AHAQ [0,0,0,1,0,0|2,0,0]=3 752 B13R2.1613 NCC1CCSc2c1cccc2 1P01BS2V [0,0,0,1,0,0|2,0,0]=3 753 B13R2.1613 NCC1CNCc2c1cccc2 1P01B7HV [0,0,0,1,0,0|2,0,0]=3 754 B13R2.1613 NCC1COCc2c1cccc2 1P028K5A [0,0,0,1,0,0|2,0,0]=3 755 B13R2.1613 NCC1OCCc2c1cccc2 1P00J3W8 [0,0,0,1,0,0|2,0,0]=3 756 B13R2.1613 NCC1SCCc2c1cccc2 1P019UHT [0,0,0,1,0,0|2,0,0]=3 757 B13R2.1613 NNC1CCCc2c1cccc2 1P028URO [0,0,0,1,0,0|2,0,0]=3 758 B13R2.1613 O=CC1CCCc2c1cccc2 1P0024L6 [0,0,0,1,0,0|0,0,2]=3 759 B13R2.1613 O=CC1CCOc2c1cccc2 1P019Z7O [0,0,0,1,0,0|1,0,2]=4 760 B13R2.1613 O=CC1COCc2c1cccc2 1P01FFYJ [0,0,0,1,0,0|1,0,2]=4 761 B13R2.1613 O=NN1CCCc2c1cccc2 1P01DIK3 [0,0,0,1,0,0|2,0,1]=4 762 B13R2.1613 OCC1CCCc2c1cccc2 1P01ABD5 [0,0,0,1,0,0|0,0,0]=1 763 B13R2.1613 OCC1CCCc2c1nccc2 1P01B8QM [0,0,0,1,0,0|1,0,0]=2 764 B13R2.1613 OCC1CCOc2c1cccc2 1P01ACJP [0,0,0,1,0,0|1,0,0]=2 765 B13R2.1613 OCC1CNCc2c1cccc2 1P028IK0 [0,0,0,1,0,0|1,0,0]=2 766 B13R2.1613 OCC1NCCc2c1cccc2 1P00ATKF [0,0,0,1,0,0|1,0,0]=2 767 B13R2.1613 OCC1NCCc2c1cccc2 1P0202BF [0,0,0,1,0,0|1,0,0]=2 768 B13R2.1613 OCC1OCCc2c1cccc2 1P00JAVG [0,0,0,1,0,0|1,0,0]=2 769 B13R2.1613 ON=C1CCOc2c1cccc2 1P002OYC [0,0,0,1,0,0|2,0,1]=4 770 B13R2.1613 ON=C1CCSc2c1cccc2 1P001QS2 [0,0,0,1,0,0|2,0,1]=4 771 B13R2.1613 O\N=C/1\CCCc2c1nccc2 1P00ECRZ [0,0,0,1,0,0|2,0,1]=4 772 B13R2.1613 O\N=C\1/CCCc2c1cccc2 1P00C033 [0,0,0,1,0,0|1,0,1]=3 773 B13R2.1613 O\N=C\1/CCOc2c1cccc2 1P019F9D [0,0,0,1,0,0|2,0,1]=4 774 B13R2.2382 C(Cc1ccccc1)NC2CC2 1P01C86C [0,0,0,1,0,0|2,0,0]=3 775 B13R2.2382 N(Cc1ccccc1)CC2CC2 1P000CTD [0,0,0,1,0,0|2,0,0]=3 776 B13R2.2382 N(Cc1ccncc1)CC2CC2 1P027TTR [0,0,0,1,0,0|3,0,0]=4 777 B13R2.2382 O(Cc1ccccc1)CC2OC2 1P002YH3 [0,0,0,1,0,0|1,0,0]=2 778 B13R2.2382 O(Cc1ccccc1)C[C@@H]2OC2 1P007YY1 [0,0,0,1,0,0|1,0,0]=2 779 B13R2.2382 O(Cc1ccccc1)C[C@H]2OC2 1P001VNF [0,0,0,1,0,0|1,0,0]=2 780 B13R2.2382 c1ccc(cn1)CNCC2CC2 1P027TTA [0,0,0,1,0,0|3,0,0]=4 781 B13R2.2382 c1ccc(nc1)CCNC2CC2 1P01AL24 [0,0,0,1,0,0|3,0,0]=4 782 B13R2.2382 c1ccc(nc1)CNCC2CC2 1P028A3G [0,0,0,1,0,0|3,0,0]=4 783 B13R2.2383 C1CC(C1)CNc2ccccc2 1P002FUU [0,0,0,1,0,0|2,0,0]=3 784 B13R2.2383 C1CC(C1)NCc2ccccc2 1P007J2Z [0,0,0,1,0,0|2,0,0]=3 785 B13R2.2383 C1CC(C1)NCc2ccccc2 1P008VMY [0,0,0,1,0,0|2,0,0]=3 786 B13R2.2383 C1CC(N1)CCc2ccccc2 1P01DVUW [0,0,0,1,0,0|1,0,0]=2 787 B13R2.2383 C1C[C@H](N1)COc2cccnc2 1P01E38P [0,0,0,1,0,0|3,0,0]=4 788 B13R2.2383 N1CC(C1)CCc2ccccc2 1P024NPF [0,0,0,1,0,0|2,0,0]=3 789 B13R2.2383 N1CC(C1)COc2ccccc2 1P01BBM1 [0,0,0,1,0,0|3,0,0]=4 790 B13R2.2383 N1CC(C1)OCc2ccccc2 1P00IG9M [0,0,0,1,0,0|3,0,0]=4 791 B13R2.2383 O1CC(C1)NCc2ccccc2 1P0005DO [0,0,0,1,0,0|3,0,0]=4 792 B13R2.2383 O1CC(C1)NCc2ccccc2 1P00IN4J [0,0,0,1,0,0|3,0,0]=4 793 B13R2.5252 BrC1CCCCc2c1cccc2 1P019TV7 [0,0,0,1,0,0|1,0,0]=2 794 B13R2.5252 C=C1CCCOc2c1cccc2 1P0029US [0,0,0,1,0,0|2,0,1]=4 795 B13R2.5252 CC1CCCNc2c1cccc2 1P01A7HU [0,0,0,1,0,0|2,0,0]=3 796 B13R2.5252 CC1CNCCc2c1cccc2 1P01C66M [0,0,0,1,0,0|2,0,0]=3 797 B13R2.5252 CC1NCCCc2c1cccn2 1P027ZD7 [0,0,0,1,0,0|3,0,0]=4 798 B13R2.5252 CC1NCCOc2c1cccc2 1P019WHW [0,0,0,1,0,0|3,0,0]=4 799 B13R2.5252 CC1NCCOc2c1cccc2 1P019WL5 [0,0,0,1,0,0|3,0,0]=4 800 B13R2.5252 CN1CCCNc2c1cccc2 1P00C9I1 [0,0,0,1,0,0|3,0,0]=4 801 B13R2.5252 CN1CCNCc2c1cccc2 1P00CNVR [0,0,0,1,0,0|3,0,0]=4 802 B13R2.5252 CN1CCNCc2c1cccc2 1P027VKD [0,0,0,1,0,0|3,0,0]=4 803 B13R2.5252 NC1CCCCc2c1cccc2 1P00278U [0,0,0,1,0,0|1,0,0]=2 804 B13R2.5252 NC1CCCCc2c1cccc2 1P008ZWL [0,0,0,1,0,0|1,0,0]=2 805 B13R2.5252 NC1CCCOc2c1cccc2 1P001LAF [0,0,0,1,0,0|2,0,0]=3 806 B13R2.5252 NC1CNCCc2c1cccc2 1P028NS2 [0,0,0,1,0,0|2,0,0]=3 807 B13R2.5252 O=C1CCCCc2c1cccc2 1P008KEV [0,0,0,1,0,0|0,0,2]=3 808 B13R2.5252 O=C1CCCNc2c1cccc2 1P003DQU [0,0,0,1,0,0|1,0,2]=4 809 B13R2.5252 O=C1CCCOc2c1cccc2 1P005POS [0,0,0,1,0,0|1,0,2]=4 810 B13R2.5252 O=C1CCCSc2c1cccc2 1P00BI6V [0,0,0,1,0,0|1,0,2]=4 811 B13R2.5252 O=C1CCNCc2c1cccc2 1P009D2A [0,0,0,1,0,0|1,0,2]=4 812 B13R2.5252 O=C1CSCCc2c1cccc2 1P006UV1 [0,0,0,1,0,0|1,0,2]=4 813 B13R2.5252 O=C1NCCCc2c1cccc2 1P00FBCB [0,0,0,1,0,0|1,0,2]=4 814 B13R2.5252 O=S1CCCNc2c1cccc2 1P019SU5 [0,0,0,1,0,0|2,0,1]=4 815 B13R2.5252 OB1OCCCc2c1cccc2 1P0281NS [0,0,0,1,0,0|2,0,0]=3 816 B13R2.5252 OC1CCCCc2c1cccc2 1P00CBCE [0,0,0,1,0,0|0,0,0]=1 817 B13R2.5252 OC1CCCOc2c1cccc2 1P0029UR [0,0,0,1,0,0|1,0,0]=2 818 B13R2.5252 OC1CCNCc2c1cccc2 1P01A5LW [0,0,0,1,0,0|1,0,0]=2 819 B13R2.5252 O[C@@H]1CCCOc2c1cccc2 1P01A2S4 [0,0,0,1,0,0|1,0,0]=2 820 B13R2.5252 O[C@@H]1CCCSc2c1cccc2 1P01A1G9 [0,0,0,1,0,0|1,0,0]=2 821 B13R2.5252 O[C@H]1CCCOc2c1cccc2 1P00G89H [0,0,0,1,0,0|1,0,0]=2 822 B13R2.5252 O[C@H]1CCCSc2c1cccc2 1P01A1GA [0,0,0,1,0,0|1,0,0]=2 823 B11R1.4 CCCCCCc1c[nH]nc1 1P005GDY [0,0,0,0,1,0|3,0,0]=4 824 B11R1.4 CCCCCCc1ccc[nH]1 1P003AZI [0,0,0,0,1,0|2,0,0]=3 825 B11R1.4 CCCCCCc1ccco1 1P0033SP [0,0,0,0,1,0|2,0,0]=3 826 B11R1.4 CCCCCCc1cccs1 1P002H16 [0,0,0,0,1,0|2,0,0]=3 827 B11R1.4 CCCCCCc1cscc1 1P003JZF [0,0,0,0,1,0|2,0,0]=3 828 B11R1.4 CCCCCCc1nccs1 1P01KL3T [0,0,0,0,1,0|3,0,0]=4 829 B11R1.4 CCCCCCn1cncc1 1P003EUR [0,0,0,0,1,0|3,0,0]=4 830 B11R1.4 CCCCNCc1ccco1 1P00J4GU [0,0,0,0,1,0|3,0,0]=4 831 B11R1.4 CCCCNCc1cscc1 1P00J4FI [0,0,0,0,1,0|3,0,0]=4 832 B11R1.4 CCCNCCc1cccs1 1P01ACR2 [0,0,0,0,1,0|3,0,0]=4 833 B11R1.4 ClCCCCCn1cccn1 1P01AAM1 [0,0,0,0,1,0|3,0,0]=4 834 B11R1.4 ClCCCCCn1cncc1 1P01AAIT [0,0,0,0,1,0|3,0,0]=4 835 B11R1.4 NCCCCCc1cccs1 1P028B5U [0,0,0,0,1,0|2,0,0]=3 836 B11R1.4 NCCSCCc1cscc1 1P027ZOR [0,0,0,0,1,0|3,0,0]=4 837 B11R1.4 OCCCNCc1ccco1 1P009Y6R [0,0,0,0,1,0|2,0,0]=3 838 B11R1.4 OCCCNCc1cccs1 1P00J4IB [0,0,0,0,1,0|2,0,0]=3 839 B11R1.4 OCCOCCn1cccn1 1P01AB0W [0,0,0,0,1,0|3,0,0]=4 840 B10R0.71 CCCCCC=CC=CC=O 1P002OF2 [1,0,1,0,0,0|1,0,0]=3 841 B10R0.71 CCCCC\C=C\C=C\C=O 1P002R4E [1,0,1,0,0,0|1,0,0]=3 842 B10R0.91 CCCCCC(=O)\C=C/C=O 1P008RUL [1,0,1,0,0,0|2,0,0]=4 843 B10R1.17 BrCCCc1ccccc1 1P003EL3 [2,0,0,0,0,0|1,0,0]=3 844 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [2,0,0,0,0,0|2,0,0]=4 845 B10R1.17 BrCCCc1ccncc1 1P01A6KW [2,0,0,0,0,0|2,0,0]=4 846 B10R1.17 BrCCOc1ccccc1 1P003IB5 [2,0,0,0,0,0|2,0,0]=4 847 B10R1.17 BrCCSc1ccccc1 1P003H8K [2,0,0,0,0,0|2,0,0]=4 848 B10R1.17 BrCOCc1ccccc1 1P0025GN [2,0,0,0,0,0|2,0,0]=4 849 B10R1.17 C=CCCc1ccccc1 1P003MFS [2,0,0,0,0,0|0,0,2]=4 850 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [2,0,0,0,0,0|0,0,2]=4 851 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [2,0,0,0,0,0|1,0,0]=3 852 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [2,0,0,0,0,0|1,0,0]=3 853 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [2,0,0,0,0,0|1,0,0]=3 854 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [2,0,0,0,0,0|1,0,0]=3 855 B10R1.17 CCCC[n+]1ccccc1 1P007726 [2,0,0,0,0,0|1,0,0]=3 856 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [2,0,0,0,0,0|1,0,0]=3 857 B10R1.17 CCCCc1ccccc1 1P003P2W [2,0,0,0,0,0|0,0,0]=2 858 B10R1.17 CCCCc1ccccn1 1P01FFM0 [2,0,0,0,0,0|1,0,0]=3 859 B10R1.17 CCCCc1cccnc1 1P00343V [2,0,0,0,0,0|1,0,0]=3 860 B10R1.17 CCCCc1ccncc1 1P00I9ZL [2,0,0,0,0,0|1,0,0]=3 861 B10R1.17 CCCNc1ccccc1 1P003TSL [2,0,0,0,0,0|1,0,0]=3 862 B10R1.17 CCCNc1cccnc1 1P019YSP [2,0,0,0,0,0|2,0,0]=4 863 B10R1.17 CCCOc1ccccc1 1P00E98Z [2,0,0,0,0,0|1,0,0]=3 864 B10R1.17 CCCSc1ccccn1 1P01EV41 [2,0,0,0,0,0|2,0,0]=4 865 B10R1.17 CCNCc1ccccc1 1P003TGS [2,0,0,0,0,0|1,0,0]=3 866 B10R1.17 CCNCc1ccccn1 1P003SQR [2,0,0,0,0,0|2,0,0]=4 867 B10R1.17 CCNCc1cccnc1 1P003TH6 [2,0,0,0,0,0|2,0,0]=4 868 B10R1.17 CCNCc1ccncc1 1P003KOX [2,0,0,0,0,0|2,0,0]=4 869 B10R1.17 CCSCc1ccccn1 1P007ETZ [2,0,0,0,0,0|2,0,0]=4 870 B10R1.17 CNCCc1ccccc1 1P003TP4 [2,0,0,0,0,0|1,0,0]=3 871 B10R1.17 CNCCc1ccccc1 1P00CJS7 [2,0,0,0,0,0|1,0,0]=3 872 B10R1.17 CNCCc1ccccn1 1P003OMV [2,0,0,0,0,0|2,0,0]=4 873 B10R1.17 CNCCc1ccccn1 1P003TMX [2,0,0,0,0,0|2,0,0]=4 874 B10R1.17 CNCCc1ccccn1 1P00IAF0 [2,0,0,0,0,0|2,0,0]=4 875 B10R1.17 CNCCc1cccnc1 1P00025V [2,0,0,0,0,0|2,0,0]=4 876 B10R1.17 CNCCc1cccnc1 1P0039D0 [2,0,0,0,0,0|2,0,0]=4 877 B10R1.17 CNCCc1ccncc1 1P0004J6 [2,0,0,0,0,0|2,0,0]=4 878 B10R1.17 CNCCc1ccncc1 1P00D8ZU [2,0,0,0,0,0|2,0,0]=4 879 B10R1.17 CNNCc1ccccc1 1P007YMP [2,0,0,0,0,0|2,0,0]=4 880 B10R1.17 CNNCc1ccccc1 1P01EKFO [2,0,0,0,0,0|2,0,0]=4 881 B10R1.17 CNOCc1ccccc1 1P005PAZ [2,0,0,0,0,0|2,0,0]=4 882 B10R1.17 CNOCc1ccccc1 1P01A29U [2,0,0,0,0,0|2,0,0]=4 883 B10R1.17 COCCc1ccccc1 1P003C4E [2,0,0,0,0,0|1,0,0]=3 884 B10R1.17 COCSc1ccccc1 1P0019FA [2,0,0,0,0,0|2,0,0]=4 885 B10R1.17 CONCc1ccccc1 1P006Y6C [2,0,0,0,0,0|2,0,0]=4 886 B10R1.17 CONCc1ccccc1 1P01A5XA [2,0,0,0,0,0|2,0,0]=4 887 B10R1.17 ClCCCc1ccccc1 1P003BI4 [2,0,0,0,0,0|1,0,0]=3 888 B10R1.17 ClCCCc1ccccn1 1P01A6KY [2,0,0,0,0,0|2,0,0]=4 889 B10R1.17 ClCCCc1cccnc1 1P002L24 [2,0,0,0,0,0|2,0,0]=4 890 B10R1.17 ClCCCc1ccncc1 1P00AKXB [2,0,0,0,0,0|2,0,0]=4 891 B10R1.17 ClCCNc1ccccc1 1P01DXCM [2,0,0,0,0,0|2,0,0]=4 892 B10R1.17 ClCCNc1ccccc1 1P0280C1 [2,0,0,0,0,0|2,0,0]=4 893 B10R1.17 ClCCOc1ccccc1 1P00IBGC [2,0,0,0,0,0|2,0,0]=4 894 B10R1.17 ClCCSc1ccccc1 1P003C3J [2,0,0,0,0,0|2,0,0]=4 895 B10R1.17 ClCOCc1ccccc1 1P0034YY [2,0,0,0,0,0|2,0,0]=4 896 B10R1.17 ClCSCc1ccccc1 1P003OKP [2,0,0,0,0,0|2,0,0]=4 897 B10R1.17 ICCCc1ccccc1 1P003EWA [2,0,0,0,0,0|1,0,0]=3 898 B10R1.17 ICCOc1ccccc1 1P00C6JI [2,0,0,0,0,0|2,0,0]=4 899 B10R1.17 N#CCCc1ccccc1 1P003KCJ [2,0,0,0,0,0|1,0,1]=4 900 B10R1.17 NCCCc1ccccc1 1P0029L7 [2,0,0,0,0,0|1,0,0]=3 901 B10R1.17 NCCCc1ccccn1 1P001OQL [2,0,0,0,0,0|2,0,0]=4 902 B10R1.17 NCCCc1ccccn1 1P01DW4S [2,0,0,0,0,0|2,0,0]=4 903 B10R1.17 NCCCc1cccnc1 1P003IJD [2,0,0,0,0,0|2,0,0]=4 904 B10R1.17 NCCCc1cccnc1 1P00G3KB [2,0,0,0,0,0|2,0,0]=4 905 B10R1.17 NCCCc1cccnc1 1P00GW1W [2,0,0,0,0,0|2,0,0]=4 906 B10R1.17 NCCCc1ccncc1 1P0030W7 [2,0,0,0,0,0|2,0,0]=4 907 B10R1.17 NCCNc1ccccc1 1P001X6L [2,0,0,0,0,0|2,0,0]=4 908 B10R1.17 NCCOc1ccccc1 1P0021OC [2,0,0,0,0,0|2,0,0]=4 909 B10R1.17 NCCOc1ccccc1 1P0027L1 [2,0,0,0,0,0|2,0,0]=4 910 B10R1.17 NCCSc1ccccc1 1P002DUS [2,0,0,0,0,0|2,0,0]=4 911 B10R1.17 NCCSc1ccccc1 1P00J3FE [2,0,0,0,0,0|2,0,0]=4 912 B10R1.17 NNCCc1ccccc1 1P001OVR [2,0,0,0,0,0|2,0,0]=4 913 B10R1.17 NNCCc1ccccc1 1P00B63Y [2,0,0,0,0,0|2,0,0]=4 914 B10R1.17 NNCCc1ccccc1 1P00DB0J [2,0,0,0,0,0|2,0,0]=4 915 B10R1.17 NNCCc1ccccc1 1P00I9LM [2,0,0,0,0,0|2,0,0]=4 916 B10R1.17 NOCCc1ccccc1 1P0071ZN [2,0,0,0,0,0|2,0,0]=4 917 B10R1.17 O=CCCc1ccccc1 1P003RFA [2,0,0,0,0,0|0,0,2]=4 918 B10R1.17 OCC#Cc1ccccc1 1P001N1G [2,0,0,0,0,0|0,0,2]=4 919 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [2,0,0,0,0,0|0,0,2]=4 920 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [2,0,0,0,0,0|0,0,2]=4 921 B10R1.17 OCCCc1ccccc1 1P00170B [2,0,0,0,0,0|0,0,0]=2 922 B10R1.17 OCCCc1ccccn1 1P002W8D [2,0,0,0,0,0|1,0,0]=3 923 B10R1.17 OCCCc1ccccn1 1P003II3 [2,0,0,0,0,0|1,0,0]=3 924 B10R1.17 OCCCc1cccnc1 1P002W8E [2,0,0,0,0,0|1,0,0]=3 925 B10R1.17 OCCCc1ccncc1 1P002T2T [2,0,0,0,0,0|1,0,0]=3 926 B10R1.17 OCCCc1ccncn1 1P007B3A [2,0,0,0,0,0|2,0,0]=4 927 B10R1.17 OCCNc1ccccc1 1P00170A [2,0,0,0,0,0|1,0,0]=3 928 B10R1.17 OCCNc1ccccn1 1P00GWAF [2,0,0,0,0,0|2,0,0]=4 929 B10R1.17 OCCNc1ccccn1 1P01F2SN [2,0,0,0,0,0|2,0,0]=4 930 B10R1.17 OCCNc1cccnc1 1P028RNR [2,0,0,0,0,0|2,0,0]=4 931 B10R1.17 OCCNc1ccncc1 1P002G57 [2,0,0,0,0,0|2,0,0]=4 932 B10R1.17 OCCOc1ccccc1 1P0033W0 [2,0,0,0,0,0|1,0,0]=3 933 B10R1.17 OCCOc1cccnc1 1P000QDL [2,0,0,0,0,0|2,0,0]=4 934 B10R1.17 OCCSc1ccccc1 1P003FKS [2,0,0,0,0,0|1,0,0]=3 935 B10R1.17 OCCSc1ccccn1 1P008PC7 [2,0,0,0,0,0|2,0,0]=4 936 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [2,0,0,0,0,0|0,0,2]=4 937 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [2,0,0,0,0,0|0,0,2]=4 938 B10R1.17 ONCCc1ccccc1 1P00CZ3B [2,0,0,0,0,0|1,0,0]=3 939 B10R1.17 SCCCc1ccccc1 1P002PQQ [2,0,0,0,0,0|0,1,0]=3 940 B10R1.17 SCCCc1ccncc1 1P00CEFN [2,0,0,0,0,0|1,1,0]=4 941 B10R1.17 SCCOc1ccccc1 1P0037FU [2,0,0,0,0,0|1,1,0]=4 942 B10R1.17 SCCSc1ccccc1 1P00ALQK [2,0,0,0,0,0|1,1,0]=4 943 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [2,0,0,0,0,0|1,0,1]=4 944 B12R0.5 CCCCCCC\C=C\C=C\C=O 1P003CHN [0,1,1,0,0,0|1,0,1]=4 945 B12R0.5 OCCCCCCC\C=C\C=C\C 1P007IRD [0,1,1,0,0,0|0,0,2]=4 946 B12R1.1 BrCCCCc1ccc(cc1)Br 1P0046QW [1,1,0,0,0,0|1,0,0]=3 947 B12R1.1 BrCCCCc1ccc(cc1)C 1P01JMNG [1,1,0,0,0,0|1,0,0]=3 948 B12R1.1 BrCCCCc1ccc(cc1)Cl 1P01DW6J [1,1,0,0,0,0|1,0,0]=3 949 B12R1.1 BrCCCCc1ccc(cc1)F 1P0040AL [1,1,0,0,0,0|1,0,0]=3 950 B12R1.1 BrCCCOc1ccc(cc1)Br 1P0057YZ [1,1,0,0,0,0|2,0,0]=4 951 B12R1.1 BrCCCOc1ccc(cc1)Cl 1P00BJF3 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.1 BrCCCOc1ccc(cc1)F 1P008S2R [1,1,0,0,0,0|2,0,0]=4 953 B12R1.1 BrCCOCc1ccc(cc1)Br 1P0095ZM [1,1,0,0,0,0|2,0,0]=4 954 B12R1.1 C=CCCCc1ccc(cc1)Br 1P01EMLH [1,1,0,0,0,0|0,0,2]=4 955 B12R1.1 CCCCCc1ccc(cc1)Br 1P003MF5 [1,1,0,0,0,0|0,0,0]=2 956 B12R1.1 CCCCCc1ccc(cc1)F 1P002W82 [1,1,0,0,0,0|0,0,0]=2 957 B12R1.1 CCCCCc1ccc(cc1)N 1P003MF2 [1,1,0,0,0,0|0,0,0]=2 958 B12R1.1 CCCCCc1ccc(cc1)O 1P001M3J [1,1,0,0,0,0|0,0,0]=2 959 B12R1.1 CCCCCc1ccc(nc1)C 1P01EW8X [1,1,0,0,0,0|1,0,0]=3 960 B12R1.1 CCCCOc1ccc(cc1)Br 1P00BZGP [1,1,0,0,0,0|1,0,0]=3 961 B12R1.1 CCCCOc1ccc(cc1)C 1P008V5I [1,1,0,0,0,0|1,0,0]=3 962 B12R1.1 CCCCOc1ccc(cc1)I 1P0066UW [1,1,0,0,0,0|1,0,0]=3 963 B12R1.1 CCCCOc1ccc(cc1)N 1P0034FJ [1,1,0,0,0,0|1,0,0]=3 964 B12R1.1 CCCCOc1ccc(cc1)O 1P00170E [1,1,0,0,0,0|1,0,0]=3 965 B12R1.1 CCCCOc1ccc(cn1)N 1P00DL4N [1,1,0,0,0,0|2,0,0]=4 966 B12R1.1 CCCCSc1ccc(nc1)N 1P027VOA [1,1,0,0,0,0|2,0,0]=4 967 B12R1.1 CCCNCc1ccc(cc1)C 1P00D4HD [1,1,0,0,0,0|1,0,0]=3 968 B12R1.1 CCCNCc1ccc(cc1)Cl 1P00DD65 [1,1,0,0,0,0|1,0,0]=3 969 B12R1.1 CCCNCc1ccc(cc1)Cl 1P00J23E [1,1,0,0,0,0|1,0,0]=3 970 B12R1.1 CCCNCc1ccc(cc1)F 1P003LWC [1,1,0,0,0,0|1,0,0]=3 971 B12R1.1 CCCNCc1ccc(cc1)F 1P00J4EA [1,1,0,0,0,0|1,0,0]=3 972 B12R1.1 CNCCCc1ccc(cc1)Br 1P01G05E [1,1,0,0,0,0|1,0,0]=3 973 B12R1.1 CNCCOc1ccc(cc1)Br 1P0039N1 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.1 CNCCOc1ccc(cc1)C 1P00EE8T [1,1,0,0,0,0|2,0,0]=4 975 B12R1.1 CNCCOc1ccc(cc1)C 1P00J1GG [1,1,0,0,0,0|2,0,0]=4 976 B12R1.1 CNCCOc1ccc(cc1)Cl 1P00FHAW [1,1,0,0,0,0|2,0,0]=4 977 B12R1.1 CNCCOc1ccc(cc1)F 1P00FBHK [1,1,0,0,0,0|2,0,0]=4 978 B12R1.1 CNCCOc1ccc(cc1)O 1P01AJC3 [1,1,0,0,0,0|2,0,0]=4 979 B12R1.1 CNCCSc1ccc(cc1)C 1P00J4KS [1,1,0,0,0,0|2,0,0]=4 980 B12R1.1 COCCNc1ccc(cc1)N 1P00FW7T [1,1,0,0,0,0|2,0,0]=4 981 B12R1.1 COCCOc1ccc(cc1)Br 1P003ALJ [1,1,0,0,0,0|2,0,0]=4 982 B12R1.1 COCCOc1ccc(cc1)F 1P01A66G [1,1,0,0,0,0|2,0,0]=4 983 B12R1.1 COCCOc1ccc(cc1)N 1P00BZOA [1,1,0,0,0,0|2,0,0]=4 984 B12R1.1 COCCOc1ccc(cc1)O 1P00DG0H [1,1,0,0,0,0|2,0,0]=4 985 B12R1.1 COCCOc1ccc(cc1)S 1P01AD2S [1,1,0,0,0,0|2,0,0]=4 986 B12R1.1 COCCSc1ccc(cc1)N 1P01AIEH [1,1,0,0,0,0|2,0,0]=4 987 B12R1.1 COCOCc1ccc(cc1)N 1P01AN97 [1,1,0,0,0,0|2,0,0]=4 988 B12R1.1 ClCCCCc1ccc(cc1)F 1P00DK3R [1,1,0,0,0,0|1,0,0]=3 989 B12R1.1 ClCCCOc1ccc(cc1)F 1P003DDI [1,1,0,0,0,0|2,0,0]=4 990 B12R1.1 FCCNCc1ccc(cc1)C 1P028VFG [1,1,0,0,0,0|2,0,0]=4 991 B12R1.1 ICCCCc1ccc(cc1)Br 1P01JMLM [1,1,0,0,0,0|1,0,0]=3 992 B12R1.1 ICCCCc1ccc(cc1)F 1P01JMMT [1,1,0,0,0,0|1,0,0]=3 993 B12R1.1 NCCCCc1ccc(cc1)Br 1P01JMFR [1,1,0,0,0,0|1,0,0]=3 994 B12R1.1 NCCCCc1ccc(cc1)Br 1P027XS3 [1,1,0,0,0,0|1,0,0]=3 995 B12R1.1 NCCCCc1ccc(cc1)Cl 1P00ER2D [1,1,0,0,0,0|1,0,0]=3 996 B12R1.1 NCCCCc1ccc(cc1)Cl 1P0289K9 [1,1,0,0,0,0|1,0,0]=3 997 B12R1.1 NCCCCc1ccc(cc1)F 1P001LTZ [1,1,0,0,0,0|1,0,0]=3 998 B12R1.1 NCCCCc1ccc(cc1)O 1P006ZWJ [1,1,0,0,0,0|1,0,0]=3 999 B12R1.1 NCCCCc1ccc(cc1)O 1P02010K [1,1,0,0,0,0|1,0,0]=3 1000 B12R1.1 NCCCNc1ccc(cc1)F 1P01A77X [1,1,0,0,0,0|2,0,0]=4 1001 B12R1.1 NCCCOc1ccc(cc1)C 1P00DCAU [1,1,0,0,0,0|2,0,0]=4 1002 B12R1.1 NCCCOc1ccc(cc1)F 1P000DNH [1,1,0,0,0,0|2,0,0]=4 1003 B12R1.1 NCCCSc1ccc(cc1)Cl 1P007GR0 [1,1,0,0,0,0|2,0,0]=4 1004 B12R1.1 NCCCSc1ccc(cc1)F 1P00HDIZ [1,1,0,0,0,0|2,0,0]=4 1005 B12R1.1 NCCCSc1ccc(cc1)F 1P019MIY [1,1,0,0,0,0|2,0,0]=4 1006 B12R1.1 NCCOCc1ccc(cc1)Cl 1P002WP0 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.1 NCCOCc1ccc(cc1)Cl 1P00J4GN [1,1,0,0,0,0|2,0,0]=4 1008 B12R1.1 NCCSCc1ccc(cc1)C 1P0083WS [1,1,0,0,0,0|2,0,0]=4 1009 B12R1.1 NCCSCc1ccc(cc1)Cl 1P00F4LM [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.1 NCCSCc1ccc(cc1)Cl 1P019NRM [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.1 NCCSCc1ccc(cc1)F 1P0091EU [1,1,0,0,0,0|2,0,0]=4 1012 B12R1.1 OCCCCc1ccc(cc1)Br 1P005HTC [1,1,0,0,0,0|0,0,0]=2 1013 B12R1.1 OCCCCc1ccc(cc1)F 1P00JSHV [1,1,0,0,0,0|0,0,0]=2 1014 B12R1.1 OCCCCc1ccc(cc1)N 1P006DSA [1,1,0,0,0,0|0,0,0]=2 1015 B12R1.1 OCCCCc1ccc(cc1)O 1P00GRT6 [1,1,0,0,0,0|0,0,0]=2 1016 B12R1.1 OCCCNc1ccc(cc1)Cl 1P01C2XK [1,1,0,0,0,0|1,0,0]=3 1017 B12R1.1 OCCCOc1ccc(cc1)Br 1P006302 [1,1,0,0,0,0|1,0,0]=3 1018 B12R1.1 OCCCOc1ccc(cc1)F 1P00HAT2 [1,1,0,0,0,0|1,0,0]=3 1019 B12R1.1 OCCCOc1ccc(cc1)N 1P01BAZZ [1,1,0,0,0,0|1,0,0]=3 1020 B12R1.1 OCCCOc1ccc(cn1)Br 1P01DWOR [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.1 OCCCSc1ccc(cc1)N 1P01ABM7 [1,1,0,0,0,0|1,0,0]=3 1022 B12R1.1 OCCNCc1ccc(cc1)Br 1P008NF2 [1,1,0,0,0,0|1,0,0]=3 1023 B12R1.1 OCCNCc1ccc(cc1)C 1P0075HK [1,1,0,0,0,0|1,0,0]=3 1024 B12R1.1 OCCNCc1ccc(cc1)Cl 1P00C9FX [1,1,0,0,0,0|1,0,0]=3 1025 B12R1.1 OCCNCc1ccc(cc1)Cl 1P01BDQU [1,1,0,0,0,0|1,0,0]=3 1026 B12R1.1 OCCNCc1ccc(cc1)F 1P0091ET [1,1,0,0,0,0|1,0,0]=3 1027 B12R1.1 OCCNCc1ccc(cc1)F 1P00BCRT [1,1,0,0,0,0|1,0,0]=3 1028 B12R1.1 OCCNCc1ccc(cc1)N 1P0024ZK [1,1,0,0,0,0|1,0,0]=3 1029 B12R1.1 OCCOCc1ccc(cc1)N 1P01C4AT [1,1,0,0,0,0|1,0,0]=3 1030 B12R1.1 OCCSCc1ccc(cc1)C 1P0043SC [1,1,0,0,0,0|1,0,0]=3 1031 B12R1.1 O\C=N\CCc1ccc(cc1)F 1P003LWG [1,1,0,0,0,0|1,0,1]=4 1032 B12R1.27 BrCC(=O)CCc1ccccc1 1P003ELT [1,1,0,0,0,0|1,0,1]=4 1033 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [1,1,0,0,0,0|0,0,1]=3 1035 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [1,1,0,0,0,0|1,0,1]=4 1036 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [1,1,0,0,0,0|0,0,0]=2 1037 B12R1.27 CCC(CCc1cccnc1)O 1P01BU2G [1,1,0,0,0,0|1,0,0]=3 1038 B12R1.27 CCC(CNc1ccccc1)N 1P01APH0 [1,1,0,0,0,0|1,0,0]=3 1039 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [1,1,0,0,0,0|1,0,0]=3 1040 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [1,1,0,0,0,0|1,0,0]=3 1041 B12R1.27 CCC(NCc1ccccc1)C 1P019OAH [1,1,0,0,0,0|1,0,0]=3 1042 B12R1.27 CCC(NCc1ccccn1)C 1P00J4EV [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.27 CCC(NCc1cccnc1)C 1P00J4IE [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.27 CCC(NCc1ccncc1)C 1P00J4G6 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [1,1,0,0,0,0|1,0,1]=4 1046 B12R1.27 CNC(CSc1ccccc1)C 1P01C3CH [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.27 CNC(CSc1ccccc1)C 1P01C5OD [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [1,1,0,0,0,0|1,0,1]=4 1049 B12R1.27 ClCC(=O)CCc1ccccc1 1P002K5O [1,1,0,0,0,0|1,0,1]=4 1050 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [1,1,0,0,0,0|2,0,0]=4 1051 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [1,1,0,0,0,0|1,0,1]=4 1052 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [1,1,0,0,0,0|2,0,0]=4 1053 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.27 NCC(SCc1ccccc1)C 1P01EILD [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.27 NC[C@@H](NCc1ccccc1)C 1P01BE91 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [1,1,0,0,0,0|0,0,2]=4 1058 B12R1.27 OCC(=O)NCc1ccccc1 1P00AL9D [1,1,0,0,0,0|1,0,1]=4 1059 B12R1.27 OCC(=O)OCc1ccccc1 1P0030DU [1,1,0,0,0,0|1,0,1]=4 1060 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [1,1,0,0,0,0|0,0,0]=2 1061 B12R1.27 OCC(CCc1ccncc1)N 1P01EMY7 [1,1,0,0,0,0|1,0,0]=3 1062 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [1,1,0,0,0,0|1,0,0]=3 1063 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [1,1,0,0,0,0|1,0,0]=3 1064 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [1,1,0,0,0,0|1,0,0]=3 1065 B12R1.27 OCC(NCc1ccccn1)C 1P01AZ6S [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [1,1,0,0,0,0|1,0,0]=3 1067 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [1,1,0,0,0,0|0,0,0]=2 1068 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [1,1,0,0,0,0|1,0,0]=3 1069 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [1,1,0,0,0,0|1,0,0]=3 1070 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [1,1,0,0,0,0|1,0,0]=3 1071 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [1,1,0,0,0,0|0,0,0]=2 1072 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [1,1,0,0,0,0|1,0,0]=3 1073 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [1,1,0,0,0,0|1,0,0]=3 1074 B12R1.27 ONC(=N)CCc1ccccc1 1P002DYI [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.28 BrCCCCc1cccc(c1)Br 1P01JMO8 [1,1,0,0,0,0|1,0,0]=3 1076 B12R1.28 BrCCCCc1cccc(c1)C 1P01JMO0 [1,1,0,0,0,0|1,0,0]=3 1077 B12R1.28 BrCCCCc1cccc(c1)Cl 1P01B7XZ [1,1,0,0,0,0|1,0,0]=3 1078 B12R1.28 BrCCCCc1cccc(c1)F 1P01JMLO [1,1,0,0,0,0|1,0,0]=3 1079 B12R1.28 BrCCCOc1cccc(c1)C 1P00IBKL [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.28 BrCCCOc1cccc(c1)Cl 1P00BYV4 [1,1,0,0,0,0|2,0,0]=4 1081 B12R1.28 BrCCCOc1cccc(c1)I 1P019XQ8 [1,1,0,0,0,0|2,0,0]=4 1082 B12R1.28 C#CCCCc1cccc(c1)Br 1P028P8N [1,1,0,0,0,0|0,0,2]=4 1083 B12R1.28 CCCCCc1cccc(=O)o1 1P002UMS [1,1,0,0,0,0|1,0,0]=3 1084 B12R1.28 CCCCCc1cccc(c1)F 1P002W83 [1,1,0,0,0,0|0,0,0]=2 1085 B12R1.28 CCCCCc1cccc(c1)O 1P002DAK [1,1,0,0,0,0|0,0,0]=2 1086 B12R1.28 CCCCCc1ccnc(c1)N 1P01EX3G [1,1,0,0,0,0|1,0,0]=3 1087 B12R1.28 CCCCNc1cccc(c1)I 1P01AHBW [1,1,0,0,0,0|1,0,0]=3 1088 B12R1.28 CCCCOc1cc(N)ccn1 1P00IEPP [1,1,0,0,0,0|2,0,0]=4 1089 B12R1.28 CCCCOc1cccc(c1)N 1P002MLL [1,1,0,0,0,0|1,0,0]=3 1090 B12R1.28 CCCCOc1cccc(c1)N 1P019X8H [1,1,0,0,0,0|1,0,0]=3 1091 B12R1.28 CCCCOc1cccc(c1)O 1P002EFR [1,1,0,0,0,0|1,0,0]=3 1092 B12R1.28 CCCCSc1cccc(c1)Br 1P00HYTO [1,1,0,0,0,0|1,0,0]=3 1093 B12R1.28 CCCNCc1cccc(c1)Br 1P00J4JG [1,1,0,0,0,0|1,0,0]=3 1094 B12R1.28 CCCNCc1cccc(c1)Cl 1P00C90B [1,1,0,0,0,0|1,0,0]=3 1095 B12R1.28 CCCNCc1cccc(c1)Cl 1P00J4HV [1,1,0,0,0,0|1,0,0]=3 1096 B12R1.28 CNCCCc1cccc(c1)Cl 1P01S7LU [1,1,0,0,0,0|1,0,0]=3 1097 B12R1.28 CNCCNc1cccc(c1)Cl 1P01E38R [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.28 CNCCOc1cccc(c1)Br 1P0002XX [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.28 CNCCOc1cccc(c1)C 1P0091BG [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.28 CNCCOc1cccc(c1)C 1P00BIY3 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.28 CNCCOc1cccc(c1)Cl 1P0007MR [1,1,0,0,0,0|2,0,0]=4 1102 B12R1.28 CNCCOc1cccc(c1)F 1P019VXF [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.28 COCCNc1cccc(c1)Cl 1P01C0KS [1,1,0,0,0,0|2,0,0]=4 1104 B12R1.28 COCCOc1cccc(c1)Br 1P00I4XQ [1,1,0,0,0,0|2,0,0]=4 1105 B12R1.28 COCCOc1cccc(c1)I 1P01JMNQ [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.28 COCCOc1cccc(c1)N 1P007W7H [1,1,0,0,0,0|2,0,0]=4 1107 B12R1.28 COCCOc1cccc(c1)N 1P00J1ID [1,1,0,0,0,0|2,0,0]=4 1108 B12R1.28 COCCOc1cccc(c1)O 1P00I569 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.28 NCCCCc1cccc(c1)Cl 1P01JMGB [1,1,0,0,0,0|1,0,0]=3 1110 B12R1.28 NCCCCc1cccc(c1)F 1P01JMFH [1,1,0,0,0,0|1,0,0]=3 1111 B12R1.28 NCCCCc1ccnc(c1)N 1P01EKI9 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.28 NCCCNc1cccc(c1)F 1P01A77U [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.28 NCCCOc1cccc(c1)C 1P00HB28 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.28 NCCCOc1cccc(c1)Cl 1P000DNJ [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.28 NCCCOc1cccc(c1)F 1P000DNK [1,1,0,0,0,0|2,0,0]=4 1116 B12R1.28 NCCCOc1cccc(c1)F 1P01EIN4 [1,1,0,0,0,0|2,0,0]=4 1117 B12R1.28 NCCOCc1cccc(c1)Cl 1P01A2WX [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.28 NCCSCc1cccc(c1)Cl 1P0083WT [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.28 OCCCCc1cccc(c1)Br 1P01A00E [1,1,0,0,0,0|0,0,0]=2 1120 B12R1.28 OCCCCc1cccc(c1)Cl 1P01B7CS [1,1,0,0,0,0|0,0,0]=2 1121 B12R1.28 OCCCOc1cccc(c1)Br 1P01AIZM [1,1,0,0,0,0|1,0,0]=3 1122 B12R1.28 OCCCOc1cccc(c1)F 1P00HT99 [1,1,0,0,0,0|1,0,0]=3 1123 B12R1.28 OCCCOc1cccc(c1)I 1P01A7GC [1,1,0,0,0,0|1,0,0]=3 1124 B12R1.28 OCCCOc1cccc(n1)Cl 1P01BDVA [1,1,0,0,0,0|2,0,0]=4 1125 B12R1.28 OCCNCc1cccc(c1)Br 1P01BE8Z [1,1,0,0,0,0|1,0,0]=3 1126 B12R1.28 OCCNCc1cccc(c1)C 1P01BE33 [1,1,0,0,0,0|1,0,0]=3 1127 B12R1.28 OCCNCc1cccc(c1)Cl 1P00F7Q2 [1,1,0,0,0,0|1,0,0]=3 1128 B12R1.28 OCCNCc1cccc(c1)Cl 1P01BE34 [1,1,0,0,0,0|1,0,0]=3 1129 B12R1.28 OCCNCc1cccc(c1)F 1P01BECN [1,1,0,0,0,0|1,0,0]=3 1130 B12R1.28 OCCNCc1cccc(c1)F 1P01BECO [1,1,0,0,0,0|1,0,0]=3 1131 B12R1.28 OCCNCc1cncc(c1)Br 1P01FIA0 [1,1,0,0,0,0|2,0,0]=4 1132 B12R1.28 OCCOCc1cccc(c1)F 1P01C5OJ [1,1,0,0,0,0|1,0,0]=3 1133 B12R1.28 OCCSCc1cccc(c1)C 1P00H6OI [1,1,0,0,0,0|1,0,0]=3 1134 B12R1.28 OCCSCc1cccc(c1)F 1P004UVL [1,1,0,0,0,0|1,0,0]=3 1135 B12R1.28 OCCSCc1ccnc(c1)N 1P00A3UL [1,1,0,0,0,0|2,0,0]=4 1136 B12R1.30 BrCCCN(c1ccccc1)C 1P01C4YC [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.30 C=CCCC(c1ccccc1)N 1P01A1ZO [1,1,0,0,0,0|0,0,2]=4 1138 B12R1.30 CCCCC(=O)c1ccccc1 1P0003LL [1,1,0,0,0,0|0,0,1]=3 1139 B12R1.30 CCCCC(=O)c1cccnc1 1P0079EW [1,1,0,0,0,0|1,0,1]=4 1140 B12R1.30 CCCCC(=O)c1ccncc1 1P00ARKV [1,1,0,0,0,0|1,0,1]=4 1141 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [1,1,0,0,0,0|0,0,0]=2 1142 B12R1.30 CCCCC(c1ccccn1)N 1P01AU0Z [1,1,0,0,0,0|1,0,0]=3 1143 B12R1.30 CCCCC(c1cccnc1)N 1P00C91K [1,1,0,0,0,0|1,0,0]=3 1144 B12R1.30 CCCCC(c1ccncc1)N 1P01ATDS [1,1,0,0,0,0|1,0,0]=3 1145 B12R1.30 CCCCC(c1ccncc1)N 1P01AUM5 [1,1,0,0,0,0|1,0,0]=3 1146 B12R1.30 CCCCC(c1ccncc1)N 1P01XCIU [1,1,0,0,0,0|1,0,0]=3 1147 B12R1.30 CCCCN(c1ccccc1)N 1P003F0M [1,1,0,0,0,0|1,0,0]=3 1148 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [1,1,0,0,0,0|0,0,0]=2 1149 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [1,1,0,0,0,0|0,0,0]=2 1150 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [1,1,0,0,0,0|0,0,0]=2 1151 B12R1.30 CCCNC(=O)c1ccccc1 1P007WVC [1,1,0,0,0,0|1,0,1]=4 1152 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [1,1,0,0,0,0|1,0,0]=3 1153 B12R1.30 CCCOC(=O)c1ccccc1 1P002MUW [1,1,0,0,0,0|1,0,1]=4 1154 B12R1.30 CCNCC(c1ccccc1)N 1P01A2CQ [1,1,0,0,0,0|1,0,0]=3 1155 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [1,1,0,0,0,0|1,0,0]=3 1156 B12R1.30 CCSCC(=O)c1ccccc1 1P0008NQ [1,1,0,0,0,0|1,0,1]=4 1157 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [1,1,0,0,0,0|1,0,1]=4 1158 B12R1.30 CNCCC(c1ccccc1)O 1P00346T [1,1,0,0,0,0|1,0,0]=3 1159 B12R1.30 CNCCN(c1ccccc1)C 1P01AH3S [1,1,0,0,0,0|2,0,0]=4 1160 B12R1.30 CNCCN(c1ccccc1)C 1P028RXS [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.30 CNCC[C@@H](c1ccccc1)O 1P000B3I [1,1,0,0,0,0|1,0,0]=3 1162 B12R1.30 CNCC[C@H](c1ccccc1)O 1P000H17 [1,1,0,0,0,0|1,0,0]=3 1163 B12R1.30 COCCC(=O)c1ccccc1 1P01A2HK [1,1,0,0,0,0|1,0,1]=4 1164 B12R1.30 COCCC(c1ccccc1)Cl 1P00DQG1 [1,1,0,0,0,0|1,0,0]=3 1165 B12R1.30 COCCC(c1ccccc1)O 1P01A2S9 [1,1,0,0,0,0|1,0,0]=3 1166 B12R1.30 COCC[C@H](c1ccccc1)N 1P028QNB [1,1,0,0,0,0|1,0,0]=3 1167 B12R1.30 ClCCCC(=O)c1ccccc1 1P0034GQ [1,1,0,0,0,0|1,0,1]=4 1168 B12R1.30 NC(c1ccccc1)CCC#C 1P01DWCL [1,1,0,0,0,0|0,0,2]=4 1169 B12R1.30 NC(c1ccccc1)CCC#N 1P01A295 [1,1,0,0,0,0|1,0,1]=4 1170 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [1,1,0,0,0,0|1,0,0]=3 1171 B12R1.30 NCCCC(c1ccccc1)N 1P027XAJ [1,1,0,0,0,0|1,0,0]=3 1172 B12R1.30 NCCCN(c1ccccc1)C 1P003SRA [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.30 OC(c1ccccc1)CCC#C 1P01DZO5 [1,1,0,0,0,0|0,0,2]=4 1174 B12R1.30 OCCCC(=O)c1ccccc1 1P0077WH [1,1,0,0,0,0|0,0,1]=3 1175 B12R1.30 OCCCC(=O)c1cccnc1 1P00EFC0 [1,1,0,0,0,0|1,0,1]=4 1176 B12R1.30 OCCCC(c1ccccc1)N 1P00CNE3 [1,1,0,0,0,0|0,0,0]=2 1177 B12R1.30 OCCCC(c1ccccc1)O 1P01I7XA [1,1,0,0,0,0|0,0,0]=2 1178 B12R1.30 OCCCC(c1cccnc1)N 1P0282FM [1,1,0,0,0,0|1,0,0]=3 1179 B12R1.30 OCCCN(c1ccccc1)C 1P00BYVQ [1,1,0,0,0,0|1,0,0]=3 1180 B12R1.30 OCCC[C@@H](c1ccccc1)N 1P002326 [1,1,0,0,0,0|0,0,0]=2 1181 B12R1.30 OCCNC(=O)c1ccccc1 1P002HBP [1,1,0,0,0,0|1,0,1]=4 1182 B12R1.30 OCCN[C@@H](c1ccccc1)C 1P0059K4 [1,1,0,0,0,0|1,0,0]=3 1183 B12R1.30 OCCN[C@H](c1ccccc1)C 1P00IC3Y [1,1,0,0,0,0|1,0,0]=3 1184 B12R1.30 OCCOC(=O)c1ccccc1 1P00GXUZ [1,1,0,0,0,0|1,0,1]=4 1185 B12R1.32 BrCCN(Cc1ccccc1)C 1P01BERH [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [1,1,0,0,0,0|0,0,2]=4 1187 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [1,1,0,0,0,0|0,0,2]=4 1188 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [1,1,0,0,0,0|0,0,1]=3 1189 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [1,1,0,0,0,0|0,0,0]=2 1190 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [1,1,0,0,0,0|1,0,0]=3 1191 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [1,1,0,0,0,0|1,0,1]=4 1192 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [1,1,0,0,0,0|1,0,0]=3 1193 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [1,1,0,0,0,0|1,0,0]=3 1194 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [1,1,0,0,0,0|1,0,0]=3 1195 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [1,1,0,0,0,0|1,0,1]=4 1196 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [1,1,0,0,0,0|1,0,0]=3 1197 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [1,1,0,0,0,0|1,0,0]=3 1198 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [1,1,0,0,0,0|1,0,0]=3 1199 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [1,1,0,0,0,0|1,0,0]=3 1200 B12R1.32 ClCCN(Cc1ccccc1)C 1P002NY3 [1,1,0,0,0,0|2,0,0]=4 1201 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [1,1,0,0,0,0|0,0,2]=4 1202 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [1,1,0,0,0,0|1,0,0]=3 1203 B12R1.32 NCCN(Cc1ccccc1)C 1P0039QI [1,1,0,0,0,0|2,0,0]=4 1204 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [1,1,0,0,0,0|0,0,0]=2 1206 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [1,1,0,0,0,0|1,0,0]=3 1207 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [1,1,0,0,0,0|1,0,1]=4 1208 B12R1.32 SCCN(Cc1ccccc1)C 1P01BGFN [1,1,0,0,0,0|1,1,0]=4 1209 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [1,1,0,0,0,0|1,0,1]=4 1210 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [1,1,0,0,0,0|1,0,1]=4 1211 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [1,1,0,0,0,0|1,0,1]=4 1212 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [1,1,0,0,0,0|0,0,1]=3 1213 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [1,1,0,0,0,0|1,0,1]=4 1214 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [1,1,0,0,0,0|1,0,1]=4 1215 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [1,1,0,0,0,0|1,0,1]=4 1216 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [1,1,0,0,0,0|1,0,1]=4 1217 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [1,1,0,0,0,0|1,0,1]=4 1218 B12R1.252 CC(CCCc1cccnc1)N 1P01C2VH [1,1,0,0,0,0|1,0,0]=3 1219 B12R1.252 CC(CCCc1cccnc1)O 1P00993S [1,1,0,0,0,0|1,0,0]=3 1220 B12R1.252 CC(CCCc1ccncc1)C 1P006ZMZ [1,1,0,0,0,0|1,0,0]=3 1221 B12R1.252 CC(CCCc1ccncc1)O 1P01FFWJ [1,1,0,0,0,0|1,0,0]=3 1222 B12R1.252 CC(CCOc1ccccc1)Br 1P028JQH [1,1,0,0,0,0|1,0,0]=3 1223 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [1,1,0,0,0,0|1,0,0]=3 1224 B12R1.252 CC(CCOc1ccccc1)N 1P0293LA [1,1,0,0,0,0|1,0,0]=3 1225 B12R1.252 CC(CCSc1ccccc1)Br 1P019TVW [1,1,0,0,0,0|1,0,0]=3 1226 B12R1.252 CC(CNCc1ccccc1)C 1P00C68I [1,1,0,0,0,0|1,0,0]=3 1227 B12R1.252 CC(CNCc1ccccc1)C 1P00J1WC [1,1,0,0,0,0|1,0,0]=3 1228 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [1,1,0,0,0,0|1,0,0]=3 1229 B12R1.252 CC(CNCc1ccccn1)C 1P00427Z [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.252 CC(CNCc1cccnc1)C 1P00J3Z1 [1,1,0,0,0,0|2,0,0]=4 1231 B12R1.252 CC(CNCc1ccncc1)C 1P00J4FX [1,1,0,0,0,0|2,0,0]=4 1232 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [1,1,0,0,0,0|1,0,0]=3 1233 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [1,1,0,0,0,0|1,0,0]=3 1234 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [1,1,0,0,0,0|1,0,0]=3 1235 B12R1.252 CC(CSCc1ccccc1)N 1P01EIPM [1,1,0,0,0,0|1,0,0]=3 1236 B12R1.252 CC(NCCc1ccccc1)C 1P00CKHN [1,1,0,0,0,0|1,0,0]=3 1237 B12R1.252 CC(NCCc1ccccc1)C 1P00DBBY [1,1,0,0,0,0|1,0,0]=3 1238 B12R1.252 CC(OCCc1ccccn1)C 1P005H4T [1,1,0,0,0,0|2,0,0]=4 1239 B12R1.252 CN(CCCc1ccccc1)C 1P007R8A [1,1,0,0,0,0|1,0,0]=3 1240 B12R1.252 CN(CCNc1ccccc1)C 1P00FVF1 [1,1,0,0,0,0|2,0,0]=4 1241 B12R1.252 CN(CCOc1ccccc1)C 1P0080C8 [1,1,0,0,0,0|2,0,0]=4 1242 B12R1.252 C[C@@H](CCOc1ccccc1)N 1P0293Q3 [1,1,0,0,0,0|1,0,0]=3 1243 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [1,1,0,0,0,0|1,0,0]=3 1244 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [1,1,0,0,0,0|1,0,0]=3 1245 B12R1.252 C[C@H](CCOc1ccccc1)N 1P027TZ6 [1,1,0,0,0,0|1,0,0]=3 1246 B12R1.252 C[C@H](CNCc1ccncc1)O 1P028A6Y [1,1,0,0,0,0|2,0,0]=4 1247 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [1,1,0,0,0,0|1,0,0]=3 1248 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [1,1,0,0,0,0|1,0,0]=3 1249 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [1,1,0,0,0,0|0,0,2]=4 1250 B12R1.252 Cl[SiH](CCCc1ccccc1)Cl 1P008NVF [1,1,0,0,0,0|1,1,0]=4 1251 B12R1.252 FC(CNCc1ccccc1)F 1P00JGHM [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [1,1,0,0,0,0|1,0,1]=4 1253 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [1,1,0,0,0,0|0,1,1]=4 1254 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [1,1,0,0,0,0|0,0,1]=3 1255 B12R1.252 OC(=O)CCCc1ccccn1 1P0034AM [1,1,0,0,0,0|1,0,1]=4 1256 B12R1.252 OC(=O)CCCc1ccccn1 1P01ABGB [1,1,0,0,0,0|1,0,1]=4 1257 B12R1.252 OC(=O)CCCc1cccnc1 1P01BF81 [1,1,0,0,0,0|1,0,1]=4 1258 B12R1.252 OC(=O)CCCc1cccnc1 1P01BFAM [1,1,0,0,0,0|1,0,1]=4 1259 B12R1.252 OC(=O)CCCc1ccncc1 1P005FSI [1,1,0,0,0,0|1,0,1]=4 1260 B12R1.252 OC(=O)CCCc1ccncc1 1P008SS0 [1,1,0,0,0,0|1,0,1]=4 1261 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [1,1,0,0,0,0|1,0,1]=4 1262 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [1,1,0,0,0,0|1,0,1]=4 1263 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [1,1,0,0,0,0|1,0,1]=4 1264 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [1,1,0,0,0,0|1,0,1]=4 1265 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [1,1,0,0,0,0|1,0,1]=4 1266 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [1,1,0,0,0,0|1,0,1]=4 1267 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [1,1,0,0,0,0|1,0,1]=4 1268 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [1,1,0,0,0,0|0,0,2]=4 1269 B12R1.267 BrCCCCc1ccccc1Br 1P01JMNF [1,1,0,0,0,0|1,0,0]=3 1270 B12R1.267 BrCCCCc1ccccc1C 1P01JMMS [1,1,0,0,0,0|1,0,0]=3 1271 B12R1.267 BrCCCCc1ccccc1Cl 1P01JMNT [1,1,0,0,0,0|1,0,0]=3 1272 B12R1.267 BrCCCCc1ccccc1F 1P01JMNZ [1,1,0,0,0,0|1,0,0]=3 1273 B12R1.267 BrCCCOc1ccccc1Br 1P003DD7 [1,1,0,0,0,0|2,0,0]=4 1274 B12R1.267 BrCCCOc1ccccc1C 1P00D8EF [1,1,0,0,0,0|2,0,0]=4 1275 B12R1.267 BrCCCOc1ccccc1F 1P00APJ0 [1,1,0,0,0,0|2,0,0]=4 1276 B12R1.267 C=CCCCc1ccccc1Br 1P01BZ3C [1,1,0,0,0,0|0,0,2]=4 1277 B12R1.267 CCCCOc1ccccc1Br 1P00E4TB [1,1,0,0,0,0|1,0,0]=3 1278 B12R1.267 CCCCOc1ccccc1N 1P00D9SI [1,1,0,0,0,0|1,0,0]=3 1279 B12R1.267 CCCCOc1ncccc1Cl 1P00H9RH [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.267 CCCNCc1ccccc1Br 1P00GLYA [1,1,0,0,0,0|1,0,0]=3 1281 B12R1.267 CCCNCc1ccccc1C 1P00J4G8 [1,1,0,0,0,0|1,0,0]=3 1282 B12R1.267 CCCNCc1ccccc1Cl 1P00J25B [1,1,0,0,0,0|1,0,0]=3 1283 B12R1.267 CCCNCc1ccccc1F 1P00J4DW [1,1,0,0,0,0|1,0,0]=3 1284 B12R1.267 CCCNCc1ccccc1O 1P004TFT [1,1,0,0,0,0|1,0,0]=3 1285 B12R1.267 CCOCOc1ccccc1Br 1P01BDOI [1,1,0,0,0,0|2,0,0]=4 1286 B12R1.267 CNCCCc1ccccc1Cl 1P01QTAS [1,1,0,0,0,0|1,0,0]=3 1287 B12R1.267 CNCCOc1ccccc1C 1P019PN7 [1,1,0,0,0,0|2,0,0]=4 1288 B12R1.267 CNCCOc1ccccc1Cl 1P005KTZ [1,1,0,0,0,0|2,0,0]=4 1289 B12R1.267 CNCCOc1ccccc1F 1P00GX47 [1,1,0,0,0,0|2,0,0]=4 1290 B12R1.267 COCCNc1ccccc1N 1P00F0JH [1,1,0,0,0,0|2,0,0]=4 1291 B12R1.267 COCCOc1ccccc1Br 1P0082WS [1,1,0,0,0,0|2,0,0]=4 1292 B12R1.267 COCCOc1ccccc1N 1P005PHA [1,1,0,0,0,0|2,0,0]=4 1293 B12R1.267 COCCOc1ccccc1N 1P00J3FT [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.267 COCCOc1ccccc1O 1P01G9PW [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.267 Cc1ccncc1CNCCO 1P01C232 [1,1,0,0,0,0|2,0,0]=4 1296 B12R1.267 ClCCCOc1ccccc1F 1P01DVG3 [1,1,0,0,0,0|2,0,0]=4 1297 B12R1.267 ClCCCSc1ccccc1Cl 1P01AADU [1,1,0,0,0,0|2,0,0]=4 1298 B12R1.267 ICCCCc1ccccc1F 1P01JMO9 [1,1,0,0,0,0|1,0,0]=3 1299 B12R1.267 N#CCCCc1ccccc1Br 1P01A6XU [1,1,0,0,0,0|1,0,1]=4 1300 B12R1.267 N#CCCCc1ccccc1Cl 1P01A6XI [1,1,0,0,0,0|1,0,1]=4 1301 B12R1.267 NCCCCn1ccccc1=O 1P019YM6 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.267 NCCCNc1ccccc1F 1P01A77W [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.267 NCCCOc1ccccc1C 1P003IHS [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.267 NCCCOc1ccccc1F 1P00HB27 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.267 NCCOCc1ccccc1Cl 1P00J1AM [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.267 NCCSCc1ccccc1Cl 1P00C8W5 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.267 NCCSCc1ccccc1F 1P00J8L6 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.267 O=CCCCc1ccccc1Br 1P01RCJ6 [1,1,0,0,0,0|0,0,2]=4 1309 B12R1.267 OCCCCc1ccccc1Br 1P00HHNP [1,1,0,0,0,0|0,0,0]=2 1310 B12R1.267 OCCCNc1ccccc1N 1P01A9LS [1,1,0,0,0,0|1,0,0]=3 1311 B12R1.267 OCCCOc1ccccc1Br 1P01AIZG [1,1,0,0,0,0|1,0,0]=3 1312 B12R1.267 OCCCOc1ccccc1Cl 1P019XLD [1,1,0,0,0,0|1,0,0]=3 1313 B12R1.267 OCCCSc1ccncc1N 1P01ABOA [1,1,0,0,0,0|2,0,0]=4 1314 B12R1.267 OCCNCc1ccccc1Br 1P00I599 [1,1,0,0,0,0|1,0,0]=3 1315 B12R1.267 OCCNCc1ccccc1Br 1P027W9J [1,1,0,0,0,0|1,0,0]=3 1316 B12R1.267 OCCNCc1ccccc1Cl 1P00J1KS [1,1,0,0,0,0|1,0,0]=3 1317 B12R1.267 OCCNCc1cccnc1Cl 1P01BHP2 [1,1,0,0,0,0|2,0,0]=4 1318 B12R1.7 CCCCCCc1ccc(s1)Br 1P003H6H [0,1,0,0,1,0|2,0,0]=4 1319 B12R1.7 CCCCCCc1csc(c1)Br 1P002LDX [0,1,0,0,1,0|2,0,0]=4 1320 B12R1.7 Cc1ccc(s1)CNCCCO 1P00J4JY [0,1,0,0,1,0|2,0,0]=4 1321 B12R1.7 OCCOCCC1=CC=C(Br)S1 1P01JZHB [0,1,0,0,1,0|2,0,0]=4 1322 B12R1.37 CCCCCCCc1ccsc1 1P003JZ7 [0,1,0,0,1,0|2,0,0]=4 1323 B12R1.255 OC(=O)CCCCc1cccs1 1P002L16 [0,1,0,0,1,0|1,0,1]=4 1324 B12R1.255 OC(=O)CCCCn1cccc1 1P001DLL [0,1,0,0,1,0|1,0,1]=4 1325 B12R1.372 CCCCCCc1ccsc1Br 1P003H3K [0,1,0,0,1,0|2,0,0]=4 1326 B12R1.372 CCCCCCc1ccsc1Cl 1P0051PE [0,1,0,0,1,0|2,0,0]=4 1327 B12R1.477 OCC(COCc1ccco1)O 1P028RM5 [0,1,0,0,1,0|2,0,0]=4 1328 B14R1.26 CCCCCCNc1cccc(c1)Br 1P01AK5S [0,2,0,0,0,0|1,0,0]=3 1329 B14R1.26 CCCCCCOc1cccc(c1)Br 1P001SRG [0,2,0,0,0,0|1,0,0]=3 1330 B14R1.26 CCCCCNCc1cccc(c1)O 1P01A9NU [0,2,0,0,0,0|1,0,0]=3 1331 B14R1.26 CCOCCNCc1cccc(c1)O 1P01AZGY [0,2,0,0,0,0|2,0,0]=4 1332 B14R1.26 CCOCCOCc1cccc(c1)N 1P019VOA [0,2,0,0,0,0|2,0,0]=4 1333 B14R1.26 COCCCNCc1cccc(c1)Br 1P01B0PA [0,2,0,0,0,0|1,0,0]=3 1334 B14R1.26 ClCCOCCCc1cccc(n1)C 1P01EVFY [0,2,0,0,0,0|2,0,0]=4 1335 B14R1.26 NCCSCCOc1cccc(c1)Br 1P01AHX7 [0,2,0,0,0,0|2,0,0]=4 1336 B14R1.26 OCCOCCCc1cccc(n1)C 1P005H4V [0,2,0,0,0,0|1,0,0]=3 1337 B14R1.32 CCCC(NCc1cccc(c1)O)C 1P01A9NT [0,2,0,0,0,0|2,0,0]=4 1338 B14R1.148 OC(=O)CCCCc1cccc(c1)Br 1P004YQU [0,2,0,0,0,0|0,0,1]=3 1339 B14R1.148 OC(=O)CCCCc1cccc(c1)O 1P00BJ4X [0,2,0,0,0,0|0,0,1]=3 1340 B14R1.148 OC(=O)CCCCc1cccc(n1)N 1P028U4B [0,2,0,0,0,0|1,0,1]=4 1341 B14R1.148 OC(=O)CCCOc1cccc(c1)Br 1P019I7M [0,2,0,0,0,0|1,0,1]=4 1342 B14R1.148 OC(=O)CCCOc1cccc(c1)C 1P006ZXN [0,2,0,0,0,0|1,0,1]=4 1343 B14R1.148 OC(=O)CCCOc1cccc(c1)F 1P008E8U [0,2,0,0,0,0|1,0,1]=4 1344 B14R1.148 OC(=O)CCNCc1cccc(c1)C 1P019NV4 [0,2,0,0,0,0|1,0,1]=4 1345 B14R1.148 OC(=O)CCNCc1cccc(c1)Cl 1P019VNF [0,2,0,0,0,0|1,0,1]=4 1346 B14R1.148 OC(=O)CCNCc1cccc(c1)F 1P01ACOD [0,2,0,0,0,0|1,0,1]=4 1347 B14R1.148 OC(=O)COCCc1cccc(c1)F 1P01C5TE [0,2,0,0,0,0|1,0,1]=4 1348 B14R1.218 OCCCNCc1cc(Br)ccc1F 1P0290LK [0,2,0,0,0,0|1,0,0]=3 1349 B14R1.228 CCCCNCc1cccc(c1)C#N 1P019MB2 [0,2,0,0,0,0|2,0,0]=4 1350 B14R1.228 CCCCNCc1cccc(c1)OC 1P00J4G9 [0,2,0,0,0,0|2,0,0]=4 1351 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Cl 1P019X4S [0,2,0,0,0,0|1,0,0]=3 1352 B14R1.443 CCCCCCc1cc(Br)cc(c1)Br 1P00GA1P [0,2,0,0,0,0|1,0,0]=3 1353 B14R1.443 CCCCCCc1cc(O)cc(c1)O 1P00DXH4 [0,2,0,0,0,0|1,0,0]=3 1354 B14R1.13 OC[C@H](CSCc1ccc(cc1)C)N 1P00DBDR [0,2,0,0,0,0|1,0,0]=3 1355 B14R1.14 BrCCCCCOc1ccc(cc1)Br 1P01NWJ0 [0,2,0,0,0,0|1,0,0]=3 1356 B14R1.14 C=CCCCCOc1ccc(cc1)O 1P008GB0 [0,2,0,0,0,0|1,0,1]=4 1357 B14R1.14 C=CCCCOCc1ccc(cc1)N 1P0286LX [0,2,0,0,0,0|1,0,1]=4 1358 B14R1.14 CCCCCCCc1ccc(cc1)Br 1P003BHX [0,2,0,0,0,0|1,0,0]=3 1359 B14R1.14 CCCCCCCc1ccc(cc1)N 1P003LXF [0,2,0,0,0,0|1,0,0]=3 1360 B14R1.14 CCCCCCCc1ccc(cc1)O 1P002C6D [0,2,0,0,0,0|1,0,0]=3 1361 B14R1.14 CCCCCCNc1ccc(cc1)Br 1P01AK7G [0,2,0,0,0,0|1,0,0]=3 1362 B14R1.14 CCCCCCOc1ccc(cc1)Br 1P0031MQ [0,2,0,0,0,0|1,0,0]=3 1363 B14R1.14 CCCCCCOc1ccc(cc1)N 1P003KP4 [0,2,0,0,0,0|1,0,0]=3 1364 B14R1.14 CCCCCCOc1ccc(cc1)O 1P002EFU [0,2,0,0,0,0|1,0,0]=3 1365 B14R1.14 CCCCCNCc1ccc(cc1)Cl 1P019OAU [0,2,0,0,0,0|1,0,0]=3 1366 B14R1.14 CCCCCNCc1ccc(cc1)F 1P00G7Z0 [0,2,0,0,0,0|1,0,0]=3 1367 B14R1.14 COCCCCNc1ccc(cn1)Br 1P01B821 [0,2,0,0,0,0|2,0,0]=4 1368 B14R1.14 COCCCNCc1ccc(cc1)C 1P00J1JV [0,2,0,0,0,0|1,0,0]=3 1369 B14R1.14 COCCCNCc1ccc(cc1)F 1P00J1KR [0,2,0,0,0,0|1,0,0]=3 1370 B14R1.14 OCCNCCOc1ccc(cc1)Cl 1P00J46O [0,2,0,0,0,0|1,0,0]=3 1371 B14R1.14 OCCOCCNc1ccc(cn1)Br 1P01B820 [0,2,0,0,0,0|2,0,0]=4 1372 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1P001XGT [0,2,0,0,0,0|1,0,1]=4 1373 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1P005NLJ [0,2,0,0,0,0|1,0,1]=4 1374 B14R1.19 CCCCCC(=O)c1ccc(cc1)N 1P003L81 [0,2,0,0,0,0|1,0,1]=4 1375 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1P003KPE [0,2,0,0,0,0|1,0,1]=4 1376 B14R1.19 ClCCCCC(=O)c1ccc(cc1)Br 1P00DFE5 [0,2,0,0,0,0|1,0,1]=4 1377 B14R1.19 NC(c1ccc(cc1)Br)CCCC#C 1P0286SI [0,2,0,0,0,0|1,0,1]=4 1378 B14R1.19 OCCCNC(=O)c1ccc(cc1)N 1P01A8MP [0,2,0,0,0,0|1,0,1]=4 1379 B14R1.19 OCCNCC(c1ccc(cc1)Br)O 1P01B32P [0,2,0,0,0,0|1,0,0]=3 1380 B14R1.33 OC(Cc1ccc(cc1)F)CCC#C 1P027Z9K [0,2,0,0,0,0|1,0,1]=4 1381 B14R1.33 OCCNC(=O)Cc1ccc(cc1)N 1P01A8MZ [0,2,0,0,0,0|1,0,1]=4 1382 B14R1.33 OCCNC(=O)Cc1ccc(cc1)O 1P01AHIT [0,2,0,0,0,0|1,0,1]=4 1383 B14R1.677 CC(CNCCc1ccc(cc1)Cl)Cl 1P00IJH5 [0,2,0,0,0,0|2,0,0]=4 1384 B14R1.677 CC(CNCCc1ccc(cc1)Cl)O 1P004ZNZ [0,2,0,0,0,0|1,0,0]=3 1385 B14R1.677 CC(CNCCc1ccc(cc1)F)C 1P019MAC [0,2,0,0,0,0|2,0,0]=4 1386 B14R1.677 NC(=O)CCCCc1ccc(cc1)F 1P01AD9J [0,2,0,0,0,0|0,0,2]=4 1387 B14R1.677 OC(=O)CCCCc1ccc(cc1)Br 1P00BH4G [0,2,0,0,0,0|0,0,1]=3 1388 B14R1.677 OC(=O)CCCCc1ccc(cc1)C 1P008OUH [0,2,0,0,0,0|0,0,1]=3 1389 B14R1.677 OC(=O)CCCCc1ccc(cc1)Cl 1P00ASJO [0,2,0,0,0,0|0,0,1]=3 1390 B14R1.677 OC(=O)CCCCc1ccc(cc1)F 1P002ORB [0,2,0,0,0,0|0,0,1]=3 1391 B14R1.677 OC(=O)CCCCc1ccc(cc1)I 1P01A9Y9 [0,2,0,0,0,0|0,0,1]=3 1392 B14R1.677 OC(=O)CCCCc1ccc(cc1)O 1P003MMQ [0,2,0,0,0,0|0,0,1]=3 1393 B14R1.677 OC(=O)CCCNc1ccc(cc1)I 1P01AKC1 [0,2,0,0,0,0|1,0,1]=4 1394 B14R1.677 OC(=O)CCCNc1ccc(cc1)N 1P01AK6Q [0,2,0,0,0,0|1,0,1]=4 1395 B14R1.677 OC(=O)CCCOc1ccc(cc1)Br 1P00DIZ2 [0,2,0,0,0,0|1,0,1]=4 1396 B14R1.677 OC(=O)CCCOc1ccc(cc1)C 1P006ZXM [0,2,0,0,0,0|1,0,1]=4 1397 B14R1.677 OC(=O)CCCOc1ccc(cc1)Cl 1P00BZGL [0,2,0,0,0,0|1,0,1]=4 1398 B14R1.677 OC(=O)CCCOc1ccc(cc1)F 1P001NXQ [0,2,0,0,0,0|1,0,1]=4 1399 B14R1.677 OC(=O)CCCOc1ccc(cc1)I 1P019X7O [0,2,0,0,0,0|1,0,1]=4 1400 B14R1.677 OC(=O)CCCSc1ccc(cc1)Br 1P01AH6F [0,2,0,0,0,0|1,0,1]=4 1401 B14R1.677 OC(=O)CCCSc1ccc(cc1)C 1P002HFB [0,2,0,0,0,0|1,0,1]=4 1402 B14R1.677 OC(=O)CCCSc1ccc(cc1)Cl 1P002Y3I [0,2,0,0,0,0|1,0,1]=4 1403 B14R1.677 OC(=O)CCNCc1ccc(cc1)Cl 1P019VF0 [0,2,0,0,0,0|1,0,1]=4 1404 B14R1.677 OC(=O)CCNCc1ccc(cc1)F 1P019VGO [0,2,0,0,0,0|1,0,1]=4 1405 B14R1.677 OC(=O)CCSCc1ccc(cc1)C 1P0054YS [0,2,0,0,0,0|1,0,1]=4 1406 B14R1.677 OC(=O)CCSCc1ccc(cc1)F 1P006Y9Z [0,2,0,0,0,0|1,0,1]=4 1407 B14R1.677 OC(=O)COCCc1ccc(cc1)Br 1P01E9I7 [0,2,0,0,0,0|1,0,1]=4 1408 B14R1.774 CCCCCCc1ccc(cc1O)O 1P003LXO [0,2,0,0,0,0|1,0,0]=3 1409 B14R1.774 CCCCNCc1ccc(cc1F)F 1P019MB0 [0,2,0,0,0,0|2,0,0]=4 1410 B14R1.776 BrCCCCCc1ccc(cc1)OC 1P001KHA [0,2,0,0,0,0|1,0,0]=3 1411 B14R1.776 CCCCCCc1ccc(cc1)C#C 1P003EQV [0,2,0,0,0,0|1,0,0]=3 1412 B14R1.776 CCCCCCc1ccc(cc1)NN 1P000RDW [0,2,0,0,0,0|1,0,0]=3 1413 B14R1.776 CCCCCOc1ccc(cc1)C#C 1P003EQU [0,2,0,0,0,0|2,0,0]=4 1414 B14R1.776 CCCCCOc1ccc(cc1)C=O 1P003KQN [0,2,0,0,0,0|2,0,0]=4 1415 B14R1.776 CCCCCOc1ccc(cc1)CO 1P01QRJM [0,2,0,0,0,0|2,0,0]=4 1416 B14R1.776 CCCCNCc1ccc(cc1)OC 1P0076ZH [0,2,0,0,0,0|2,0,0]=4 1417 B14R1.776 NCCCOCc1ccc(cc1)OC 1P01AABS [0,2,0,0,0,0|2,0,0]=4 1418 B14R1.776 OCCCNCc1ccc(cc1)OC 1P006O8J [0,2,0,0,0,0|1,0,0]=3 1419 B14R1.776 OCCCOCc1ccc(cc1)OC 1P00802Y [0,2,0,0,0,0|1,0,0]=3 1420 B14R1.38 CCCCCCC(=O)c1ccccc1 1P001XLE [0,2,0,0,0,0|1,0,0]=3 1421 B14R1.38 CCCCCCC(=O)c1ccccn1 1P00EF58 [0,2,0,0,0,0|2,0,0]=4 1422 B14R1.38 COCCCCC(c1ccccc1)N 1P01BGS6 [0,2,0,0,0,0|0,0,0]=2 1423 B14R1.38 COCCOCC(c1ccccc1)O 1P02927N [0,2,0,0,0,0|1,0,0]=3 1424 B14R1.38 ClCCCCOC(=O)c1ccccc1 1P00IIUH [0,2,0,0,0,0|1,0,1]=4 1425 B14R1.38 FCCCCNC(=O)c1ccccc1 1P0280VR [0,2,0,0,0,0|1,0,1]=4 1426 B14R1.38 ICCCCOC(=O)c1ccccc1 1P002FFL [0,2,0,0,0,0|1,0,1]=4 1427 B14R1.46 CCCNCC(c1ccccc1)(C)C 1P019SLB [0,2,0,0,0,0|2,0,0]=4 1428 B14R1.46 NCCCCS(=O)(=N)c1ccccc1 1P028M0R [0,2,0,0,0,0|2,0,0]=4 1429 B14R1.121 CCCCNC(c1ccccc1)CC 1P01AIX8 [0,2,0,0,0,0|2,0,0]=4 1430 B14R1.163 CCC(CCC(=O)c1ccccc1)Br 1P005DI7 [0,2,0,0,0,0|1,0,1]=4 1431 B14R1.163 NCC(COC(c1ccccc1)C)O 1P019NZD [0,2,0,0,0,0|2,0,0]=4 1432 B14R1.163 OCC(COC(=O)c1ccccc1)O 1P007JA0 [0,2,0,0,0,0|1,0,1]=4 1433 B14R1.163 OCC(NCC(c1ccccc1)O)C 1P01AGDS [0,2,0,0,0,0|1,0,0]=3 1434 B14R1.163 OC[C@@H](NCC(c1ccccc1)C)C 1P01BBQK [0,2,0,0,0,0|1,0,0]=3 1435 B14R1.420 C1(=CC=CC=C1)C(CCCC(=O)O)=C 1P01JJ9T [0,2,0,0,0,0|0,0,2]=4 1436 B14R1.420 CC(CCCC(=O)c1ccccc1)C 1P00CDS5 [0,2,0,0,0,0|1,0,1]=4 1437 B14R1.420 CC(c1ccccc1)CCCC(=O)O 1P028YI2 [0,2,0,0,0,0|0,0,1]=3 1438 B14R1.420 CC(c1ccccc1)COCC(=O)O 1P01C5V9 [0,2,0,0,0,0|1,0,1]=4 1439 B14R1.420 CC(c1ccccc1)NCCC(C)C 1P0284ZH [0,2,0,0,0,0|2,0,0]=4 1440 B14R1.420 NC(c1ccccc1)CCCC(=O)O 1P028KBS [0,2,0,0,0,0|0,0,1]=3 1441 B14R1.420 N[C@@H](c1ccccc1)CCCC(=O)O 1P00231H [0,2,0,0,0,0|0,0,1]=3 1442 B14R1.420 O=C(c1ccccc1)CCCC(=O)O 1P001MSV [0,2,0,0,0,0|0,0,2]=4 1443 B14R1.420 OC(c1ccccc1)CCCC(=O)[O-] 1P01C3NU [0,2,0,0,0,0|0,0,2]=4 1444 B14R1.420 OC(c1ccccc1)CNCC(C)C 1P01AJMQ [0,2,0,0,0,0|2,0,0]=4 1445 B14R1.123 BrCCCCCCCc1ccccc1 1P00G39J [0,2,0,0,0,0|1,0,0]=3 1446 B14R1.123 BrCCCCCCOc1ccccc1 1P003NSE [0,2,0,0,0,0|1,0,0]=3 1447 B14R1.123 BrCCCCCOCc1ccccc1 1P0004VJ [0,2,0,0,0,0|1,0,0]=3 1448 B14R1.123 BrCCOCCOCc1ccccc1 1P00HIQN [0,2,0,0,0,0|1,0,0]=3 1449 B14R1.123 C#CCCCCCOc1ccccc1 1P0249AR [0,2,0,0,0,0|1,0,0]=3 1450 B14R1.123 CCCCCCCC[n+]1ccccc1 1P0035VF [0,2,0,0,0,0|2,0,0]=4 1451 B14R1.123 CCCCCCCC[n+]1ccccc1 1P003884 [0,2,0,0,0,0|2,0,0]=4 1452 B14R1.123 CCCCCCCCc1ccccc1 1P003TXR [0,2,0,0,0,0|1,0,0]=3 1453 B14R1.123 CCCCCCCCc1cccnc1 1P00ELMI [0,2,0,0,0,0|2,0,0]=4 1454 B14R1.123 CCCCCCCCc1ccncc1 1P00CAPE [0,2,0,0,0,0|2,0,0]=4 1455 B14R1.123 CCCCCNOCc1ccccc1 1P01NWH7 [0,2,0,0,0,0|1,0,0]=3 1456 B14R1.123 CCCCNCC#Cc1ccccc1 1P00J4IP [0,2,0,0,0,0|1,0,1]=4 1457 B14R1.123 CCCCNCCCc1ccccc1 1P00JU14 [0,2,0,0,0,0|1,0,0]=3 1458 B14R1.123 CCNCCCOCc1ccccc1 1P01DVKP [0,2,0,0,0,0|1,0,0]=3 1459 B14R1.123 CCOCCCNCc1ccccc1 1P01AZYF [0,2,0,0,0,0|1,0,0]=3 1460 B14R1.123 COCCCCNCc1ccccc1 1P019XU2 [0,2,0,0,0,0|0,0,0]=2 1461 B14R1.123 COCCNCC#Cc1ccccc1 1P00J4IV [0,2,0,0,0,0|0,0,2]=4 1462 B14R1.123 COCCNCCCc1ccccc1 1P01A7ZW [0,2,0,0,0,0|0,0,0]=2 1463 B14R1.123 COCCNCCOc1ccccc1 1P0036P5 [0,2,0,0,0,0|1,0,0]=3 1464 B14R1.123 COCCNCCOc1ccccc1 1P00J3R1 [0,2,0,0,0,0|1,0,0]=3 1465 B14R1.123 ClCCOCCOCc1ccccc1 1P01EAP0 [0,2,0,0,0,0|1,0,0]=3 1466 B14R1.123 N#CCCCOCCc1ccccc1 1P01AICR [0,2,0,0,0,0|1,0,0]=3 1467 B14R1.123 NCCCCCCCc1ccccc1 1P028K6I [0,2,0,0,0,0|1,0,0]=3 1468 B14R1.123 NCCCCNOCc1ccccc1 1P01C2PT [0,2,0,0,0,0|1,0,0]=3 1469 B14R1.123 NCCCCOCCc1ccccc1 1P019VXW [0,2,0,0,0,0|1,0,0]=3 1470 B14R1.123 NCCCNCCCc1ccccc1 1P006IOU [0,2,0,0,0,0|1,0,0]=3 1471 B14R1.123 NCCOCCOCc1ccccc1 1P00HS1I [0,2,0,0,0,0|1,0,0]=3 1472 B14R1.123 O=C=NCCCOCc1ccccc1 1P02928R [0,2,0,0,0,0|0,0,2]=4 1473 B14R1.123 O=CCCCCOCc1ccccc1 1P008NSZ [0,2,0,0,0,0|0,0,1]=3 1474 B14R1.123 OCCCCCCCc1ccccc1 1P003NXM [0,2,0,0,0,0|0,0,0]=2 1475 B14R1.123 OCCCCCNCc1ccccc1 1P002YO1 [0,2,0,0,0,0|0,0,0]=2 1476 B14R1.123 OCCCCCOCc1ccccc1 1P003MVS [0,2,0,0,0,0|0,0,0]=2 1477 B14R1.123 OCCCNC\C=C\c1ccccc1 1P00J4J2 [0,2,0,0,0,0|0,0,1]=3 1478 B14R1.123 OCCOCCOCc1ccccc1 1P002A9X [0,2,0,0,0,0|0,0,0]=2 1479 B14R1.123 [N-]=[N+]=NCCCOCc1ccccc1 1P027U4T [0,2,0,0,0,0|2,0,0]=4 1480 B14R1.156 BrCCCC(=O)OCc1ccccc1 1P000T9E [0,2,0,0,0,0|1,0,1]=4 1481 B14R1.156 CCCCC(=O)OCc1ccccc1 1P0038TH [0,2,0,0,0,0|1,0,1]=4 1482 B14R1.156 NCCCC(=O)OCc1ccccc1 1P0054QJ [0,2,0,0,0,0|1,0,1]=4 1483 B14R1.156 NCCCC(=O)OCc1ccccc1 1P007L7Z [0,2,0,0,0,0|1,0,1]=4 1484 B14R1.156 OC(CCC#C)CCc1ccccc1 1P028N5Q [0,2,0,0,0,0|1,0,0]=3 1485 B14R1.156 OCCCC(=O)OCc1ccccc1 1P006672 [0,2,0,0,0,0|0,0,1]=3 1486 B14R1.156 OCCNC(=O)OCc1ccccc1 1P0038WD [0,2,0,0,0,0|1,0,1]=4 1487 B14R1.156 OCCNC(COc1ccccc1)C 1P003GO7 [0,2,0,0,0,0|1,0,0]=3 1488 B14R1.156 OCCOC(=O)NCc1ccccc1 1P00DFU3 [0,2,0,0,0,0|1,0,1]=4 1489 B14R1.158 CCCCNC(Cc1ccccc1)C 1P01EQCW [0,2,0,0,0,0|1,0,0]=3 1490 B14R1.158 CCCCOC(=O)Cc1ccccc1 1P0016ZZ [0,2,0,0,0,0|1,0,1]=4 1491 B14R1.158 COCCCC(Cc1ccccc1)N 1P01BGUZ [0,2,0,0,0,0|0,0,0]=2 1492 B14R1.158 NCCCCN(Cc1ccccc1)C 1P0070LU [0,2,0,0,0,0|1,0,0]=3 1493 B14R1.158 OCCCCN(Cc1ccccc1)C 1P019YVF [0,2,0,0,0,0|0,0,0]=2 1494 B14R1.158 OCCNCC(=O)Nc1ccccc1 1P004SR7 [0,2,0,0,0,0|1,0,1]=4 1495 B14R1.422 CC(CCCOCc1ccccc1)O 1P01AHS3 [0,2,0,0,0,0|0,0,0]=2 1496 B14R1.422 CN(CCCNCc1ccccc1)C 1P019K11 [0,2,0,0,0,0|2,0,0]=4 1497 B14R1.422 CN(CCNCCc1ccccc1)C 1P019UQI [0,2,0,0,0,0|2,0,0]=4 1498 B14R1.422 NC(=O)CCNCCc1ccccc1 1P00C6GV [0,2,0,0,0,0|0,0,2]=4 1499 B14R1.422 NC(=O)CCNCCc1ccccc1 1P00J3Q2 [0,2,0,0,0,0|0,0,2]=4 1500 B14R1.422 OC(=O)CCCC#Cc1ccccc1 1P020MVZ [0,2,0,0,0,0|0,0,2]=4 1501 B14R1.422 OC(=O)CCCCCc1ccccc1 1P003NSL [0,2,0,0,0,0|0,0,0]=2 1502 B14R1.422 OC(=O)CCCCOc1ccccc1 1P003NET [0,2,0,0,0,0|0,0,1]=3 1503 B14R1.422 OC(=O)CCCNCc1ccccc1 1P00EPDZ [0,2,0,0,0,0|0,0,1]=3 1504 B14R1.422 OC(=O)CCCNCc1ccccn1 1P019XYW [0,2,0,0,0,0|1,0,1]=4 1505 B14R1.422 OC(=O)CCCOCc1ccccc1 1P003LAD [0,2,0,0,0,0|0,0,1]=3 1506 B14R1.422 OC(=O)CCNCCc1ccccc1 1P01AA24 [0,2,0,0,0,0|0,0,1]=3 1507 B14R1.422 OC(=O)COCCOc1ccccc1 1P019NWM [0,2,0,0,0,0|1,0,1]=4 1508 B14R1.422 OC(=O)CSCCCc1ccccc1 1P019NRI [0,2,0,0,0,0|0,0,1]=3 1509 B14R1.520 CCCC(=O)OCCc1ccccc1 1P003U4O [0,2,0,0,0,0|1,0,1]=4 1510 B14R1.520 CCOC(=O)CCCc1ccccc1 1P00021I [0,2,0,0,0,0|1,0,1]=4 1511 B14R1.520 CCOC(OCCc1ccccc1)C 1P00BC8O [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.520 CNCC(COCc1ccccc1)O 1P00EBBC [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.520 ClCCC(=O)NCCc1ccccc1 1P00BFMN [0,2,0,0,0,0|1,0,1]=4 1514 B14R1.520 NCC[C@@H](COCc1ccccc1)O 1P01BYAR [0,2,0,0,0,0|1,0,0]=3 1515 B14R1.520 NCC[C@H](COCc1ccccc1)O 1P01BYAT [0,2,0,0,0,0|1,0,0]=3 1516 B14R1.520 OCCC(COCc1ccccc1)F 1P024HVF [0,2,0,0,0,0|0,0,0]=2 1517 B14R1.520 OCCC(COCc1ccccc1)O 1P003L9P [0,2,0,0,0,0|0,0,0]=2 1518 B14R1.520 OCCN(CCOc1ccccc1)C 1P000A9E [0,2,0,0,0,0|1,0,0]=3 1519 B14R1.520 OCC[C@@H](COCc1ccccc1)O 1P003D34 [0,2,0,0,0,0|0,0,0]=2 1520 B14R1.716 C=CC(CCC#Cc1ccccc1)O 1P01XGH1 [0,2,0,0,0,0|0,0,2]=4 1521 B14R1.716 COC(=O)CCCCc1ccccc1 1P002B1L [0,2,0,0,0,0|0,0,1]=3 1522 B14R1.716 COC(=O)CCCSc1ccccc1 1P002Y3H [0,2,0,0,0,0|1,0,1]=4 1523 B14R1.716 COC(=O)CCNCc1ccccc1 1P002O60 [0,2,0,0,0,0|1,0,1]=4 1524 B14R1.716 COC(=O)CCNCc1ccccc1 1P00BLDW [0,2,0,0,0,0|1,0,1]=4 1525 B14R1.716 COC(=O)CCOCc1ccccc1 1P00CJ99 [0,2,0,0,0,0|1,0,1]=4 1526 B14R1.716 COC(=O)CNCCc1ccccc1 1P01A5G2 [0,2,0,0,0,0|1,0,1]=4 1527 B14R1.716 ClCC(=O)NCCCc1ccccc1 1P00ER44 [0,2,0,0,0,0|1,0,1]=4 1528 B14R1.716 OCC(CCOCc1ccccc1)N 1P02933N [0,2,0,0,0,0|0,0,0]=2 1529 B14R1.716 OC[C@H](CCOCc1ccccc1)O 1P003D33 [0,2,0,0,0,0|0,0,0]=2 1530 B14R1.882 CCCCCCOc1ccccc1Br 1P01AJQY [0,2,0,0,0,0|1,0,0]=3 1531 B14R1.60 NCCC(N(Cc1ccccc1)C)C 1P019TTB [0,2,0,0,0,0|2,0,0]=4 1532 B14R1.598 CCCC(NCc1ccccc1O)C 1P01A9N4 [0,2,0,0,0,0|2,0,0]=4 1533 B14R1.756 OCC(C(=O)OCc1ccccc1)N 1P01A5NU [0,2,0,0,0,0|1,0,1]=4 1534 B14R1.756 OC[C@@H](C(=O)OCc1ccccc1)N 1P0035GV [0,2,0,0,0,0|1,0,1]=4 1535 B14R1.756 OC[C@H](C(=O)OCc1ccccc1)N 1P00HYD2 [0,2,0,0,0,0|1,0,1]=4 1536 B14R1.756 OC[C@H]([C@H](OCc1ccccc1)C)N 1P001VVP [0,2,0,0,0,0|1,0,0]=3 1537 B14R1.818 CC(CC(=O)O)CCc1ccccc1 1P01A85K [0,2,0,0,0,0|0,0,1]=3 1538 B14R1.818 CN(CC(=O)O)CCc1ccccc1 1P01BVJN [0,2,0,0,0,0|1,0,1]=4 1539 B14R1.818 C[C@@H](C[C@@H](O)C)OCc1ccccc1 1P000MH2 [0,2,0,0,0,0|1,0,0]=3 1540 B14R1.818 NC(CC(=O)O)CCc1ccccc1 1P00GT1H [0,2,0,0,0,0|0,0,1]=3 1541 B14R1.818 N[C@@H](CC(=O)O)CCc1ccccc1 1P001F6V [0,2,0,0,0,0|0,0,1]=3 1542 B14R1.818 N[C@@H](CC(=O)O)CCc1ccccc1 1P00CMOX [0,2,0,0,0,0|0,0,1]=3 1543 B14R1.818 N[C@H](CC(=O)O)CCc1ccccc1 1P00I4P3 [0,2,0,0,0,0|0,0,1]=3 1544 B14R1.6829 NCCS(=O)(=O)CCc1ccccc1 1P01B98I [0,2,0,0,0,0|2,0,0]=4 1545 B14R1.423 CN(Cc1ccccc1)CCC(=O)O 1P003J8P [0,2,0,0,0,0|1,0,1]=4 1546 B14R1.423 NC(Cc1ccccc1)CCC(=O)O 1P01A65K [0,2,0,0,0,0|0,0,1]=3 1547 B14R1.423 O=C(Cc1ccccc1)CCC(=O)O 1P01E4LI [0,2,0,0,0,0|0,0,2]=4 1548 B14R1.467 NCCCN(Cc1ccccc1)CC 1P00HW7K [0,2,0,0,0,0|2,0,0]=4 1549 B14R1.467 OCCCN(Cc1ccccc1)N=O 1P02818B [0,2,0,0,0,0|1,0,0]=3 1550 B14R1.743 OCC(CN(Cc1ccccc1)C)O 1P00E9WT [0,2,0,0,0,0|1,0,0]=3 1551 B14R1.4528 NCCCS(=O)(=O)Cc1ccccc1 1P019NI2 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.159 OC(=O)CCCCc1ccccc1O 1P0289HA [0,2,0,0,0,0|0,0,1]=3 1553 B14R1.159 OC(=O)CCCOc1ccccc1Br 1P019V2Q [0,2,0,0,0,0|1,0,1]=4 1554 B14R1.159 OC(=O)CCCOc1ccccc1C 1P006WQX [0,2,0,0,0,0|1,0,1]=4 1555 B14R1.159 OC(=O)CCCOc1ccccc1Cl 1P01A8K5 [0,2,0,0,0,0|1,0,1]=4 1556 B14R1.159 OC(=O)CCCOc1ccccc1F 1P00BHHF [0,2,0,0,0,0|1,0,1]=4 1557 B14R1.159 OC(=O)CCNCc1ccccc1Cl 1P019VG1 [0,2,0,0,0,0|1,0,1]=4 1558 B14R1.3331 CC(CCNCc1ccccc1)(C)C 1P01ADBL [0,2,0,0,0,0|2,0,0]=4 1559 B14R1.3331 CC(CCNCc1ccccc1)(O)C 1P01DVU9 [0,2,0,0,0,0|1,0,0]=3 1560 B14R1.3331 C[Si](CCCCc1ccccc1)(Cl)C 1P007H99 [0,2,0,0,0,0|1,1,0]=4 1561 B14R1.3331 FC(CCNCc1ccccc1)(F)F 1P008Q3H [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.3331 NS(=O)(=O)CCCCc1ccccc1 1P01XDGJ [0,2,0,0,0,0|1,0,1]=4 1563 B14R1.3331 OP(=O)(CCCCc1ccccc1)O 1P00DFA8 [0,2,0,0,0,0|1,0,0]=3 1564 B14R1.3331 OP(=O)(CCNCc1ccccc1)O 1P0293U5 [0,2,0,0,0,0|2,0,0]=4 1565 B14R1.3331 OS(=O)(=O)CCCC[n+]1ccccc1 1P0050D1 [0,2,0,0,0,0|2,0,0]=4 1566 B14R1.3331 OS(=O)(=O)CCCC[n+]1ccccc1 1P00G8I4 [0,2,0,0,0,0|2,0,0]=4 1567 B14R1.6449 CC(C(=O)O)CCOc1ccccc1 1P019TJN [0,2,0,0,0,0|1,0,1]=4 1568 B14R1.6449 CC(C(=O)O)CNCc1ccccc1 1P019UB8 [0,2,0,0,0,0|1,0,1]=4 1569 B14R1.6449 CC(C(=O)O)COCc1ccccc1 1P019XXR [0,2,0,0,0,0|1,0,1]=4 1570 B14R1.6449 CC(C(=O)O)CSCc1ccccc1 1P0083WX [0,2,0,0,0,0|1,0,1]=4 1571 B14R1.6449 ClC(C(=O)O)COCc1ccccc1 1P01PYY2 [0,2,0,0,0,0|1,0,1]=4 1572 B14R1.6449 NC(C(=O)O)CCSc1ccccc1 1P01BCRF [0,2,0,0,0,0|1,0,1]=4 1573 B14R1.6449 NC(C(=O)O)CNCc1ccccc1 1P01BGUT [0,2,0,0,0,0|1,0,1]=4 1574 B14R1.6449 NC(C(=O)O)COCc1ccccc1 1P00DEP9 [0,2,0,0,0,0|1,0,1]=4 1575 B14R1.6449 NC(C(C)C)CNCc1ccccc1 1P01BVIT [0,2,0,0,0,0|2,0,0]=4 1576 B14R1.6449 N[C@@H](C(=O)O)CCOc1ccccc1 1P01B7RN [0,2,0,0,0,0|1,0,1]=4 1577 B14R1.6449 N[C@@H](C(=O)O)CCOc1ccccc1 1P01B7RO [0,2,0,0,0,0|1,0,1]=4 1578 B14R1.6449 N[C@@H](C(=O)O)COCc1ccccc1 1P007YLV [0,2,0,0,0,0|1,0,1]=4 1579 B14R1.6449 N[C@@H](C(=O)O)COCc1ccccc1 1P009DP0 [0,2,0,0,0,0|1,0,1]=4 1580 B14R1.6449 N[C@@H](C(=O)O)CSCc1ccccc1 1P002MF9 [0,2,0,0,0,0|1,0,1]=4 1581 B14R1.6449 N[C@H](C(=O)O)CCOc1ccccc1 1P01B761 [0,2,0,0,0,0|1,0,1]=4 1582 B14R1.6449 N[C@H](C(=O)O)COCc1ccccc1 1P005X8X [0,2,0,0,0,0|1,0,1]=4 1583 B14R1.6449 N[C@H](C(=O)O)COCc1ccccc1 1P00D8X0 [0,2,0,0,0,0|1,0,1]=4 1584 B14R1.6449 N[C@H](C(=O)O)CSCc1ccccc1 1P0030YO [0,2,0,0,0,0|1,0,1]=4 1585 B14R1.6449 O=C(C(O)C)NCCc1ccccc1 1P01B869 [0,2,0,0,0,0|1,0,1]=4 1586 B14R1.6449 OC(=O)C(CCCc1ccccc1)C 1P01A566 [0,2,0,0,0,0|0,0,1]=3 1587 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P002A24 [0,2,0,0,0,0|0,0,1]=3 1588 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P01AHR1 [0,2,0,0,0,0|0,0,1]=3 1589 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P027TRR [0,2,0,0,0,0|0,0,1]=3 1590 B14R1.6449 OC(=O)C(CCCc1ccccc1)O 1P01DJ2I [0,2,0,0,0,0|0,0,1]=3 1591 B14R1.6449 OC(=O)C(OCCc1ccccc1)C 1P01APJW [0,2,0,0,0,0|1,0,1]=4 1592 B14R1.6449 OC(=O)[C@@H](CCCc1ccccc1)N 1P00C7KE [0,2,0,0,0,0|0,0,1]=3 1593 B14R1.6449 OC(=O)[C@H](CCCc1ccccc1)N 1P00E9LS [0,2,0,0,0,0|0,0,1]=3 1594 B14R1.6449 OC(C(=O)O)COCc1ccccc1 1P01DEAP [0,2,0,0,0,0|1,0,1]=4 1595 B14R1.6449 O[C@H](C(=O)O)COCc1ccccc1 1P000XUJ [0,2,0,0,0,0|1,0,1]=4 1596 B14R1.476 BrCCCCOc1ccccc1OC 1P01HVK2 [0,2,0,0,0,0|2,0,0]=4 1597 B14R1.476 CCCCNCc1ccccc1OC 1P00J23H [0,2,0,0,0,0|2,0,0]=4 1598 B14R1.476 NCCCCOc1ccccc1OC 1P01B7CA [0,2,0,0,0,0|2,0,0]=4 1599 B14R1.476 OCCCCOc1ccccc1C=O 1P01C4EZ [0,2,0,0,0,0|1,0,0]=3 1600 B14R1.476 OCCCNCc1ccccc1OC 1P00J1JL [0,2,0,0,0,0|1,0,0]=3 1601 B14R1.837 CCC(NCCc1ccccc1F)C 1P019MBQ [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.292 CCC(CNCc1ccccc1)(O)C 1P01AVLD [0,2,0,0,0,0|2,0,0]=4 1603 B14R1.292 NCC(CCCc1ccccc1)(C)C 1P01AIPU [0,2,0,0,0,0|1,0,0]=3 1604 B14R1.292 NCC(COCc1ccccc1)(F)F 1P028D9B [0,2,0,0,0,0|2,0,0]=4 1605 B14R1.292 OCC(COCc1ccccc1)(C)C 1P006KFL [0,2,0,0,0,0|1,0,0]=3 1606 B14R1.546 CCC(NCCc1ccccc1)CC 1P00J25C [0,2,0,0,0,0|2,0,0]=4 1607 B14R1.546 OCC(COCc1ccccc1)CO 1P000E64 [0,2,0,0,0,0|1,0,0]=3 1608 B12R2.1 BrCC1CCc2c1cccc2 1P00BK9T [1,0,0,1,0,0|1,0,0]=3 1609 B12R2.1 BrCC1COc2c1cccc2 1P01C3GI [1,0,0,1,0,0|2,0,0]=4 1610 B12R2.1 CCC1CNc2c1cccc2 1P01AM9I [1,0,0,1,0,0|1,0,0]=3 1611 B12R2.1 CCC1NCc2c1cccc2 1P01ACJL [1,0,0,1,0,0|1,0,0]=3 1612 B12R2.1 CCC1NCc2c1cccc2 1P01EJL0 [1,0,0,1,0,0|1,0,0]=3 1613 B12R2.1 CNC1CCc2c1cccc2 1P002K5A [1,0,0,1,0,0|1,0,0]=3 1614 B12R2.1 CN[C@@H]1CCc2c1cccc2 1P027URY [1,0,0,1,0,0|1,0,0]=3 1615 B12R2.1 COC1OCc2c1cccc2 1P003E0F [1,0,0,1,0,0|2,0,0]=4 1616 B12R2.1 N#CC1CCc2c1cccc2 1P002TQT [1,0,0,1,0,0|1,0,1]=4 1617 B12R2.1 NCC1CCc2c1cccc2 1P009331 [1,0,0,1,0,0|1,0,0]=3 1618 B12R2.1 NCC1CCc2c1cccc2 1P00D8W6 [1,0,0,1,0,0|1,0,0]=3 1619 B12R2.1 NCC1CCc2c1nccc2 1P01B386 [1,0,0,1,0,0|2,0,0]=4 1620 B12R2.1 NCC1COc2c1cccc2 1P01A1L7 [1,0,0,1,0,0|2,0,0]=4 1621 B12R2.1 NCC1COc2c1cccc2 1P01A1LW [1,0,0,1,0,0|2,0,0]=4 1622 B12R2.1 NCC1CSc2c1cccc2 1P01ANJB [1,0,0,1,0,0|2,0,0]=4 1623 B12R2.1 NCC1OCc2c1cccc2 1P002CXT [1,0,0,1,0,0|2,0,0]=4 1624 B12R2.1 NNC1CCc2c1cccc2 1P028PDT [1,0,0,1,0,0|2,0,0]=4 1625 B12R2.1 O=CC1CCc2c1cccc2 1P01AH7Z [1,0,0,1,0,0|0,0,2]=4 1626 B12R2.1 OCC1CCc2c1cccc2 1P000PPG [1,0,0,1,0,0|0,0,0]=2 1627 B12R2.1 OCC1CCc2c1nccc2 1P01BI2K [1,0,0,1,0,0|1,0,0]=3 1628 B12R2.1 OCC1CNc2c1cccc2 1P00II7A [1,0,0,1,0,0|1,0,0]=3 1629 B12R2.1 OCC1CNc2c1cccc2 1P01AMHG [1,0,0,1,0,0|1,0,0]=3 1630 B12R2.1 OCC1CSc2c1cccc2 1P01ANGJ [1,0,0,1,0,0|1,0,0]=3 1631 B12R2.1 OCC1NCc2c1cccc2 1P01DN79 [1,0,0,1,0,0|1,0,0]=3 1632 B12R2.1 O\N=C/1\CCc2c1cccc2 1P003EVX [1,0,0,1,0,0|1,0,1]=4 1633 B12R2.2 C1CCC(C1)c2cccnc2 1P0053X8 [1,0,0,1,0,0|1,0,0]=3 1634 B12R2.2 C1CCN(C1)c2ccccc2 1P00BXVT [1,0,0,1,0,0|1,0,0]=3 1635 B12R2.2 C1CCN(C1)c2ccccn2 1P00DLMK [1,0,0,1,0,0|2,0,0]=4 1636 B12R2.2 C1CCN(C1)c2ccncc2 1P002P0I [1,0,0,1,0,0|2,0,0]=4 1637 B12R2.2 C1CNC(C1)c2ccccc2 1P0002WI [1,0,0,1,0,0|1,0,0]=3 1638 B12R2.2 C1CNC(C1)c2ccccn2 1P00373R [1,0,0,1,0,0|2,0,0]=4 1639 B12R2.2 C1CNC(C1)c2cccnc2 1P00IAPC [1,0,0,1,0,0|2,0,0]=4 1640 B12R2.2 C1CNC(C1)c2ccncc2 1P000YNE [1,0,0,1,0,0|2,0,0]=4 1641 B12R2.2 C1CNC(C1)c2ccncc2 1P028R7Z [1,0,0,1,0,0|2,0,0]=4 1642 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P0037LI [1,0,0,1,0,0|1,0,0]=3 1643 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P00EIWN [1,0,0,1,0,0|1,0,0]=3 1644 B12R2.2 C1CN[C@@H](C1)c2ccccn2 1P00BI8S [1,0,0,1,0,0|2,0,0]=4 1645 B12R2.2 C1CN[C@@H](C1)c2ccccn2 1P01DE4D [1,0,0,1,0,0|2,0,0]=4 1646 B12R2.2 C1CN[C@@H](C1)c2cccnc2 1P00DC6C [1,0,0,1,0,0|2,0,0]=4 1647 B12R2.2 C1CN[C@@H](C1)c2cccnc2 1P00IN4F [1,0,0,1,0,0|2,0,0]=4 1648 B12R2.2 C1CN[C@@H](C1)c2ccncc2 1P020LS1 [1,0,0,1,0,0|2,0,0]=4 1649 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P0037IN [1,0,0,1,0,0|1,0,0]=3 1650 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P00EKMJ [1,0,0,1,0,0|1,0,0]=3 1651 B12R2.2 C1CN[C@H](C1)c2ccccn2 1P00IN42 [1,0,0,1,0,0|2,0,0]=4 1652 B12R2.2 C1CN[C@H](C1)c2cccnc2 1P00FHQ3 [1,0,0,1,0,0|2,0,0]=4 1653 B12R2.2 C1CN[C@H](C1)c2cccnc2 1P00I5U9 [1,0,0,1,0,0|2,0,0]=4 1654 B12R2.2 C1CN[C@H](C1)c2ccncc2 1P003UIU [1,0,0,1,0,0|2,0,0]=4 1655 B12R2.2 C1COB(O1)c2ccccc2 1P00E044 [1,0,0,1,0,0|2,0,0]=4 1656 B12R2.2 C1COC(C1)c2ccccc2 1P001STW [1,0,0,1,0,0|0,0,0]=2 1657 B12R2.2 C1COC(O1)c2ccccc2 1P003IBH [1,0,0,1,0,0|1,0,0]=3 1658 B12R2.2 C1CSC(C1)c2cccnc2 1P004XKW [1,0,0,1,0,0|1,1,0]=4 1659 B12R2.2 C1CSC(N1)c2ccccc2 1P006ZA0 [1,0,0,1,0,0|1,1,0]=4 1660 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [1,0,0,1,0,0|1,0,0]=3 1661 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [1,0,0,1,0,0|1,0,0]=3 1662 B12R2.2 C1NCC(C1)c2ccccn2 1P001MXE [1,0,0,1,0,0|2,0,0]=4 1663 B12R2.2 C1NCC(C1)c2ccccn2 1P009A8H [1,0,0,1,0,0|2,0,0]=4 1664 B12R2.2 C1NCC(C1)c2ccccn2 1P01EJJF [1,0,0,1,0,0|2,0,0]=4 1665 B12R2.2 C1NCC(C1)c2cccnc2 1P001MXD [1,0,0,1,0,0|2,0,0]=4 1666 B12R2.2 C1NCC(C1)c2cccnc2 1P00EKGP [1,0,0,1,0,0|2,0,0]=4 1667 B12R2.2 C1NCC(C1)c2ccncc2 1P001MXC [1,0,0,1,0,0|2,0,0]=4 1668 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [1,0,0,1,0,0|1,0,0]=3 1669 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [1,0,0,1,0,0|1,0,0]=3 1670 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [1,0,0,1,0,0|1,0,0]=3 1671 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [1,0,0,1,0,0|1,0,0]=3 1672 B12R2.2 O1CC[C@H](N1)c2ccccc2 1P01KZLY [1,0,0,1,0,0|2,0,0]=4 1673 B12R2.2 c1ccc(cc1)C2=CCCC2 1P008JAV [1,0,0,1,0,0|0,0,2]=4 1674 B12R2.2 c1ccc(cc1)C2=NCCC2 1P005M0Z [1,0,0,1,0,0|1,0,1]=4 1675 B12R2.2 c1ccc(cc1)C2=NCCO2 1P003KYO [1,0,0,1,0,0|1,0,1]=4 1676 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [1,0,0,1,0,0|1,0,0]=3 1677 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [1,0,0,1,0,0|1,0,0]=3 1678 B12R2.11 N[C@@H]1C[C@H]1Sc2ccccc2 1P028VGI [1,0,0,1,0,0|2,0,0]=4 1679 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [1,0,0,1,0,0|1,0,0]=3 1680 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [1,0,0,1,0,0|1,0,0]=3 1681 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [1,0,0,1,0,0|2,0,0]=4 1682 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [1,0,0,1,0,0|0,0,2]=4 1683 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [1,0,0,1,0,0|0,0,0]=2 1684 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [1,0,0,1,0,0|1,0,0]=3 1685 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [1,0,0,1,0,0|0,1,0]=3 1686 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [1,0,0,1,0,0|1,0,0]=3 1687 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [1,0,0,1,0,0|0,0,2]=4 1688 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [1,0,0,1,0,0|1,0,0]=3 1689 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [1,0,0,1,0,0|1,0,0]=3 1690 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [1,0,0,1,0,0|1,0,0]=3 1691 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [1,0,0,1,0,0|1,0,1]=4 1692 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [1,0,0,1,0,0|1,0,1]=4 1693 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [1,0,0,1,0,0|1,0,1]=4 1694 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [1,0,0,1,0,0|1,0,0]=3 1695 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [1,0,0,1,0,0|1,0,0]=3 1696 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [1,0,0,1,0,0|0,0,2]=4 1697 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [1,0,0,1,0,0|0,0,0]=2 1698 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [1,0,0,1,0,0|1,0,0]=3 1699 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [1,0,0,1,0,0|0,0,0]=2 1700 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [1,0,0,1,0,0|0,0,0]=2 1701 B12R2.41 C1C=Cc2c(CC1)cccc2 1P005WAO [1,0,0,1,0,0|0,0,2]=4 1702 B12R2.41 C1C=Cc2c(OC1)cccc2 1P001M8A [1,0,0,1,0,0|0,0,2]=4 1703 B12R2.41 C1CCc2c(CN1)cccn2 1P01BDAT [1,0,0,1,0,0|2,0,0]=4 1704 B12R2.41 C1CCc2c(CN1)cccn2 1P027YB6 [1,0,0,1,0,0|2,0,0]=4 1705 B12R2.41 C1CCc2c(CN1)ccnc2 1P027YU3 [1,0,0,1,0,0|2,0,0]=4 1706 B12R2.41 C1CCc2c(CN1)ccnc2 1P028UMR [1,0,0,1,0,0|2,0,0]=4 1707 B12R2.41 C1CCc2c(NC1)cccn2 1P00FGPK [1,0,0,1,0,0|2,0,0]=4 1708 B12R2.41 C1CCc2c(NC1)cncc2 1P01EJJJ [1,0,0,1,0,0|2,0,0]=4 1709 B12R2.41 C1CCc2c(NC1)nccc2 1P01BSOQ [1,0,0,1,0,0|2,0,0]=4 1710 B12R2.41 C1CNc2c(CC1)cccc2 1P00HZTY [1,0,0,1,0,0|1,0,0]=3 1711 B12R2.41 C1CNc2c(CC1)cccc2 1P01DU88 [1,0,0,1,0,0|1,0,0]=3 1712 B12R2.41 C1CNc2c(CN1)cccc2 1P00E9KS [1,0,0,1,0,0|2,0,0]=4 1713 B12R2.41 C1CNc2c(CO1)cccc2 1P00CLDL [1,0,0,1,0,0|2,0,0]=4 1714 B12R2.41 C1CNc2c(CS1)cccc2 1P028U73 [1,0,0,1,0,0|2,0,0]=4 1715 B12R2.41 C1CNc2c(NC1)cccc2 1P00EBJX [1,0,0,1,0,0|2,0,0]=4 1716 B12R2.41 C1COc2c(CN1)cccc2 1P0025ZY [1,0,0,1,0,0|1,0,0]=3 1717 B12R2.41 C1COc2c(CN1)cccc2 1P00BFX5 [1,0,0,1,0,0|1,0,0]=3 1718 B12R2.41 C1COc2c(CN1)cccn2 1P00IJR0 [1,0,0,1,0,0|2,0,0]=4 1719 B12R2.41 C1COc2c(CN1)ccnc2 1P01A6D2 [1,0,0,1,0,0|2,0,0]=4 1720 B12R2.41 C1COc2c(CN1)cncc2 1P028RR2 [1,0,0,1,0,0|2,0,0]=4 1721 B12R2.41 C1COc2c(CN1)nccc2 1P01BTVS [1,0,0,1,0,0|2,0,0]=4 1722 B12R2.41 C1COc2c(NC1)cccc2 1P005GT3 [1,0,0,1,0,0|1,0,0]=3 1723 B12R2.41 C1COc2c(OC1)cccc2 1P003IY0 [1,0,0,1,0,0|1,0,0]=3 1724 B12R2.41 C1CSc2c(CN1)cccc2 1P001M9X [1,0,0,1,0,0|1,1,0]=4 1725 B12R2.41 C1CSc2c(CN1)cccc2 1P00EJRG [1,0,0,1,0,0|1,1,0]=4 1726 B12R2.41 C1CSc2c(NC1)cccc2 1P00CJRH [1,0,0,1,0,0|1,1,0]=4 1727 B12R2.41 C1CSc2c(NC1)cccc2 1P01C56H [1,0,0,1,0,0|1,1,0]=4 1728 B12R2.41 C1NCc2c(CC1)cccc2 1P0025NW [1,0,0,1,0,0|1,0,0]=3 1729 B12R2.41 C1NCc2c(CC1)cccc2 1P003FUB [1,0,0,1,0,0|1,0,0]=3 1730 B12R2.41 N1CCc2c(CC1)cccc2 1P001ZMY [1,0,0,1,0,0|1,0,0]=3 1731 B12R2.41 N1CCc2c(CC1)cccc2 1P0072PZ [1,0,0,1,0,0|1,0,0]=3 1732 B12R2.41 N1CCc2c(CC1)cccn2 1P00HGF7 [1,0,0,1,0,0|2,0,0]=4 1733 B12R2.1081 CC1=NCCc2c1cccc2 1P002SQB [1,0,0,1,0,0|1,0,1]=4 1734 B12R2.1081 CC1=NCCc2c1cccc2 1P00BJJ1 [1,0,0,1,0,0|1,0,1]=4 1735 B12R2.1081 CC1CCNc2c1cccc2 1P0034K9 [1,0,0,1,0,0|1,0,0]=3 1736 B12R2.1081 CC1CCNc2c1cccc2 1P00FXDA [1,0,0,1,0,0|1,0,0]=3 1737 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZO [1,0,0,1,0,0|1,0,0]=3 1738 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZP [1,0,0,1,0,0|1,0,0]=3 1739 B12R2.1081 CC1NCCc2c1cccc2 1P003EXJ [1,0,0,1,0,0|1,0,0]=3 1740 B12R2.1081 CC1NCCc2c1cccc2 1P008ZIA [1,0,0,1,0,0|1,0,0]=3 1741 B12R2.1081 CC1NCCc2c1cccn2 1P024ZMQ [1,0,0,1,0,0|2,0,0]=4 1742 B12R2.1081 CC1NCCc2c1cncc2 1P01EIG8 [1,0,0,1,0,0|2,0,0]=4 1743 B12R2.1081 CN1CCCc2c1cccc2 1P00I9AM [1,0,0,1,0,0|1,0,0]=3 1744 B12R2.1081 CN1CCNc2c1cccc2 1P000R40 [1,0,0,1,0,0|2,0,0]=4 1745 B12R2.1081 CN1CCNc2c1cccc2 1P00CJBM [1,0,0,1,0,0|2,0,0]=4 1746 B12R2.1081 CN1CCOc2c1cccc2 1P0057CM [1,0,0,1,0,0|2,0,0]=4 1747 B12R2.1081 C[C@@H]1CNCc2c1cccc2 1P01DIHO [1,0,0,1,0,0|1,0,0]=3 1748 B12R2.1081 C[C@@H]1NCCc2c1cccc2 1P00EKIC [1,0,0,1,0,0|1,0,0]=3 1749 B12R2.1081 C[C@H]1CNCc2c1cccc2 1P00I7EK [1,0,0,1,0,0|1,0,0]=3 1750 B12R2.1081 C[C@H]1NCCc2c1cccc2 1P00G8PU [1,0,0,1,0,0|1,0,0]=3 1751 B12R2.1081 ClC1CCCc2c1cccc2 1P003ENQ [1,0,0,1,0,0|1,0,0]=3 1752 B12R2.1081 ClC1CCCc2c1cncc2 1P02856C [1,0,0,1,0,0|2,0,0]=4 1753 B12R2.1081 ClC1CCCc2c1nccc2 1P01BSPJ [1,0,0,1,0,0|2,0,0]=4 1754 B12R2.1081 ClC1CCOc2c1cccc2 1P01AGGD [1,0,0,1,0,0|2,0,0]=4 1755 B12R2.1081 NC1CCCc2c1cccc2 1P003DQN [1,0,0,1,0,0|1,0,0]=3 1756 B12R2.1081 NC1CCCc2c1cccc2 1P00D00F [1,0,0,1,0,0|1,0,0]=3 1757 B12R2.1081 NC1CCCc2c1cccn2 1P0092ZZ [1,0,0,1,0,0|2,0,0]=4 1758 B12R2.1081 NC1CCCc2c1cccn2 1P00FCBU [1,0,0,1,0,0|2,0,0]=4 1759 B12R2.1081 NC1CCCc2c1ccnc2 1P00DK9C [1,0,0,1,0,0|2,0,0]=4 1760 B12R2.1081 NC1CCCc2c1ccnc2 1P01JJ17 [1,0,0,1,0,0|2,0,0]=4 1761 B12R2.1081 NC1CCCc2c1nccc2 1P003NY3 [1,0,0,1,0,0|2,0,0]=4 1762 B12R2.1081 NC1CCCc2c1nccc2 1P00928G [1,0,0,1,0,0|2,0,0]=4 1763 B12R2.1081 NC1CCNc2c1cccc2 1P00G36C [1,0,0,1,0,0|2,0,0]=4 1764 B12R2.1081 NC1CCNc2c1cccc2 1P00G8MZ [1,0,0,1,0,0|2,0,0]=4 1765 B12R2.1081 NC1CCOc2c1cccc2 1P0037S6 [1,0,0,1,0,0|2,0,0]=4 1766 B12R2.1081 NC1CCOc2c1cccc2 1P003L7W [1,0,0,1,0,0|2,0,0]=4 1767 B12R2.1081 NC1CCSc2c1cccc2 1P00AMT3 [1,0,0,1,0,0|2,0,0]=4 1768 B12R2.1081 NC1COCc2c1cccc2 1P000HO8 [1,0,0,1,0,0|2,0,0]=4 1769 B12R2.1081 NC1COCc2c1cccc2 1P007KJZ [1,0,0,1,0,0|2,0,0]=4 1770 B12R2.1081 NC1CSCc2c1cccc2 1P019Y83 [1,0,0,1,0,0|2,0,0]=4 1771 B12R2.1081 NN1CCCc2c1cccc2 1P00ED9I [1,0,0,1,0,0|2,0,0]=4 1772 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P003CIU [1,0,0,1,0,0|1,0,0]=3 1773 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P00C7GV [1,0,0,1,0,0|1,0,0]=3 1774 B12R2.1081 N[C@@H]1CCCc2c1nccc2 1P007D0E [1,0,0,1,0,0|2,0,0]=4 1775 B12R2.1081 N[C@@H]1CCCc2c1nccc2 1P009KFR [1,0,0,1,0,0|2,0,0]=4 1776 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P002L9X [1,0,0,1,0,0|2,0,0]=4 1777 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P003CRS [1,0,0,1,0,0|2,0,0]=4 1778 B12R2.1081 N[C@@H]1COCc2c1cccc2 1P0289U3 [1,0,0,1,0,0|2,0,0]=4 1779 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P003CWB [1,0,0,1,0,0|1,0,0]=3 1780 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P00C09F [1,0,0,1,0,0|1,0,0]=3 1781 B12R2.1081 N[C@H]1CCCc2c1nccc2 1P007D0D [1,0,0,1,0,0|2,0,0]=4 1782 B12R2.1081 N[C@H]1CCCc2c1nccc2 1P00GUH3 [1,0,0,1,0,0|2,0,0]=4 1783 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P002H7Y [1,0,0,1,0,0|2,0,0]=4 1784 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P003D30 [1,0,0,1,0,0|2,0,0]=4 1785 B12R2.1081 N[C@H]1COCc2c1cccc2 1P028YF6 [1,0,0,1,0,0|2,0,0]=4 1786 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [1,0,0,1,0,0|0,0,2]=4 1787 B12R2.1081 OB1OCCc2c1cccc2 1P002G3J [1,0,0,1,0,0|2,0,0]=4 1788 B12R2.1081 OC1CCCc2c1cccc2 1P003DQM [1,0,0,1,0,0|0,0,0]=2 1789 B12R2.1081 OC1CCCc2c1cccn2 1P00ACUT [1,0,0,1,0,0|1,0,0]=3 1790 B12R2.1081 OC1CCCc2c1ccnc2 1P00IKDB [1,0,0,1,0,0|1,0,0]=3 1791 B12R2.1081 OC1CCCc2c1nccc2 1P001ED2 [1,0,0,1,0,0|1,0,0]=3 1792 B12R2.1081 OC1CCCc2c1nccn2 1P00CKZU [1,0,0,1,0,0|2,0,0]=4 1793 B12R2.1081 OC1CCNc2c1cccc2 1P00BHJL [1,0,0,1,0,0|1,0,0]=3 1794 B12R2.1081 OC1CCNc2c1cccn2 1P01EMV0 [1,0,0,1,0,0|2,0,0]=4 1795 B12R2.1081 OC1CCOc2c1cccc2 1P001FWV [1,0,0,1,0,0|1,0,0]=3 1796 B12R2.1081 OC1CCOc2c1ccnc2 1P028OST [1,0,0,1,0,0|2,0,0]=4 1797 B12R2.1081 OC1CCOc2c1nccc2 1P008QKW [1,0,0,1,0,0|2,0,0]=4 1798 B12R2.1081 OC1CCSc2c1cccc2 1P00BYVU [1,0,0,1,0,0|1,0,0]=3 1799 B12R2.1081 OC1CNCc2c1cccc2 1P009KHD [1,0,0,1,0,0|1,0,0]=3 1800 B12R2.1081 OC1COCc2c1cccc2 1P002KKW [1,0,0,1,0,0|1,0,0]=3 1801 B12R2.1081 OC1CSCc2c1cccc2 1P01A8OU [1,0,0,1,0,0|1,0,0]=3 1802 B12R2.1081 O[C@@H]1CCCc2c1cccc2 1P002NEW [1,0,0,1,0,0|0,0,0]=2 1803 B12R2.1081 O[C@@H]1CCCc2c1nccc2 1P00DKAT [1,0,0,1,0,0|1,0,0]=3 1804 B12R2.1081 O[C@@H]1CCOc2c1cccc2 1P009980 [1,0,0,1,0,0|1,0,0]=3 1805 B12R2.1081 O[C@@H]1CCSc2c1cccc2 1P019ROC [1,0,0,1,0,0|1,0,0]=3 1806 B12R2.1081 O[C@H]1CCCc2c1cccc2 1P003CWA [1,0,0,1,0,0|0,0,0]=2 1807 B12R2.1081 O[C@H]1CCCc2c1nccc2 1P00DJPW [1,0,0,1,0,0|1,0,0]=3 1808 B12R2.1081 O[C@H]1CCOc2c1cccc2 1P0011AH [1,0,0,1,0,0|1,0,0]=3 1809 B12R2.1081 O[C@H]1CCSc2c1cccc2 1P007O09 [1,0,0,1,0,0|1,0,0]=3 1810 B12R2.1081 SC1CCCc2c1cccc2 1P0086BH [1,0,0,1,0,0|0,1,0]=3 1811 B12R2.1081 SC1CCOc2c1cccc2 1P019Y5B [1,0,0,1,0,0|1,1,0]=4 1812 B12R2.2057 C(C1OC1)Cc2ccccc2 1P01A7CT [1,0,0,1,0,0|0,0,0]=2 1813 B12R2.2057 C1CC1CNc2ccccc2 1P00I7MW [1,0,0,1,0,0|1,0,0]=3 1814 B12R2.2057 N(C1CC1)Cc2ccccc2 1P0014WU [1,0,0,1,0,0|1,0,0]=3 1815 B12R2.2057 N(C1CC1)Cc2ccccc2 1P00CMB2 [1,0,0,1,0,0|1,0,0]=3 1816 B12R2.2057 N(C1CC1)Cc2ccncc2 1P00ADJF [1,0,0,1,0,0|2,0,0]=4 1817 B12R2.2057 O1CC1COc2ccccc2 1P0035FN [1,0,0,1,0,0|1,0,0]=3 1818 B12R2.2057 O1CC1CSc2ccccc2 1P00DGA9 [1,0,0,1,0,0|1,0,0]=3 1819 B12R2.2057 O1C[C@@H]1COc2ccccc2 1P003CRZ [1,0,0,1,0,0|1,0,0]=3 1820 B12R2.2057 c1ccc(cn1)CNC2CC2 1P00287L [1,0,0,1,0,0|2,0,0]=4 1821 B12R2.2057 c1ccc(cn1)CNC2CC2 1P00J28T [1,0,0,1,0,0|2,0,0]=4 1822 B12R2.2057 c1ccc(cn1)NCC2CC2 1P01A1FO [1,0,0,1,0,0|2,0,0]=4 1823 B12R2.2057 c1ccc(nc1)CNC2CC2 1P00EEI6 [1,0,0,1,0,0|2,0,0]=4 1824 B12R2.2057 c1ccc(nc1)NCC2CC2 1P027Y1Z [1,0,0,1,0,0|2,0,0]=4 1825 B12R2.2058 C1CC(C1)Nc2ccccc2 1P019F77 [1,0,0,1,0,0|1,0,0]=3 1826 B12R2.2058 C1CC(C1)Nc2ccccn2 1P028VS6 [1,0,0,1,0,0|2,0,0]=4 1827 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [1,0,0,1,0,0|1,0,0]=3 1828 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [1,0,0,1,0,0|1,0,0]=3 1829 B12R2.2058 N1CC(C1)Cc2ccccn2 1P01ASP2 [1,0,0,1,0,0|2,0,0]=4 1830 B12R2.2058 N1CC(C1)Cc2cccnc2 1P01ASP1 [1,0,0,1,0,0|2,0,0]=4 1831 B12R2.2058 N1CC(C1)Cc2ccncc2 1P01ASP7 [1,0,0,1,0,0|2,0,0]=4 1832 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01BKLV [1,0,0,1,0,0|2,0,0]=4 1833 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01EKI0 [1,0,0,1,0,0|2,0,0]=4 1834 B12R2.2058 N1CC(C1)Oc2ccccc2 1P0038WI [1,0,0,1,0,0|2,0,0]=4 1835 B12R2.2058 N1CC(C1)Oc2ccccc2 1P00C2MF [1,0,0,1,0,0|2,0,0]=4 1836 B12R2.2058 N1CC(C1)Sc2ccccc2 1P01ATIC [1,0,0,1,0,0|2,0,0]=4 1837 B12R2.2058 O1CC(C1)Nc2ccccc2 1P01C1VA [1,0,0,1,0,0|2,0,0]=4 1838 B12R2.10 O[C@@H]1CCC[C@H]1n2cccn2 1P01EBQX [0,0,0,1,1,0|2,0,0]=4 1839 B12R2.98 C1CNC(C1)Cc2cccs2 1P01A8Q3 [0,0,0,1,1,0|2,0,0]=4 1840 B12R2.98 C1CN[C@@H](C1)Cc2cccs2 1P01FK1T [0,0,0,1,1,0|2,0,0]=4 1841 B12R2.98 C1CN[C@H](C1)Cc2cccs2 1P01DX3L [0,0,0,1,1,0|2,0,0]=4 1842 B12R2.315 OCC1CCCc2c1cn[nH]2 1P0283R4 [0,0,0,1,1,0|2,0,0]=4 1843 B12R2.315 OCC1CCCc2c1ncs2 1P01QIQN [0,0,0,1,1,0|2,0,0]=4 1844 B12R2.315 OCC1CCCc2n1ccn2 1P01DW8H [0,0,0,1,1,0|2,0,0]=4 1845 B12R2.315 OCC1CCCn2c1ncc2 1P028UCX [0,0,0,1,1,0|2,0,0]=4 1846 B12R2.2383 O(Cc1ccco1)CC2CO2 1P00DE8X [0,0,0,1,1,0|2,0,0]=4 1847 B12R2.2383 O(Cc1cccs1)CC2CO2 1P00G4B6 [0,0,0,1,1,0|2,0,0]=4 1848 B14R2.21 BrC1CCOC(C1)c2cccnc2 1P01C2MH [0,1,0,1,0,0|1,0,0]=3 1849 B14R2.21 Brc1cccc(c1)C2CCCCC2 1P002CG8 [0,1,0,1,0,0|1,0,0]=3 1850 B14R2.21 Brc1cccc(c1)C2CCCCN2 1P00BZ4H [0,1,0,1,0,0|1,0,0]=3 1851 B14R2.21 Brc1cccc(c1)C2CCNCC2 1P000HSF [0,1,0,1,0,0|2,0,0]=4 1852 B14R2.21 Brc1cccc(c1)C2CCNCC2 1P00BZEF [0,1,0,1,0,0|2,0,0]=4 1853 B14R2.21 Brc1cccc(c1)C2CCOCC2 1P01BZX5 [0,1,0,1,0,0|2,0,0]=4 1854 B14R2.21 Brc1cccc(c1)C2CNCCO2 1P01A8U4 [0,1,0,1,0,0|1,0,0]=3 1855 B14R2.21 Brc1cccc(c1)C2COCCN2 1P01B6MJ [0,1,0,1,0,0|2,0,0]=4 1856 B14R2.21 Brc1cccc(c1)C2COCCN2 1P01B6MK [0,1,0,1,0,0|2,0,0]=4 1857 B14R2.21 Brc1cccc(c1)C2OCCCO2 1P0061UL [0,1,0,1,0,0|1,0,0]=3 1858 B14R2.21 Brc1cccc(c1)N2CCCCC2 1P008HZT [0,1,0,1,0,0|2,0,0]=4 1859 B14R2.21 Brc1cccc(c1)N2CCCCC2 1P027Z0A [0,1,0,1,0,0|2,0,0]=4 1860 B14R2.21 Brc1cccc(c1)[C@@H]2CCCCN2 1P01XCH1 [0,1,0,1,0,0|1,0,0]=3 1861 B14R2.21 Brc1cccc(c1)[C@H]2CCCCN2 1P01XDPG [0,1,0,1,0,0|1,0,0]=3 1862 B14R2.21 Brc1cncc(c1)C2CCCCN2 1P00I46F [0,1,0,1,0,0|2,0,0]=4 1863 B14R2.21 CC1CCCC(N1)c2ccccc2 1P019Z2O [0,1,0,1,0,0|1,0,0]=3 1864 B14R2.21 CC1CCOC(C1)c2ccccc2 1P0066PG [0,1,0,1,0,0|0,0,0]=2 1865 B14R2.21 CC1CNCC(C1)c2ccccc2 1P01C26E [0,1,0,1,0,0|2,0,0]=4 1866 B14R2.21 CC1CNCC(O1)c2ccccc2 1P00VU8F [0,1,0,1,0,0|1,0,0]=3 1867 B14R2.21 CC1NCCC(C1)c2ccccc2 1P01B8DT [0,1,0,1,0,0|2,0,0]=4 1868 B14R2.21 CN1CCNC(C1)c2ccccc2 1P00339L [0,1,0,1,0,0|2,0,0]=4 1869 B14R2.21 C[C@@H]1CNC[C@@H](C1)c2ccccc2 1P027XCS [0,1,0,1,0,0|2,0,0]=4 1870 B14R2.21 C[C@@H]1CNC[C@@H](N1)c2ccccc2 1P0293LS [0,1,0,1,0,0|2,0,0]=4 1871 B14R2.21 C[C@@H]1CNC[C@@H](O1)c2ccccc2 1P021XS2 [0,1,0,1,0,0|1,0,0]=3 1872 B14R2.21 C[C@@H]1CNC[C@H](C1)c2ccccc2 1P0280LC [0,1,0,1,0,0|2,0,0]=4 1873 B14R2.21 C[C@@H]1COC[C@H](N1)c2ccccc2 1P028AQZ [0,1,0,1,0,0|2,0,0]=4 1874 B14R2.21 C[C@H]1COC[C@H](N1)c2ccccc2 1P028DM9 [0,1,0,1,0,0|2,0,0]=4 1875 B14R2.21 Cc1cccc(c1)C2CCCCN2 1P027PA2 [0,1,0,1,0,0|1,0,0]=3 1876 B14R2.21 Cc1cccc(c1)C2CCCNC2 1P008V3R [0,1,0,1,0,0|2,0,0]=4 1877 B14R2.21 Cc1cccc(c1)C2CCNCC2 1P008RN6 [0,1,0,1,0,0|2,0,0]=4 1878 B14R2.21 Cc1cccc(c1)C2CCNCC2 1P00G4KL [0,1,0,1,0,0|2,0,0]=4 1879 B14R2.21 Cc1cccc(c1)C2CNCCN2 1P008P9N [0,1,0,1,0,0|2,0,0]=4 1880 B14R2.21 Cc1cccc(c1)C2COCCN2 1P0280BG [0,1,0,1,0,0|2,0,0]=4 1881 B14R2.21 Cc1ccnc(c1)C2CCCCC2 1P01BF3A [0,1,0,1,0,0|2,0,0]=4 1882 B14R2.21 Cc1nccc(c1)C2CNCCO2 1P01QUKG [0,1,0,1,0,0|2,0,0]=4 1883 B14R2.21 Clc1cccc(c1)C2CCCCN2 1P00I80G [0,1,0,1,0,0|1,0,0]=3 1884 B14R2.21 Clc1cccc(c1)C2CCNCC2 1P005T77 [0,1,0,1,0,0|2,0,0]=4 1885 B14R2.21 Clc1cccc(c1)C2CCNCC2 1P00IKQ8 [0,1,0,1,0,0|2,0,0]=4 1886 B14R2.21 Clc1cccc(c1)C2CNCCN2 1P00D8Q9 [0,1,0,1,0,0|2,0,0]=4 1887 B14R2.21 Clc1cccc(c1)C2CNCCO2 1P00F50I [0,1,0,1,0,0|1,0,0]=3 1888 B14R2.21 Clc1cccc(c1)C2COCCN2 1P0096DW [0,1,0,1,0,0|2,0,0]=4 1889 B14R2.21 Clc1cccc(c1)C2COCCN2 1P01FKNQ [0,1,0,1,0,0|2,0,0]=4 1890 B14R2.21 Fc1cccc(c1)C2CCCCN2 1P00BZ4R [0,1,0,1,0,0|1,0,0]=3 1891 B14R2.21 Fc1cccc(c1)C2CCCCN2 1P028J7R [0,1,0,1,0,0|1,0,0]=3 1892 B14R2.21 Fc1cccc(c1)C2CCCNC2 1P00CN6C [0,1,0,1,0,0|2,0,0]=4 1893 B14R2.21 Fc1cccc(c1)C2CCNCC2 1P00865T [0,1,0,1,0,0|2,0,0]=4 1894 B14R2.21 Fc1cccc(c1)C2CCNCC2 1P008SNY [0,1,0,1,0,0|2,0,0]=4 1895 B14R2.21 Fc1cccc(c1)C2CNCCN2 1P00146E [0,1,0,1,0,0|2,0,0]=4 1896 B14R2.21 Fc1cccc(c1)C2CNCCO2 1P01AADM [0,1,0,1,0,0|1,0,0]=3 1897 B14R2.21 Fc1cccc(c1)C2COCCN2 1P01B6L9 [0,1,0,1,0,0|2,0,0]=4 1898 B14R2.21 Ic1cccc(c1)C2CCCCC2 1P0286L9 [0,1,0,1,0,0|1,0,0]=3 1899 B14R2.21 Ic1cccc(c1)N2CCCCC2 1P00G9KL [0,1,0,1,0,0|2,0,0]=4 1900 B14R2.21 NC1CCCC(C1)c2ccccc2 1P0022EN [0,1,0,1,0,0|1,0,0]=3 1901 B14R2.21 NC1CCCC(C1)c2ccccc2 1P00BI75 [0,1,0,1,0,0|1,0,0]=3 1902 B14R2.21 NC1CCCN(C1)c2ccccc2 1P00F72J [0,1,0,1,0,0|2,0,0]=4 1903 B14R2.21 NC1CCOC(C1)c2ccccc2 1P01ACKP [0,1,0,1,0,0|0,0,0]=2 1904 B14R2.21 NC1CCOC(C1)c2cccnc2 1P01ANAS [0,1,0,1,0,0|1,0,0]=3 1905 B14R2.21 NC1CCOC(C1)c2ccncc2 1P01AV3P [0,1,0,1,0,0|1,0,0]=3 1906 B14R2.21 NC1CNCC(C1)c2ccccc2 1P0291KT [0,1,0,1,0,0|2,0,0]=4 1907 B14R2.21 N[C@@H]1CCO[C@H](C1)c2cccnc2 1P01C5AO [0,1,0,1,0,0|1,0,0]=3 1908 B14R2.21 Nc1cccc(c1)B2OCCCO2 1P002LF4 [0,1,0,1,0,0|2,0,0]=4 1909 B14R2.21 Nc1cccc(c1)C2CCCCC2 1P00DSL3 [0,1,0,1,0,0|1,0,0]=3 1910 B14R2.21 Nc1cccc(c1)C2CCOCC2 1P01BWBE [0,1,0,1,0,0|2,0,0]=4 1911 B14R2.21 Nc1cccc(c1)C2SCCCS2 1P019ON0 [0,1,0,1,0,0|1,1,0]=4 1912 B14R2.21 Nc1cccc(c1)N2CCCCC2 1P00I5Q1 [0,1,0,1,0,0|2,0,0]=4 1913 B14R2.21 O=C1CCCC(C1)c2ccccc2 1P002JUC [0,1,0,1,0,0|0,0,2]=4 1914 B14R2.21 O=C1CCCC(N1)c2ccccc2 1P00CLAT [0,1,0,1,0,0|0,0,2]=4 1915 B14R2.21 O=C1CCCC(O1)c2ccccc2 1P02010V [0,1,0,1,0,0|0,0,1]=3 1916 B14R2.21 O=C1CCC[C@@H](C1)c2ccccc2 1P00EE87 [0,1,0,1,0,0|0,0,2]=4 1917 B14R2.21 O=C1CCC[C@H](C1)c2ccccc2 1P00C8RB [0,1,0,1,0,0|0,0,2]=4 1918 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P000MS7 [0,1,0,1,0,0|1,0,1]=4 1919 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P007RGW [0,1,0,1,0,0|1,0,1]=4 1920 B14R2.21 O=C1CCOC(C1)c2ccccc2 1P001FJW [0,1,0,1,0,0|0,0,1]=3 1921 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P01AJJY [0,1,0,1,0,0|2,0,0]=4 1922 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P027YK9 [0,1,0,1,0,0|2,0,0]=4 1923 B14R2.21 OC1CCCC(=C1)c2ccccc2 1P01C7SS [0,1,0,1,0,0|0,0,1]=3 1924 B14R2.21 OC1CCCC(C1)c2ccccc2 1P00E42S [0,1,0,1,0,0|0,0,0]=2 1925 B14R2.21 OC1CCCN(C1)c2ccccc2 1P00371V [0,1,0,1,0,0|1,0,0]=3 1926 B14R2.21 OC1CCCN(C1)c2ccccn2 1P00H1WA [0,1,0,1,0,0|2,0,0]=4 1927 B14R2.21 OC1CCOC(C1)c2ccccc2 1P0010QV [0,1,0,1,0,0|0,0,0]=2 1928 B14R2.21 O[C@H]1CCO[C@H](C1)c2ccccc2 1P01BCPZ [0,1,0,1,0,0|0,0,0]=2 1929 B14R2.21 Oc1cccc(c1)B2OCCCO2 1P01XD3F [0,1,0,1,0,0|2,0,0]=4 1930 B14R2.21 Oc1cccc(c1)C2CCCCC2 1P00ABO5 [0,1,0,1,0,0|1,0,0]=3 1931 B14R2.21 Oc1cccc(c1)C2CCCCN2 1P01DZNY [0,1,0,1,0,0|1,0,0]=3 1932 B14R2.21 Oc1cccc(c1)C2CCNCC2 1P00136P [0,1,0,1,0,0|2,0,0]=4 1933 B14R2.21 Oc1cccc(c1)C2CCNCC2 1P007CIO [0,1,0,1,0,0|2,0,0]=4 1934 B14R2.21 Oc1cccc(c1)C2CCOCC2 1P01BVFM [0,1,0,1,0,0|2,0,0]=4 1935 B14R2.21 Oc1cccc(c1)C2COCCN2 1P027VVA [0,1,0,1,0,0|2,0,0]=4 1936 B14R2.21 Oc1cccc(c1)N2CCCCC2 1P00BGJS [0,1,0,1,0,0|2,0,0]=4 1937 B14R2.269 CC1CCNC1c2cccc(c2)F 1P019TR8 [0,1,0,1,0,0|2,0,0]=4 1938 B14R2.269 CC1CCNC1c2cccc(c2)F 1P027VM8 [0,1,0,1,0,0|2,0,0]=4 1939 B14R2.269 OC1CCCC1c2cccc(c2)Cl 1P01AJAW [0,1,0,1,0,0|0,0,0]=2 1940 B14R2.269 O[C@@H]1CCN[C@@H]1c2cccc(c2)Br 1P028YS4 [0,1,0,1,0,0|1,0,0]=3 1941 B14R2.269 O[C@@H]1CCN[C@@H]1c2cccc(c2)F 1P028Z6O [0,1,0,1,0,0|1,0,0]=3 1942 B14R2.269 O[C@@H]1CNC[C@H]1c2cccc(c2)F 1P027X01 [0,1,0,1,0,0|1,0,0]=3 1943 B14R2.716 Brc1cccc(c1)CC2CCCN2 1P01C3Y5 [0,1,0,1,0,0|1,0,0]=3 1944 B14R2.716 Brc1cccc(c1)CC2CNCC2 1P0287NV [0,1,0,1,0,0|2,0,0]=4 1945 B14R2.716 Brc1cccc(c1)CN2CCCC2 1P001YS6 [0,1,0,1,0,0|2,0,0]=4 1946 B14R2.716 Brc1cccc(c1)CN2CCCC2 1P00J4H3 [0,1,0,1,0,0|2,0,0]=4 1947 B14R2.716 Brc1cccc(c1)OC2CCCC2 1P00AOET [0,1,0,1,0,0|2,0,0]=4 1948 B14R2.716 Clc1cccc(c1)CC2CNCC2 1P000HH9 [0,1,0,1,0,0|2,0,0]=4 1949 B14R2.716 Clc1cccc(c1)CC2CNCC2 1P02123V [0,1,0,1,0,0|2,0,0]=4 1950 B14R2.716 Fc1cccc(c1)CC2CCCN2 1P019VM2 [0,1,0,1,0,0|1,0,0]=3 1951 B14R2.716 Fc1cccc(c1)CC2CCCN2 1P01A7S6 [0,1,0,1,0,0|1,0,0]=3 1952 B14R2.716 Fc1cccc(c1)CC2CNCC2 1P0000RI [0,1,0,1,0,0|2,0,0]=4 1953 B14R2.716 Fc1cccc(c1)NC2CCCC2 1P01A01S [0,1,0,1,0,0|2,0,0]=4 1954 B14R2.716 Ic1cccc(c1)CC2CNCC2 1P01ANTW [0,1,0,1,0,0|2,0,0]=4 1955 B14R2.716 Nc1cccc(c1)CN2CCCC2 1P0027Z8 [0,1,0,1,0,0|2,0,0]=4 1956 B14R2.716 Nc1cccc(c1)CN2CCCC2 1P00J1RF [0,1,0,1,0,0|2,0,0]=4 1957 B14R2.716 Nc1cccc(c1)NC2CCCC2 1P01AHB7 [0,1,0,1,0,0|2,0,0]=4 1958 B14R2.716 Nc1cccc(c1)OC2CCCC2 1P00EETX [0,1,0,1,0,0|2,0,0]=4 1959 B14R2.716 Nc1cccc(c1)OC2CCCC2 1P019LSM [0,1,0,1,0,0|2,0,0]=4 1960 B14R2.716 Oc1cccc(c1)CC2CNCC2 1P028SIU [0,1,0,1,0,0|2,0,0]=4 1961 B14R2.1073 CCN1CCCc2c1ccc(c2)F 1P01FSNM [0,1,0,1,0,0|2,0,0]=4 1962 B14R2.1073 CCN1CCCc2c1ccc(c2)N 1P02895V [0,1,0,1,0,0|2,0,0]=4 1963 B14R2.1073 CNC1CCCc2c1ccc(c2)F 1P01A4SY [0,1,0,1,0,0|2,0,0]=4 1964 B14R2.1073 OCC1CCNc2c1ccc(c2)F 1P01B2VA [0,1,0,1,0,0|1,0,0]=3 1965 B14R2.4475 Fc1cccc(c1)CNC2CCC2 1P01B0NI [0,1,0,1,0,0|2,0,0]=4 1966 B14R2.8719 Brc1ccc2c(c1)CCCCC2=O 1P001Z0C [0,1,0,1,0,0|0,0,2]=4 1967 B14R2.8719 Brc1ccc2c(c1)CCCCC2N 1P01B7AB [0,1,0,1,0,0|1,0,0]=3 1968 B14R2.8719 Brc1ccc2c(c1)CCCCC2O 1P01EMXU [0,1,0,1,0,0|0,0,0]=2 1969 B14R2.8719 Brc1ccc2c(c1)OCCCC2N 1P0096S9 [0,1,0,1,0,0|2,0,0]=4 1970 B14R2.8719 Brc1ccc2c(c1)OCCCC2O 1P01A009 [0,1,0,1,0,0|1,0,0]=3 1971 B14R2.8719 Clc1ccc2c(c1)CCCCC2=O 1P00C3UK [0,1,0,1,0,0|0,0,2]=4 1972 B14R2.8719 Clc1ccc2c(c1)OCCCC2N 1P01A55S [0,1,0,1,0,0|2,0,0]=4 1973 B14R2.8719 Fc1ccc2c(c1)OCCCC2N 1P01A5DT [0,1,0,1,0,0|2,0,0]=4 1974 B14R2.8719 Nc1ccc2c(c1)CCCCC2=O 1P00CM2N [0,1,0,1,0,0|0,0,2]=4 1975 B14R2.8719 Nc1ccc2c(c1)CCCCN2C 1P0293J3 [0,1,0,1,0,0|2,0,0]=4 1976 B14R2.8864 O=C1CCCCc2c1c(F)ccc2 1P028MTU [0,1,0,1,0,0|0,0,2]=4 1977 B14R2.9061 Brc1cccc(c1)CNCC2CC2 1P0006I8 [0,1,0,1,0,0|2,0,0]=4 1978 B14R2.9061 Fc1cccc(c1)CCNC2CC2 1P01AIOR [0,1,0,1,0,0|2,0,0]=4 1979 B14R2.9061 Nc1cccc(c1)COCC2CC2 1P019YAY [0,1,0,1,0,0|2,0,0]=4 1980 B14R2.9061 Oc1cccc(c1)CNCC2CC2 1P01A8PL [0,1,0,1,0,0|2,0,0]=4 1981 B14R2.43 CNC[C@@H]1C[C@H]1c2ccc(cc2)C 1P028J2P [0,1,0,1,0,0|2,0,0]=4 1982 B14R2.68 BrC1CCC(CC1)c2ccccc2 1P019VFG [0,1,0,1,0,0|1,0,0]=3 1983 B14R2.68 Br[C@@H]1CC[C@@H](CC1)c2ccccc2 1P01BIF0 [0,1,0,1,0,0|1,0,0]=3 1984 B14R2.68 Brc1ccc(cc1)C2=CCCCC2 1P00HZ2A [0,1,0,1,0,0|1,0,1]=4 1985 B14R2.68 Brc1ccc(cc1)C2CCCCC2 1P002QYJ [0,1,0,1,0,0|1,0,0]=3 1986 B14R2.68 Brc1ccc(cc1)C2CCCCN2 1P00BZ2Q [0,1,0,1,0,0|1,0,0]=3 1987 B14R2.68 Brc1ccc(cc1)C2CCCNC2 1P0092X4 [0,1,0,1,0,0|2,0,0]=4 1988 B14R2.68 Brc1ccc(cc1)C2CCNCC2 1P0036NS [0,1,0,1,0,0|2,0,0]=4 1989 B14R2.68 Brc1ccc(cc1)C2CCNCC2 1P00G60Y [0,1,0,1,0,0|2,0,0]=4 1990 B14R2.68 Brc1ccc(cc1)C2CCOCC2 1P003KJD [0,1,0,1,0,0|2,0,0]=4 1991 B14R2.68 Brc1ccc(cc1)C2NCCNC2 1P0039GH [0,1,0,1,0,0|2,0,0]=4 1992 B14R2.68 Brc1ccc(cc1)C2NCCOC2 1P009ZYV [0,1,0,1,0,0|2,0,0]=4 1993 B14R2.68 Brc1ccc(cc1)C2NCCOC2 1P01B5RI [0,1,0,1,0,0|2,0,0]=4 1994 B14R2.68 Brc1ccc(cc1)C2OCCCO2 1P00EFZV [0,1,0,1,0,0|1,0,0]=3 1995 B14R2.68 Brc1ccc(cc1)C2OCCNC2 1P00G4I3 [0,1,0,1,0,0|1,0,0]=3 1996 B14R2.68 Brc1ccc(cc1)N2CCCCC2 1P007PRU [0,1,0,1,0,0|2,0,0]=4 1997 B14R2.68 Brc1ccc(cc1)[C@@H]2CCCCN2 1P009GL6 [0,1,0,1,0,0|1,0,0]=3 1998 B14R2.68 Brc1ccc(cc1)[C@@H]2CCCCN2 1P01XCGW [0,1,0,1,0,0|1,0,0]=3 1999 B14R2.68 Brc1ccc(cc1)[C@@H]2CCCNC2 1P00A1ZH [0,1,0,1,0,0|2,0,0]=4 2000 B14R2.68 Brc1ccc(cc1)[C@@H]2CCCNC2 1P024HUM [0,1,0,1,0,0|2,0,0]=4 2001 B14R2.68 Brc1ccc(cc1)[C@@H]2OCCNC2 1P01XACN [0,1,0,1,0,0|1,0,0]=3 2002 B14R2.68 Brc1ccc(cc1)[C@H]2CCCCN2 1P009ZRP [0,1,0,1,0,0|1,0,0]=3 2003 B14R2.68 Brc1ccc(cc1)[C@H]2CCCCN2 1P01KL3X [0,1,0,1,0,0|1,0,0]=3 2004 B14R2.68 Brc1ccc(cc1)[C@H]2CCCNC2 1P00A1ZI [0,1,0,1,0,0|2,0,0]=4 2005 B14R2.68 Brc1ccc(cc1)[C@H]2OCCNC2 1P024TRZ [0,1,0,1,0,0|1,0,0]=3 2006 B14R2.68 Brc1ccc(cn1)C2CCCCN2 1P0282XL [0,1,0,1,0,0|2,0,0]=4 2007 B14R2.68 Brc1ccc(nc1)C2CCCCN2 1P009ZZ7 [0,1,0,1,0,0|2,0,0]=4 2008 B14R2.68 CC1CCC(CC1)c2ccccc2 1P001SAZ [0,1,0,1,0,0|1,0,0]=3 2009 B14R2.68 CC1CCC(CN1)c2ccccc2 1P0291IS [0,1,0,1,0,0|2,0,0]=4 2010 B14R2.68 CC1NCC(NC1)c2ccccc2 1P028B6Q [0,1,0,1,0,0|2,0,0]=4 2011 B14R2.68 CC1OCC(NC1)c2ccccc2 1P009KDT [0,1,0,1,0,0|2,0,0]=4 2012 B14R2.68 CN1CCC(CC1)c2ccccc2 1P005BQR [0,1,0,1,0,0|2,0,0]=4 2013 B14R2.68 CN1CCC(CC1)c2ccccc2 1P01ER2Q [0,1,0,1,0,0|2,0,0]=4 2014 B14R2.68 C[C@@H]1OC[C@@H](NC1)c2ccccc2 1P00I1MF [0,1,0,1,0,0|2,0,0]=4 2015 B14R2.68 C[C@H]1OC[C@H](NC1)c2ccccc2 1P021YDT [0,1,0,1,0,0|2,0,0]=4 2016 B14R2.68 Cc1ccc(cc1)B2OCCCO2 1P00DAVM [0,1,0,1,0,0|2,0,0]=4 2017 B14R2.68 Cc1ccc(cc1)C2CCCCC2 1P003BC5 [0,1,0,1,0,0|1,0,0]=3 2018 B14R2.68 Cc1ccc(cc1)C2CCCCN2 1P004MJT [0,1,0,1,0,0|1,0,0]=3 2019 B14R2.68 Cc1ccc(cc1)C2CCNCC2 1P003AGT [0,1,0,1,0,0|2,0,0]=4 2020 B14R2.68 Cc1ccc(cc1)C2CCNCC2 1P00G2I6 [0,1,0,1,0,0|2,0,0]=4 2021 B14R2.68 Cc1ccc(cc1)C2NCCNC2 1P01KL6C [0,1,0,1,0,0|2,0,0]=4 2022 B14R2.68 Cc1ccc(cc1)C2NCCSC2 1P01AJG4 [0,1,0,1,0,0|2,0,0]=4 2023 B14R2.68 Cc1ccc(cc1)C2OCCNC2 1P00FI02 [0,1,0,1,0,0|1,0,0]=3 2024 B14R2.68 Cc1ccc(cc1)C2SCCCS2 1P01I6DA [0,1,0,1,0,0|1,1,0]=4 2025 B14R2.68 Cc1ccc(cc1)[C@@H]2NCCOC2 1P009ZOQ [0,1,0,1,0,0|2,0,0]=4 2026 B14R2.68 Cc1ccc(cc1)[C@@H]2NCCOC2 1P01DTYM [0,1,0,1,0,0|2,0,0]=4 2027 B14R2.68 Cc1ccc(cn1)C2CNCCO2 1P027WLA [0,1,0,1,0,0|2,0,0]=4 2028 B14R2.68 Clc1ccc(cc1)B2OCCCO2 1P00BXZI [0,1,0,1,0,0|2,0,0]=4 2029 B14R2.68 Clc1ccc(cc1)C2CCCCN2 1P0096QG [0,1,0,1,0,0|1,0,0]=3 2030 B14R2.68 Clc1ccc(cc1)C2CCCCN2 1P01AV4G [0,1,0,1,0,0|1,0,0]=3 2031 B14R2.68 Clc1ccc(cc1)C2CCCNC2 1P00DDNA [0,1,0,1,0,0|2,0,0]=4 2032 B14R2.68 Clc1ccc(cc1)C2CCNCC2 1P00FBCP [0,1,0,1,0,0|2,0,0]=4 2033 B14R2.68 Clc1ccc(cc1)C2CCNCC2 1P00I5JY [0,1,0,1,0,0|2,0,0]=4 2034 B14R2.68 Clc1ccc(cc1)C2NCCNC2 1P00HF1W [0,1,0,1,0,0|2,0,0]=4 2035 B14R2.68 Clc1ccc(cc1)C2NCCOC2 1P0096NM [0,1,0,1,0,0|2,0,0]=4 2036 B14R2.68 Clc1ccc(cc1)C2NCCSC2 1P01AJD8 [0,1,0,1,0,0|2,0,0]=4 2037 B14R2.68 Clc1ccc(cc1)C2OCCNC2 1P00VT0Q [0,1,0,1,0,0|1,0,0]=3 2038 B14R2.68 Clc1ccc(cc1)C2OCCNC2 1P01B533 [0,1,0,1,0,0|1,0,0]=3 2039 B14R2.68 Clc1ccc(cc1)C2SCCCS2 1P01OSUS [0,1,0,1,0,0|1,1,0]=4 2040 B14R2.68 Clc1ccc(cc1)[C@@H]2CCCCN2 1P009GIV [0,1,0,1,0,0|1,0,0]=3 2041 B14R2.68 Clc1ccc(cc1)[C@@H]2CCCCN2 1P00IXZL [0,1,0,1,0,0|1,0,0]=3 2042 B14R2.68 Clc1ccc(cc1)[C@@H]2CCCNC2 1P00A1ZL [0,1,0,1,0,0|2,0,0]=4 2043 B14R2.68 Clc1ccc(cc1)[C@@H]2NCCNC2 1P028J2T [0,1,0,1,0,0|2,0,0]=4 2044 B14R2.68 Clc1ccc(cc1)[C@@H]2OCCNC2 1P01AN4R [0,1,0,1,0,0|1,0,0]=3 2045 B14R2.68 Clc1ccc(cc1)[C@H]2CCCCN2 1P01KLIM [0,1,0,1,0,0|1,0,0]=3 2046 B14R2.68 Clc1ccc(cc1)[C@H]2CCCNC2 1P00A1ZM [0,1,0,1,0,0|2,0,0]=4 2047 B14R2.68 Clc1ccc(cc1)[C@H]2NCCNC2 1P024ULS [0,1,0,1,0,0|2,0,0]=4 2048 B14R2.68 Clc1ccc(cc1)[C@H]2OCCNC2 1P01ANBN [0,1,0,1,0,0|1,0,0]=3 2049 B14R2.68 Clc1ccc(cc1)[C@H]2OCCNC2 1P01ANBO [0,1,0,1,0,0|1,0,0]=3 2050 B14R2.68 Clc1ccc(cn1)C2CCCCN2 1P028RO4 [0,1,0,1,0,0|2,0,0]=4 2051 B14R2.68 Clc1ccc(cn1)[C@@H]2CCCCN2 1P0096R6 [0,1,0,1,0,0|2,0,0]=4 2052 B14R2.68 Clc1ccc(cn1)[C@@H]2CCCCN2 1P024HR1 [0,1,0,1,0,0|2,0,0]=4 2053 B14R2.68 Clc1ccc(cn1)[C@H]2CCCCN2 1P0096R4 [0,1,0,1,0,0|2,0,0]=4 2054 B14R2.68 Clc1ccc(cn1)[C@H]2CCCCN2 1P024HBQ [0,1,0,1,0,0|2,0,0]=4 2055 B14R2.68 Clc1ccc(nc1)C2CNCCO2 1P028Z7W [0,1,0,1,0,0|2,0,0]=4 2056 B14R2.68 Fc1ccc(cc1)B2OCCCO2 1P01XD3O [0,1,0,1,0,0|2,0,0]=4 2057 B14R2.68 Fc1ccc(cc1)C2CCCCN2 1P00BZ3O [0,1,0,1,0,0|1,0,0]=3 2058 B14R2.68 Fc1ccc(cc1)C2CCCCN2 1P00HF6F [0,1,0,1,0,0|1,0,0]=3 2059 B14R2.68 Fc1ccc(cc1)C2CCCNC2 1P008S5Z [0,1,0,1,0,0|2,0,0]=4 2060 B14R2.68 Fc1ccc(cc1)C2CCCNC2 1P00FB1P [0,1,0,1,0,0|2,0,0]=4 2061 B14R2.68 Fc1ccc(cc1)C2CCNCC2 1P003KKI [0,1,0,1,0,0|2,0,0]=4 2062 B14R2.68 Fc1ccc(cc1)C2CCNCC2 1P0078VI [0,1,0,1,0,0|2,0,0]=4 2063 B14R2.68 Fc1ccc(cc1)C2NCCNC2 1P00IBZE [0,1,0,1,0,0|2,0,0]=4 2064 B14R2.68 Fc1ccc(cc1)C2NCCOC2 1P0096NN [0,1,0,1,0,0|2,0,0]=4 2065 B14R2.68 Fc1ccc(cc1)C2NCCOC2 1P00HF1M [0,1,0,1,0,0|2,0,0]=4 2066 B14R2.68 Fc1ccc(cc1)C2NCCSC2 1P00GSO9 [0,1,0,1,0,0|2,0,0]=4 2067 B14R2.68 Fc1ccc(cc1)C2OCCNC2 1P00VT0O [0,1,0,1,0,0|1,0,0]=3 2068 B14R2.68 Fc1ccc(cc1)[C@@H]2NCCOC2 1P009ZOP [0,1,0,1,0,0|2,0,0]=4 2069 B14R2.68 Fc1ccc(cc1)[C@@H]2NCCOC2 1P01DULM [0,1,0,1,0,0|2,0,0]=4 2070 B14R2.68 Fc1ccc(cc1)[C@H]2CCCCN2 1P008RL4 [0,1,0,1,0,0|1,0,0]=3 2071 B14R2.68 Fc1ccc(cc1)[C@H]2CCCCN2 1P023ZKO [0,1,0,1,0,0|1,0,0]=3 2072 B14R2.68 Fc1ccc(cc1)[C@H]2NCCNC2 1P028J77 [0,1,0,1,0,0|2,0,0]=4 2073 B14R2.68 Fc1ccc(cc1)[C@H]2NCCOC2 1P00128L [0,1,0,1,0,0|2,0,0]=4 2074 B14R2.68 Fc1ccc(nc1)C2CCCCN2 1P01ANDG [0,1,0,1,0,0|2,0,0]=4 2075 B14R2.68 Ic1ccc(cc1)C2CCCCC2 1P022LDN [0,1,0,1,0,0|1,0,0]=3 2076 B14R2.68 NC1CCC(CC1)c2ccccc2 1P002CXJ [0,1,0,1,0,0|1,0,0]=3 2077 B14R2.68 NC1CCC(CC1)c2ccccc2 1P01K4P2 [0,1,0,1,0,0|1,0,0]=3 2078 B14R2.68 NC1CCN(CC1)c2ccccc2 1P007DJZ [0,1,0,1,0,0|2,0,0]=4 2079 B14R2.68 NC1CCN(CC1)c2ccccc2 1P00IBRI [0,1,0,1,0,0|2,0,0]=4 2080 B14R2.68 Nc1ccc(cc1)C2CCCCC2 1P003LQH [0,1,0,1,0,0|1,0,0]=3 2081 B14R2.68 Nc1ccc(cc1)C2CCCCO2 1P028KIC [0,1,0,1,0,0|0,0,0]=2 2082 B14R2.68 Nc1ccc(cc1)C2CCCNC2 1P002B7V [0,1,0,1,0,0|2,0,0]=4 2083 B14R2.68 Nc1ccc(cc1)C2CCNCC2 1P008SOP [0,1,0,1,0,0|2,0,0]=4 2084 B14R2.68 Nc1ccc(cc1)C2CCOCC2 1P00ECEH [0,1,0,1,0,0|2,0,0]=4 2085 B14R2.68 Nc1ccc(cc1)C2OCCNC2 1P01DVNI [0,1,0,1,0,0|1,0,0]=3 2086 B14R2.68 Nc1ccc(cc1)C2OCCOC2 1P028I5G [0,1,0,1,0,0|1,0,0]=3 2087 B14R2.68 Nc1ccc(cc1)N2CCCCC2 1P002O9Z [0,1,0,1,0,0|2,0,0]=4 2088 B14R2.68 Nc1ccc(cc1)N2CCCCC2 1P009UDR [0,1,0,1,0,0|2,0,0]=4 2089 B14R2.68 Nc1ccc(cn1)C2CCCCC2 1P01BT3A [0,1,0,1,0,0|2,0,0]=4 2090 B14R2.68 O=C1CCC(CC1)c2ccccc2 1P0034LM [0,1,0,1,0,0|1,0,1]=4 2091 B14R2.68 O=C1COC(OC1)c2ccccc2 1P00DM9X [0,1,0,1,0,0|1,0,1]=4 2092 B14R2.68 O=C1NCC(OC1)c2ccccc2 1P00E1M0 [0,1,0,1,0,0|1,0,1]=4 2093 B14R2.68 OC1CCC(CC1)c2ccccc2 1P00IA6A [0,1,0,1,0,0|1,0,0]=3 2094 B14R2.68 OC1CCN(CC1)c2ccccc2 1P0077NG [0,1,0,1,0,0|2,0,0]=4 2095 B14R2.68 OC1COC(OC1)c2ccccc2 1P003IBG [0,1,0,1,0,0|1,0,0]=3 2096 B14R2.68 O[C@@H]1CC[C@@H](CC1)c2ccccc2 1P00FUA7 [0,1,0,1,0,0|1,0,0]=3 2097 B14R2.68 O[C@@H]1CC[C@H](CC1)c2ccccc2 1P00EGRK [0,1,0,1,0,0|1,0,0]=3 2098 B14R2.68 O[C@@H]1CO[C@@H](OC1)c2ccccc2 1P003PEX [0,1,0,1,0,0|1,0,0]=3 2099 B14R2.68 Oc1ccc(cc1)B2OCCCO2 1P00HZJC [0,1,0,1,0,0|2,0,0]=4 2100 B14R2.68 Oc1ccc(cc1)C2CCCCC2 1P003LQJ [0,1,0,1,0,0|1,0,0]=3 2101 B14R2.68 Oc1ccc(cc1)C2CCCCN2 1P01EMYC [0,1,0,1,0,0|1,0,0]=3 2102 B14R2.68 Oc1ccc(cc1)C2CCCNC2 1P021VD2 [0,1,0,1,0,0|2,0,0]=4 2103 B14R2.68 Oc1ccc(cc1)C2CCNCC2 1P002T5B [0,1,0,1,0,0|2,0,0]=4 2104 B14R2.68 Oc1ccc(cc1)C2CCNCC2 1P00I2AY [0,1,0,1,0,0|2,0,0]=4 2105 B14R2.68 Oc1ccc(cc1)C2NCCOC2 1P028FH3 [0,1,0,1,0,0|2,0,0]=4 2106 B14R2.68 Oc1ccc(cc1)C2SCCCS2 1P00EH4Y [0,1,0,1,0,0|1,1,0]=4 2107 B14R2.68 Oc1ccc(cn1)C2CCCCN2 1P028T6J [0,1,0,1,0,0|2,0,0]=4 2108 B14R2.68 SC1CCC(CC1)c2ccccc2 1P01BU7Y [0,1,0,1,0,0|1,0,0]=3 2109 B14R2.68 Sc1ccc(cc1)C2CCCCC2 1P0027WY [0,1,0,1,0,0|1,0,0]=3 2110 B14R2.72 Brc1ccc(cc1)CC2CCCN2 1P007AR9 [0,1,0,1,0,0|1,0,0]=3 2111 B14R2.72 Brc1ccc(cc1)CC2CCCN2 1P0092UY [0,1,0,1,0,0|1,0,0]=3 2112 B14R2.72 Brc1ccc(cc1)CC2CNCC2 1P000HH8 [0,1,0,1,0,0|2,0,0]=4 2113 B14R2.72 Brc1ccc(cc1)CC2CNCC2 1P01AMJF [0,1,0,1,0,0|2,0,0]=4 2114 B14R2.72 Brc1ccc(cc1)CN2CCCC2 1P006WF7 [0,1,0,1,0,0|2,0,0]=4 2115 B14R2.72 Brc1ccc(cc1)CN2CCCC2 1P00J4E1 [0,1,0,1,0,0|2,0,0]=4 2116 B14R2.72 Brc1ccc(cc1)OC2CCCC2 1P0031MN [0,1,0,1,0,0|2,0,0]=4 2117 B14R2.72 Cc1ccc(cc1)CC2CCCN2 1P00I808 [0,1,0,1,0,0|1,0,0]=3 2118 B14R2.72 Clc1ccc(cc1)CC2CCCN2 1P00IC15 [0,1,0,1,0,0|1,0,0]=3 2119 B14R2.72 Clc1ccc(cc1)NC2CCCC2 1P01AYEX [0,1,0,1,0,0|2,0,0]=4 2120 B14R2.72 Fc1ccc(cc1)CC2CCCN2 1P008XQV [0,1,0,1,0,0|1,0,0]=3 2121 B14R2.72 Fc1ccc(cc1)CC2CCCN2 1P00BZ4B [0,1,0,1,0,0|1,0,0]=3 2122 B14R2.72 Fc1ccc(cc1)CC2CNCC2 1P00025T [0,1,0,1,0,0|2,0,0]=4 2123 B14R2.72 Fc1ccc(cc1)CC2CNCC2 1P0073X7 [0,1,0,1,0,0|2,0,0]=4 2124 B14R2.72 Fc1ccc(cc1)NC2CCCC2 1P019ZXZ [0,1,0,1,0,0|2,0,0]=4 2125 B14R2.72 Ic1ccc(cc1)CC2CNCC2 1P01B68I [0,1,0,1,0,0|2,0,0]=4 2126 B14R2.72 Ic1ccc(cc1)OC2CCCC2 1P00AOEV [0,1,0,1,0,0|2,0,0]=4 2127 B14R2.72 Nc1ccc(cc1)CC2CCCC2 1P01KKKX [0,1,0,1,0,0|1,0,0]=3 2128 B14R2.72 Nc1ccc(cc1)CN2CCCC2 1P004TT1 [0,1,0,1,0,0|2,0,0]=4 2129 B14R2.72 Nc1ccc(cc1)CN2CCCC2 1P007KDY [0,1,0,1,0,0|2,0,0]=4 2130 B14R2.72 Nc1ccc(cc1)CN2CCCC2 1P00GWHL [0,1,0,1,0,0|2,0,0]=4 2131 B14R2.72 Nc1ccc(cc1)OC2CCCC2 1P002TRM [0,1,0,1,0,0|2,0,0]=4 2132 B14R2.72 Nc1ccc(cc1)OC2CCCC2 1P019LSJ [0,1,0,1,0,0|2,0,0]=4 2133 B14R2.72 Nc1ccc(cc1)SC2CCCC2 1P019MFO [0,1,0,1,0,0|2,0,0]=4 2134 B14R2.72 Nc1ccc(cc1)SC2CCCC2 1P01A1ZG [0,1,0,1,0,0|2,0,0]=4 2135 B14R2.72 Oc1ccc(cc1)CC2CNCC2 1P028RVJ [0,1,0,1,0,0|2,0,0]=4 2136 B14R2.72 Oc1ccc(cc1)OC2CCCC2 1P01A81T [0,1,0,1,0,0|2,0,0]=4 2137 B14R2.926 CC1CNCC1c2ccc(cc2)Br 1P01BW79 [0,1,0,1,0,0|2,0,0]=4 2138 B14R2.926 NC1CCCC1c2ccc(cc2)Br 1P028SVH [0,1,0,1,0,0|1,0,0]=3 2139 B14R2.926 NC1CCCC1c2ccc(cc2)C 1P019SYU [0,1,0,1,0,0|1,0,0]=3 2140 B14R2.926 NC1CCCC1c2ccc(cc2)Cl 1P01ALEN [0,1,0,1,0,0|1,0,0]=3 2141 B14R2.926 NC1CCOC1c2ccc(cc2)Cl 1P01A537 [0,1,0,1,0,0|2,0,0]=4 2142 B14R2.926 O=C1CCCC1c2ccc(cc2)Br 1P01ELOU [0,1,0,1,0,0|0,0,2]=4 2143 B14R2.926 O=C1CCCC1c2ccc(cc2)C 1P019SKA [0,1,0,1,0,0|0,0,2]=4 2144 B14R2.926 O=C1CCCC1c2ccc(cc2)Cl 1P00CLE1 [0,1,0,1,0,0|0,0,2]=4 2145 B14R2.926 O=C1CCCC1c2ccc(cc2)F 1P01AL2N [0,1,0,1,0,0|0,0,2]=4 2146 B14R2.926 OC1CCCC1c2ccc(cc2)C 1P01AITZ [0,1,0,1,0,0|0,0,0]=2 2147 B14R2.926 OC1CCCC1c2ccc(cc2)F 1P01AIU0 [0,1,0,1,0,0|0,0,0]=2 2148 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(cc2)Br 1P028VQN [0,1,0,1,0,0|0,0,0]=2 2149 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(cc2)Cl 1P0292Q5 [0,1,0,1,0,0|0,0,0]=2 2150 B14R2.926 O[C@@H]1CCN[C@@H]1c2ccc(cc2)Br 1P023TTW [0,1,0,1,0,0|1,0,0]=3 2151 B14R2.926 O[C@@H]1COC[C@H]1c2ccc(cc2)Br 1P028PH4 [0,1,0,1,0,0|1,0,0]=3 2152 B14R2.926 O[C@H]1CCN[C@H]1c2ccc(cc2)Cl 1P01AMQL [0,1,0,1,0,0|1,0,0]=3 2153 B14R2.951 Brc1ccc(cc1)COCC2CC2 1P00069G [0,1,0,1,0,0|2,0,0]=4 2154 B14R2.951 Clc1ccc(cc1)COCC2OC2 1P019JXR [0,1,0,1,0,0|1,0,0]=3 2155 B14R2.951 Clc1ccc(cc1)OCCC2CC2 1P028IGT [0,1,0,1,0,0|2,0,0]=4 2156 B14R2.951 Fc1ccc(cc1)CCNC2CC2 1P01AJI1 [0,1,0,1,0,0|2,0,0]=4 2157 B14R2.951 Fc1ccc(cc1)CNCC2CC2 1P0099HI [0,1,0,1,0,0|2,0,0]=4 2158 B14R2.951 Nc1ccc(cc1)OCCC2CC2 1P01B2O3 [0,1,0,1,0,0|2,0,0]=4 2159 B14R2.951 Oc1ccc(cc1)CNCC2CC2 1P01A8PK [0,1,0,1,0,0|2,0,0]=4 2160 B14R2.5637 Brc1ccc2c(c1)C(=O)CCCC2 1P004IPE [0,1,0,1,0,0|0,0,2]=4 2161 B14R2.5637 Brc1ccc2c(c1)C(N)CCCC2 1P028X5I [0,1,0,1,0,0|1,0,0]=3 2162 B14R2.5637 Brc1ccc2c(c1)C(N)CCCO2 1P028SH6 [0,1,0,1,0,0|2,0,0]=4 2163 B14R2.5637 Brc1ccc2c(c1)C(N)CCCS2 1P01BVYF [0,1,0,1,0,0|2,0,0]=4 2164 B14R2.5637 Brc1ccc2c(c1)C(O)CCCC2 1P00FGO9 [0,1,0,1,0,0|0,0,0]=2 2165 B14R2.5637 Brc1ccc2c(c1)C(O)CCCO2 1P009ZQ1 [0,1,0,1,0,0|1,0,0]=3 2166 B14R2.5637 Brc1ccc2c(c1)C(O)CCNC2 1P0282VQ [0,1,0,1,0,0|1,0,0]=3 2167 B14R2.5637 Cc1ccc2c(c1)C(N)CCCN2 1P001H7W [0,1,0,1,0,0|2,0,0]=4 2168 B14R2.5637 Clc1ccc2c(c1)C(=O)CCCC2 1P0072VJ [0,1,0,1,0,0|0,0,2]=4 2169 B14R2.5637 Clc1ccc2c(c1)C(C)CNCC2 1P009D2K [0,1,0,1,0,0|2,0,0]=4 2170 B14R2.5637 Clc1ccc2c(c1)C(C)CNCC2 1P00E937 [0,1,0,1,0,0|2,0,0]=4 2171 B14R2.5637 Clc1ccc2c(c1)C(O)CCCN2 1P01XCFU [0,1,0,1,0,0|1,0,0]=3 2172 B14R2.5637 Fc1ccc2c(c1)C(C)CNCC2 1P01C730 [0,1,0,1,0,0|2,0,0]=4 2173 B14R2.5637 Fc1ccc2c(c1)C(N)CCCO2 1P019XF8 [0,1,0,1,0,0|2,0,0]=4 2174 B14R2.5637 Fc1ccc2c(c1)C(O)CCCN2 1P01A6BU [0,1,0,1,0,0|1,0,0]=3 2175 B14R2.5637 Nc1ccc2c(c1)C(=O)CCCC2 1P00IJAH [0,1,0,1,0,0|0,0,2]=4 2176 B14R2.5637 Nc1ccc2c(c1)C(O)CCCC2 1P01B5KN [0,1,0,1,0,0|0,0,0]=2 2177 B14R2.5637 Oc1ccc2c(c1)C(=O)CCCC2 1P01A4XQ [0,1,0,1,0,0|0,0,2]=4 2178 B14R2.5637 Oc1ccc2c(c1)C(C)CNCC2 1P028OE4 [0,1,0,1,0,0|2,0,0]=4 2179 B14R2.10626 Fc1ccc(cc1)CNC2CCC2 1P01O64N [0,1,0,1,0,0|2,0,0]=4 2180 B14R2.10626 Nc1ccc(cc1)OCC2CCC2 1P01NVTZ [0,1,0,1,0,0|2,0,0]=4 2181 B14R2.11684 CCN1CCCc2c1cc(N)cc2 1P0030FQ [0,1,0,1,0,0|2,0,0]=4 2182 B14R2.11684 CNC1CCCc2c1cc(Br)cc2 1P027VQC [0,1,0,1,0,0|2,0,0]=4 2183 B14R2.11684 NCC1CCOc2c1cc(Br)cc2 1P028N7S [0,1,0,1,0,0|2,0,0]=4 2184 B14R2.11684 OCC1NCCc2c1cc(Br)cc2 1P028L8H [0,1,0,1,0,0|1,0,0]=3 2185 B14R2.11684 O\N=C/1\CCCc2c1cc(C)cc2 1P00E1K0 [0,1,0,1,0,0|1,0,1]=4 2186 B14R2.8 BrCC1CCN(C1)c2ccccc2 1P028KEM [0,1,0,1,0,0|2,0,0]=4 2187 B14R2.8 ClCC1COC(O1)c2ccccc2 1P018YGG [0,1,0,1,0,0|2,0,0]=4 2188 B14R2.8 ICC1CCC(O1)c2ccccc2 1P01BIC7 [0,1,0,1,0,0|1,0,0]=3 2189 B14R2.8 NCC1CCC(C1)c2ccccc2 1P01AN65 [0,1,0,1,0,0|1,0,0]=3 2190 B14R2.8 NCC1CCC(C1)c2ccccc2 1P0286E8 [0,1,0,1,0,0|1,0,0]=3 2191 B14R2.8 NCC1CCC(O1)c2ccccc2 1P01A2H9 [0,1,0,1,0,0|1,0,0]=3 2192 B14R2.8 NCC1CCC(O1)c2ccccc2 1P01C5XK [0,1,0,1,0,0|1,0,0]=3 2193 B14R2.8 NCC1CCN(C1)c2ccccc2 1P00GW8Z [0,1,0,1,0,0|2,0,0]=4 2194 B14R2.8 NC[C@@H]1CC[C@H](O1)c2ccccc2 1P028ZKB [0,1,0,1,0,0|1,0,0]=3 2195 B14R2.8 NC[C@H]1CC[C@@H](O1)c2ccccc2 1P01BC9R [0,1,0,1,0,0|1,0,0]=3 2196 B14R2.8 NC[C@H]1CC[C@H](O1)c2ccccc2 1P01BCO3 [0,1,0,1,0,0|1,0,0]=3 2197 B14R2.8 NC[C@H]1OC[C@H](C1)c2ccccc2 1P01B2MV [0,1,0,1,0,0|2,0,0]=4 2198 B14R2.8 OCC1CCC(N1)c2ccccc2 1P01S3MG [0,1,0,1,0,0|0,0,0]=2 2199 B14R2.8 OCC1CCC(O1)c2ccccc2 1P01AM1X [0,1,0,1,0,0|0,0,0]=2 2200 B14R2.8 OCC1CCN(C1)c2ccccc2 1P004XNY [0,1,0,1,0,0|1,0,0]=3 2201 B14R2.8 OC[C@@H]1CC[C@@H](O1)c2ccccc2 1P02899R [0,1,0,1,0,0|0,0,0]=2 2202 B14R2.8 OC[C@@H]1CC[C@H](C1)c2ccccc2 1P0292NQ [0,1,0,1,0,0|0,0,0]=2 2203 B14R2.8 OC[C@@H]1CC[C@H](N1)c2ccccc2 1P02845V [0,1,0,1,0,0|0,0,0]=2 2204 B14R2.114 CC(c1ccccc1)C2CNCC2 1P01FKNS [0,1,0,1,0,0|2,0,0]=4 2205 B14R2.114 NC(c1ccccc1)C2CCCC2 1P002NRR [0,1,0,1,0,0|1,0,0]=3 2206 B14R2.114 NC(c1ccccc1)C2CCCC2 1P00BI7X [0,1,0,1,0,0|1,0,0]=3 2207 B14R2.114 NC(c1ccccc1)C2CCCO2 1P00H47K [0,1,0,1,0,0|0,0,0]=2 2208 B14R2.114 NC(c1ccccc1)C2COCC2 1P01A4NZ [0,1,0,1,0,0|2,0,0]=4 2209 B14R2.114 NC(c1ccccn1)C2CCCC2 1P019TEI [0,1,0,1,0,0|2,0,0]=4 2210 B14R2.114 NC(c1cccnc1)C2CCCO2 1P02861D [0,1,0,1,0,0|1,0,0]=3 2211 B14R2.114 N[C@@H](c1ccccc1)C2CCCC2 1P009IUX [0,1,0,1,0,0|1,0,0]=3 2212 B14R2.114 O=C(c1ccccc1)C2CCCC2 1P003PN9 [0,1,0,1,0,0|1,0,1]=4 2213 B14R2.114 O=C(c1ccccc1)C2CCCN2 1P00A9JB [0,1,0,1,0,0|1,0,1]=4 2214 B14R2.114 OC(c1ccccc1)C2CCCC2 1P00DBGW [0,1,0,1,0,0|1,0,0]=3 2215 B14R2.114 OC(c1ccccc1)C2CCCN2 1P01C0NE [0,1,0,1,0,0|1,0,0]=3 2216 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 1P023L9S [0,1,0,1,0,0|1,0,0]=3 2217 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 1P01B7DZ [0,1,0,1,0,0|1,0,0]=3 2218 B14R2.510 OCCC1NC(=O)c2c1cccc2 1P02907H [0,1,0,1,0,0|1,0,1]=4 2219 B14R2.792 CC(c1ccccc1)NCC2CC2 1P00C9A1 [0,1,0,1,0,0|2,0,0]=4 2220 B14R2.792 CC(c1ccccc1)NCC2CC2 1P00J49U [0,1,0,1,0,0|2,0,0]=4 2221 B14R2.792 NC(c1cccnc1)CCC2CC2 1P0281EN [0,1,0,1,0,0|2,0,0]=4 2222 B14R2.792 O=C(c1ccccc1)OCC2OC2 1P0080GA [0,1,0,1,0,0|1,0,1]=4 2223 B14R2.792 OC(c1ccccc1)CNC2CC2 1P01AJRK [0,1,0,1,0,0|2,0,0]=4 2224 B14R2.794 NC(c1ccccc1)CC2CCC2 1P01A53U [0,1,0,1,0,0|1,0,0]=3 2225 B14R2.794 NC(c1cccnc1)CC2CCC2 1P023SCB [0,1,0,1,0,0|2,0,0]=4 2226 B14R2.794 O=C(c1ccccc1)CC2CCC2 1P01A53Z [0,1,0,1,0,0|1,0,1]=4 2227 B14R2.1131 NCC1CCN(c2c1cccc2)C 1P019VID [0,1,0,1,0,0|2,0,0]=4 2228 B14R2.1131 NCC1CCN(c2c1cccc2)C 1P0284DQ [0,1,0,1,0,0|2,0,0]=4 2229 B14R2.1131 OCC1CNC(=O)c2c1cccc2 1P01BQ7B [0,1,0,1,0,0|1,0,1]=4 2230 B14R2.1131 OCC1COC(=O)c2c1cccc2 1P028H1M [0,1,0,1,0,0|1,0,1]=4 2231 B14R2.4510 CN1CCCC(c2c1cccc2)N 1P01FKRU [0,1,0,1,0,0|2,0,0]=4 2232 B14R2.4510 O=C1CCCC(c2c1cccc2)Br 1P01EME3 [0,1,0,1,0,0|0,0,2]=4 2233 B14R2.4510 O[C@@H]1CCCC(=O)c2c1nccc2 1P0249BN [0,1,0,1,0,0|1,0,1]=4 2234 B14R2.4510 O[C@H]1CCCC(=O)c2c1nccc2 1P027TQN [0,1,0,1,0,0|1,0,1]=4 2235 B14R2.5540 CC1(CCCCN1)c2ccccc2 1P028PY4 [0,1,0,1,0,0|1,0,0]=3 2236 B14R2.5540 CC1(CCCNC1)c2ccccc2 1P002B8Q [0,1,0,1,0,0|2,0,0]=4 2237 B14R2.5540 CC1(CCCNC1)c2ccccc2 1P028Y1O [0,1,0,1,0,0|2,0,0]=4 2238 B14R2.5540 CC1(CCNCC1)c2ccccc2 1P001S5T [0,1,0,1,0,0|2,0,0]=4 2239 B14R2.5540 CC1(CCNCC1)c2ccccc2 1P00539A [0,1,0,1,0,0|2,0,0]=4 2240 B14R2.5540 CC1(NCCOC1)c2ccccc2 1P00H3FT [0,1,0,1,0,0|2,0,0]=4 2241 B14R2.5540 CC1(OCCNC1)c2ccccc2 1P0090QY [0,1,0,1,0,0|1,0,0]=3 2242 B14R2.5540 CC1(OCCNC1)c2ccccc2 1P01C5NI [0,1,0,1,0,0|1,0,0]=3 2243 B14R2.5540 C[C@@]1(NCCOC1)c2ccccc2 1P020MTQ [0,1,0,1,0,0|2,0,0]=4 2244 B14R2.5540 C[C@]1(NCCOC1)c2ccccc2 1P028OMZ [0,1,0,1,0,0|2,0,0]=4 2245 B14R2.5540 FC1(CCCNC1)c2ccccc2 1P01BRNF [0,1,0,1,0,0|2,0,0]=4 2246 B14R2.5540 NC1(CCCOC1)c2ccccc2 1P028HSU [0,1,0,1,0,0|2,0,0]=4 2247 B14R2.5540 NC1(CCNCC1)c2ccccc2 1P01FC37 [0,1,0,1,0,0|2,0,0]=4 2248 B14R2.5540 NC1(CCOCC1)c2ccccc2 1P001CGB [0,1,0,1,0,0|2,0,0]=4 2249 B14R2.5540 NC1(CCOCC1)c2ccccc2 1P00J3GQ [0,1,0,1,0,0|2,0,0]=4 2250 B14R2.5540 OC1(CCCCC1)c2ccccc2 1P001RGN [0,1,0,1,0,0|1,0,0]=3 2251 B14R2.5540 OC1(CCCNC1)c2ccccc2 1P009TID [0,1,0,1,0,0|2,0,0]=4 2252 B14R2.5540 OC1(CCNCC1)c2ccccc2 1P003MG4 [0,1,0,1,0,0|2,0,0]=4 2253 B14R2.5540 OC1(CCNCC1)c2ccccc2 1P00E104 [0,1,0,1,0,0|2,0,0]=4 2254 B14R2.5540 OC1(CCOCC1)c2ccccc2 1P00G3MJ [0,1,0,1,0,0|2,0,0]=4 2255 B14R2.24101 O=C1CCCCCc2c1cccc2 1P0054RY [0,1,0,1,0,0|0,0,1]=3 2256 B14R2.3 C#CCNC1CCc2c1cccc2 1P003SQP [0,1,0,1,0,0|1,0,1]=4 2257 B14R2.3 C#CCNC1CCc2c1cccc2 1P019UYB [0,1,0,1,0,0|1,0,1]=4 2258 B14R2.3 C#CCN[C@@H]1CCc2c1cccc2 1P001WBA [0,1,0,1,0,0|1,0,1]=4 2259 B14R2.3 C#CCN[C@@H]1CCc2c1cccc2 1P003CS3 [0,1,0,1,0,0|1,0,1]=4 2260 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 1P007TRF [0,1,0,1,0,0|1,0,1]=4 2261 B14R2.3 C=CCNC1CCc2c1cccc2 1P01FIJI [0,1,0,1,0,0|1,0,1]=4 2262 B14R2.3 CCCNC1CCc2c1cccc2 1P019M6O [0,1,0,1,0,0|1,0,0]=3 2263 B14R2.3 CNCCN1CCc2c1cccc2 1P02849N [0,1,0,1,0,0|2,0,0]=4 2264 B14R2.3 COCCC1NCc2c1cccc2 1P01ACMG [0,1,0,1,0,0|1,0,0]=3 2265 B14R2.3 CONCC1COc2c1cccc2 1P01C0Z0 [0,1,0,1,0,0|2,0,0]=4 2266 B14R2.3 CONCC1CSc2c1cccc2 1P01C0KK [0,1,0,1,0,0|2,0,0]=4 2267 B14R2.3 N#CCCN1CCc2c1cccc2 1P019LRX [0,1,0,1,0,0|1,0,1]=4 2268 B14R2.3 NCCCN1CCc2c1cccc2 1P00EEHS [0,1,0,1,0,0|1,0,0]=3 2269 B14R2.3 OCCCc1c[nH]c2c1cccc2 1P003IG1 [0,1,0,1,0,0|0,0,2]=4 2270 B14R2.3 OCCNC1CCc2c1cccc2 1P01AIBK [0,1,0,1,0,0|0,0,0]=2 2271 B14R2.3 [13CH]#[13C][13CH2]N[C@@H]1CCc2c1cccc2 1P01E29K [0,1,0,1,0,0|1,0,1]=4 2272 B14R2.6 C1CCC(=Nc2ccccc2)CC1 1P0038S6 [0,1,0,1,0,0|1,0,1]=4 2273 B14R2.6 C1CCC(CC1)Cc2ccncc2 1P01F81S [0,1,0,1,0,0|2,0,0]=4 2274 B14R2.6 C1CCC(CC1)Nc2ccccc2 1P0023UQ [0,1,0,1,0,0|1,0,0]=3 2275 B14R2.6 C1CCC(CC1)Nc2ccccn2 1P001O3X [0,1,0,1,0,0|2,0,0]=4 2276 B14R2.6 C1CCC(CC1)Nc2ccncc2 1P00CKNM [0,1,0,1,0,0|2,0,0]=4 2277 B14R2.6 C1CCC(CC1)Oc2ccccc2 1P003PMD [0,1,0,1,0,0|1,0,0]=3 2278 B14R2.6 C1CCC(CN1)Cc2ccccc2 1P009BGO [0,1,0,1,0,0|1,0,0]=3 2279 B14R2.6 C1CCC(CN1)Cc2ccccc2 1P00APV8 [0,1,0,1,0,0|1,0,0]=3 2280 B14R2.6 C1CCC(CN1)Cc2ccccn2 1P01ASOF [0,1,0,1,0,0|2,0,0]=4 2281 B14R2.6 C1CCC(CN1)Cc2ccncc2 1P028CVW [0,1,0,1,0,0|2,0,0]=4 2282 B14R2.6 C1CCC(CN1)Nc2ccccc2 1P0001TR [0,1,0,1,0,0|2,0,0]=4 2283 B14R2.6 C1CCC(CN1)Nc2ccccc2 1P024VH9 [0,1,0,1,0,0|2,0,0]=4 2284 B14R2.6 C1CCC(CN1)Oc2ccccc2 1P00HECL [0,1,0,1,0,0|2,0,0]=4 2285 B14R2.6 C1CCC(NC1)Cc2ccccc2 1P00BZDM [0,1,0,1,0,0|1,0,0]=3 2286 B14R2.6 C1CCN(CC1)Cc2ccccc2 1P002VSO [0,1,0,1,0,0|1,0,0]=3 2287 B14R2.6 C1CC[C@@H](CN1)Oc2ccccc2 1P028E2I [0,1,0,1,0,0|2,0,0]=4 2288 B14R2.6 C1CC[C@H](CN1)Oc2ccccc2 1P01C3Z0 [0,1,0,1,0,0|2,0,0]=4 2289 B14R2.6 C1CNC(CO1)Cc2ccccn2 1P01X1NC [0,1,0,1,0,0|2,0,0]=4 2290 B14R2.6 N1CCC(CC1)Cc2ccccc2 1P003LAO [0,1,0,1,0,0|1,0,0]=3 2291 B14R2.6 N1CCC(CC1)Cc2ccccn2 1P00GXP9 [0,1,0,1,0,0|2,0,0]=4 2292 B14R2.6 N1CCC(CC1)Cc2cccnc2 1P008XJW [0,1,0,1,0,0|2,0,0]=4 2293 B14R2.6 N1CCC(CC1)Cc2cccnc2 1P00B8DN [0,1,0,1,0,0|2,0,0]=4 2294 B14R2.6 N1CCC(CC1)Cc2ccncc2 1P000EG1 [0,1,0,1,0,0|2,0,0]=4 2295 B14R2.6 N1CCC(CC1)Cc2ccncc2 1P00IGCN [0,1,0,1,0,0|2,0,0]=4 2296 B14R2.6 N1CCC(CC1)Oc2ccccc2 1P00BZJX [0,1,0,1,0,0|2,0,0]=4 2297 B14R2.6 N1CCC(CC1)Oc2ccccc2 1P00C1EZ [0,1,0,1,0,0|2,0,0]=4 2298 B14R2.6 N1CCC(CC1)Sc2ccccc2 1P00061X [0,1,0,1,0,0|2,0,0]=4 2299 B14R2.6 N1CCNC(C1)Cc2ccccc2 1P0055H0 [0,1,0,1,0,0|1,0,0]=3 2300 B14R2.6 N1CCNC(C1)Cc2ccccc2 1P0092W2 [0,1,0,1,0,0|1,0,0]=3 2301 B14R2.6 N1CCN[C@@H](C1)Cc2ccccc2 1P01KKU5 [0,1,0,1,0,0|1,0,0]=3 2302 B14R2.6 N1CCN[C@H](C1)Cc2ccccc2 1P009I6U [0,1,0,1,0,0|1,0,0]=3 2303 B14R2.6 N1CCO[C@@H](C1)Cc2ccccc2 1P0010C2 [0,1,0,1,0,0|0,0,0]=2 2304 B14R2.6 N1CCO[C@H](C1)Cc2ccccc2 1P00IIZO [0,1,0,1,0,0|0,0,0]=2 2305 B14R2.6 N1CCSC(C1)Cc2ccccc2 1P019Q7C [0,1,0,1,0,0|0,1,0]=3 2306 B14R2.6 N1CCSC(C1)Cc2ccccc2 1P028WEC [0,1,0,1,0,0|0,1,0]=3 2307 B14R2.6 O1CCN(CC1)Cc2ccccc2 1P0086J1 [0,1,0,1,0,0|2,0,0]=4 2308 B14R2.6 O1CCNC(C1)Cc2ccccc2 1P000EHV [0,1,0,1,0,0|1,0,0]=3 2309 B14R2.6 O1CCNC(C1)Cc2ccccc2 1P00G8NT [0,1,0,1,0,0|1,0,0]=3 2310 B14R2.6 O1CCNC(C1)Cc2ccncc2 1P0280JH [0,1,0,1,0,0|2,0,0]=4 2311 B14R2.6 O1CCN[C@@H](C1)Cc2ccccc2 1P006YGU [0,1,0,1,0,0|1,0,0]=3 2312 B14R2.6 O1CCN[C@H](C1)Cc2ccccc2 1P005R73 [0,1,0,1,0,0|1,0,0]=3 2313 B14R2.14 CCC1CNCC1c2ccccc2 1P028X51 [0,1,0,1,0,0|1,0,0]=3 2314 B14R2.14 CNC1CCCC1c2ccccc2 1P01A5U2 [0,1,0,1,0,0|1,0,0]=3 2315 B14R2.14 CO[C@@H]1CCN[C@@H]1c2ccccc2 1P028F3R [0,1,0,1,0,0|1,0,0]=3 2316 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 1P01AM3G [0,1,0,1,0,0|1,0,1]=4 2317 B14R2.14 NCC1CCCC1c2ccccc2 1P01APLE [0,1,0,1,0,0|1,0,0]=3 2318 B14R2.14 NCC1CCCC1c2ccccc2 1P01APLF [0,1,0,1,0,0|1,0,0]=3 2319 B14R2.14 NCC1CCCN1c2ccccc2 1P01DWYE [0,1,0,1,0,0|1,0,0]=3 2320 B14R2.14 NC[C@@H]1CCO[C@H]1c2ccccc2 1P01BS1A [0,1,0,1,0,0|1,0,0]=3 2321 B14R2.14 O=NN1CCCC1c2ccccc2 1P0284ZN [0,1,0,1,0,0|1,0,1]=4 2322 B14R2.14 OCC1CCOC1c2ccccc2 1P01AD6U [0,1,0,1,0,0|0,0,0]=2 2323 B14R2.14 OC[C@@H]1CCN[C@@H]1c2ccccc2 1P027VN5 [0,1,0,1,0,0|0,0,0]=2 2324 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 1P0293A4 [0,1,0,1,0,0|0,0,0]=2 2325 B14R2.24 Brc1ccccc1B2OCCCO2 1P01XDLI [0,1,0,1,0,0|2,0,0]=4 2326 B14R2.24 Brc1ccccc1C2CCCCN2 1P0216VA [0,1,0,1,0,0|1,0,0]=3 2327 B14R2.24 Brc1ccccc1C2CCNCC2 1P000Q75 [0,1,0,1,0,0|2,0,0]=4 2328 B14R2.24 Brc1ccccc1C2CNCCN2 1P01EZGV [0,1,0,1,0,0|2,0,0]=4 2329 B14R2.24 Brc1ccccc1C2CNCCO2 1P00HC22 [0,1,0,1,0,0|1,0,0]=3 2330 B14R2.24 Brc1ccccc1N2CCCCC2 1P001PHB [0,1,0,1,0,0|2,0,0]=4 2331 B14R2.24 Brc1ccccc1N2CCCCC2 1P028GK3 [0,1,0,1,0,0|2,0,0]=4 2332 B14R2.24 Brc1ccccc1[C@@H]2COCCN2 1P01KLBG [0,1,0,1,0,0|2,0,0]=4 2333 B14R2.24 CC1CCNCC1c2ccccc2 1P01BISY [0,1,0,1,0,0|1,0,0]=3 2334 B14R2.24 CC1CNCCC1c2ccccc2 1P019S8Q [0,1,0,1,0,0|1,0,0]=3 2335 B14R2.24 CC1CNCCN1c2ccccc2 1P002YWK [0,1,0,1,0,0|2,0,0]=4 2336 B14R2.24 CC1SCCNC1c2ccccc2 1P01AJWA [0,1,0,1,0,0|2,0,0]=4 2337 B14R2.24 CN1CCNCC1c2ccccc2 1P008UUW [0,1,0,1,0,0|2,0,0]=4 2338 B14R2.24 CN1CCNCC1c2ccccc2 1P00D8TK [0,1,0,1,0,0|2,0,0]=4 2339 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 1P02805V [0,1,0,1,0,0|1,0,0]=3 2340 B14R2.24 Cc1ccccc1B2OCCCO2 1P001UMV [0,1,0,1,0,0|2,0,0]=4 2341 B14R2.24 Cc1ccccc1C2CCCCC2 1P003BC6 [0,1,0,1,0,0|1,0,0]=3 2342 B14R2.24 Cc1ccccc1C2CCCNC2 1P00FDLQ [0,1,0,1,0,0|2,0,0]=4 2343 B14R2.24 Cc1ccccc1C2CCCNC2 1P00J1LJ [0,1,0,1,0,0|2,0,0]=4 2344 B14R2.24 Cc1ccccc1C2CCNCC2 1P00EINF [0,1,0,1,0,0|2,0,0]=4 2345 B14R2.24 Cc1ccccc1C2CCNCC2 1P00IDP1 [0,1,0,1,0,0|2,0,0]=4 2346 B14R2.24 Cc1ccccc1C2CNCCN2 1P01E9ET [0,1,0,1,0,0|2,0,0]=4 2347 B14R2.24 Cc1ccccc1C2CNCCN2 1P024HKZ [0,1,0,1,0,0|2,0,0]=4 2348 B14R2.24 Cc1ccccc1C2CNCCO2 1P0005SS [0,1,0,1,0,0|1,0,0]=3 2349 B14R2.24 Clc1ccccc1B2OCCCO2 1P01XDH3 [0,1,0,1,0,0|2,0,0]=4 2350 B14R2.24 Clc1ccccc1C2CCCCN2 1P0288GQ [0,1,0,1,0,0|1,0,0]=3 2351 B14R2.24 Clc1ccccc1C2CCNCC2 1P0001IA [0,1,0,1,0,0|2,0,0]=4 2352 B14R2.24 Clc1ccccc1C2CCNCC2 1P005HN2 [0,1,0,1,0,0|2,0,0]=4 2353 B14R2.24 Clc1ccccc1C2CNCCN2 1P00G35L [0,1,0,1,0,0|2,0,0]=4 2354 B14R2.24 Clc1ccccc1C2CNCCO2 1P006CXK [0,1,0,1,0,0|1,0,0]=3 2355 B14R2.24 Clc1ccccc1C2CNCCO2 1P00H40U [0,1,0,1,0,0|1,0,0]=3 2356 B14R2.24 Clc1ccccc1C2CNCCS2 1P00HEDJ [0,1,0,1,0,0|1,1,0]=4 2357 B14R2.24 Clc1ccccc1C2COCCN2 1P0096NH [0,1,0,1,0,0|2,0,0]=4 2358 B14R2.24 Clc1ccccc1C2CSCCN2 1P0046OX [0,1,0,1,0,0|2,0,0]=4 2359 B14R2.24 FC1=CC=CC=[C@@]1[C@@H]2COCCN2 1P01K3WX [0,1,0,1,0,0|2,0,0]=4 2360 B14R2.24 F[C@@H]1CCCN[C@@H]1c2ccccc2 1P027UL5 [0,1,0,1,0,0|1,0,0]=3 2361 B14R2.24 F[C@@H]1CNCC[C@H]1c2ccccc2 1P027X34 [0,1,0,1,0,0|1,0,0]=3 2362 B14R2.24 F[C@H]1CCCN[C@H]1c2ccccc2 1P027UDM [0,1,0,1,0,0|1,0,0]=3 2363 B14R2.24 Fc1ccccc1C2CCCCN2 1P00C7NV [0,1,0,1,0,0|1,0,0]=3 2364 B14R2.24 Fc1ccccc1C2CCCNC2 1P0083YN [0,1,0,1,0,0|2,0,0]=4 2365 B14R2.24 Fc1ccccc1C2CCNCC2 1P002281 [0,1,0,1,0,0|2,0,0]=4 2366 B14R2.24 Fc1ccccc1C2CCNCC2 1P005LH7 [0,1,0,1,0,0|2,0,0]=4 2367 B14R2.24 Fc1ccccc1C2CNCCN2 1P00146D [0,1,0,1,0,0|2,0,0]=4 2368 B14R2.24 Fc1ccccc1C2CNCCN2 1P01BSNT [0,1,0,1,0,0|2,0,0]=4 2369 B14R2.24 Fc1ccccc1C2CNCCO2 1P00VT0N [0,1,0,1,0,0|1,0,0]=3 2370 B14R2.24 Fc1ccccc1C2COCCN2 1P028XY1 [0,1,0,1,0,0|2,0,0]=4 2371 B14R2.24 Fc1ccccc1[C@H]2COCCN2 1P01KKIZ [0,1,0,1,0,0|2,0,0]=4 2372 B14R2.24 NC1CCCCC1c2ccccc2 1P028K2R [0,1,0,1,0,0|1,0,0]=3 2373 B14R2.24 NC1CCCOC1c2ccncc2 1P01BAMG [0,1,0,1,0,0|1,0,0]=3 2374 B14R2.24 NC1CCNCC1c2ccccc2 1P0288E6 [0,1,0,1,0,0|1,0,0]=3 2375 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 1P002CW1 [0,1,0,1,0,0|1,0,0]=3 2376 B14R2.24 N[C@@H]1COCC[C@@H]1c2ccccc2 1P028K1Z [0,1,0,1,0,0|1,0,0]=3 2377 B14R2.24 N[C@H]1CCCO[C@@H]1c2ccncc2 1P01AGV8 [0,1,0,1,0,0|1,0,0]=3 2378 B14R2.24 Nc1ccccc1C2CCCCC2 1P01B83N [0,1,0,1,0,0|1,0,0]=3 2379 B14R2.24 Nc1ccccc1C2CCNCC2 1P00BKFY [0,1,0,1,0,0|2,0,0]=4 2380 B14R2.24 Nc1ccccc1N2CCCCC2 1P00BYVE [0,1,0,1,0,0|2,0,0]=4 2381 B14R2.24 O=C1CCCCC1c2ccccc2 1P001JXF [0,1,0,1,0,0|0,0,1]=3 2382 B14R2.24 O=C1CCCCN1c2ccccc2 1P00DA8N [0,1,0,1,0,0|0,0,2]=4 2383 B14R2.24 O=C1CCOCC1c2ccccc2 1P01WTDI [0,1,0,1,0,0|0,0,2]=4 2384 B14R2.24 OC1CCCCC1c2ccccc2 1P00ABUS [0,1,0,1,0,0|0,0,0]=2 2385 B14R2.24 OC1CCCCC1c2cccnc2 1P01BG74 [0,1,0,1,0,0|1,0,0]=3 2386 B14R2.24 OC1CCCCC1c2cncnc2 1P01BHBO [0,1,0,1,0,0|2,0,0]=4 2387 B14R2.24 O[C@@H]1CCCC[C@H]1c2ccccc2 1P002OER [0,1,0,1,0,0|0,0,0]=2 2388 B14R2.24 O[C@@H]1CCCC[C@H]1c2cccnc2 1P01BHO4 [0,1,0,1,0,0|1,0,0]=3 2389 B14R2.24 O[C@@H]1CNCC[C@@H]1c2ccccc2 1P02912D [0,1,0,1,0,0|0,0,0]=2 2390 B14R2.24 O[C@@H]1CNCC[C@H]1c2ccccc2 1P028SG9 [0,1,0,1,0,0|0,0,0]=2 2391 B14R2.24 O[C@H]1CCCC[C@@H]1c2ccccc2 1P003BYZ [0,1,0,1,0,0|0,0,0]=2 2392 B14R2.24 O[C@H]1CCCC[C@H]1c2cccnc2 1P01BHJM [0,1,0,1,0,0|1,0,0]=3 2393 B14R2.24 O[C@H]1CNCC[C@@H]1c2ccccc2 1P024SC5 [0,1,0,1,0,0|0,0,0]=2 2394 B14R2.24 Oc1ccccc1B2OCCCO2 1P01XDMP [0,1,0,1,0,0|2,0,0]=4 2395 B14R2.24 Oc1ccccc1C2CCCCC2 1P003HLG [0,1,0,1,0,0|1,0,0]=3 2396 B14R2.24 Oc1ccccc1C2CCNCC2 1P001W7E [0,1,0,1,0,0|2,0,0]=4 2397 B14R2.24 Oc1ccccc1C2CCNCC2 1P001W7U [0,1,0,1,0,0|2,0,0]=4 2398 B14R2.24 Oc1ccccc1N2CCCCC2 1P0033AZ [0,1,0,1,0,0|2,0,0]=4 2399 B14R2.24 Oc1ccccc1N2CCCCC2 1P028I0S [0,1,0,1,0,0|2,0,0]=4 2400 B14R2.24 Oc1ncccc1C2CCCCN2 1P0288VR [0,1,0,1,0,0|2,0,0]=4 2401 B14R2.30 CC1CCCN1Cc2ccccc2 1P008PFF [0,1,0,1,0,0|1,0,0]=3 2402 B14R2.30 CC1NCCC1Cc2ccccc2 1P019TW7 [0,1,0,1,0,0|1,0,0]=3 2403 B14R2.30 NC1CCCC1Cc2ccccc2 1P01AJTN [0,1,0,1,0,0|1,0,0]=3 2404 B14R2.30 NC1CCCC1Cc2ccccn2 1P01B6V0 [0,1,0,1,0,0|2,0,0]=4 2405 B14R2.30 NC1CCCC1Oc2ccccc2 1P01AI9U [0,1,0,1,0,0|1,0,0]=3 2406 B14R2.30 N[C@@H]1CCC[C@@H]1Oc2ccccc2 1P028H4L [0,1,0,1,0,0|1,0,0]=3 2407 B14R2.30 N[C@@H]1COC[C@@H]1Oc2ccccc2 1P028IGU [0,1,0,1,0,0|2,0,0]=4 2408 B14R2.30 N[C@H]1CCC[C@@H]1Cc2ccccc2 1P0292G3 [0,1,0,1,0,0|1,0,0]=3 2409 B14R2.30 O=C1CCCC1Cc2ccccc2 1P002WI1 [0,1,0,1,0,0|0,0,1]=3 2410 B14R2.30 O=C1CCCC1Cc2ccccn2 1P00AJYB [0,1,0,1,0,0|1,0,1]=4 2411 B14R2.30 O=C1CCCC1Oc2ccccc2 1P028J2I [0,1,0,1,0,0|0,0,2]=4 2412 B14R2.30 O=C1CCCN1Cc2ccccc2 1P003EHB [0,1,0,1,0,0|0,0,2]=4 2413 B14R2.30 O=C1COCC1Cc2ccccc2 1P01DZCD [0,1,0,1,0,0|0,0,2]=4 2414 B14R2.30 O=C1NCCC1Cc2ccccc2 1P0055VJ [0,1,0,1,0,0|0,0,2]=4 2415 B14R2.30 O=C1OCCC1Cc2ccccc2 1P01BW0W [0,1,0,1,0,0|0,0,2]=4 2416 B14R2.30 OC1CCCC1Cc2ccccc2 1P019S8X [0,1,0,1,0,0|0,0,0]=2 2417 B14R2.30 S=C1CCCN1Cc2ccccc2 1P01DIX0 [0,1,0,1,0,0|0,1,1]=4 2418 B14R2.31 O=C1CCC1OCc2ccccc2 1P002J3D [0,1,0,1,0,0|0,0,2]=4 2419 B14R2.31 OC1CCC1OCc2ccccc2 1P01B4QY [0,1,0,1,0,0|0,0,0]=2 2420 B14R2.31 O[C@@H]1CC[C@@H]1OCc2ccccc2 1P019GHO [0,1,0,1,0,0|0,0,0]=2 2421 B14R2.31 O[C@@H]1CC[C@H]1OCc2ccccc2 1P01A4UM [0,1,0,1,0,0|0,0,0]=2 2422 B14R2.78 NCC1CCN1Cc2ccccc2 1P00D8J3 [0,1,0,1,0,0|1,0,0]=3 2423 B14R2.78 OCC1CCN1Cc2ccccc2 1P00C4MB [0,1,0,1,0,0|0,0,0]=2 2424 B14R2.101 C1CCC(C1)NCc2ccccc2 1P006V0I [0,1,0,1,0,0|1,0,0]=3 2425 B14R2.101 C1CCC(C1)NCc2ccccc2 1P00J250 [0,1,0,1,0,0|1,0,0]=3 2426 B14R2.101 C1CCC(C1)NCc2ccccn2 1P00EBDD [0,1,0,1,0,0|2,0,0]=4 2427 B14R2.101 C1CNC(C1)CCc2ccccc2 1P00848H [0,1,0,1,0,0|1,0,0]=3 2428 B14R2.101 C1CNC(C1)CCc2ccccc2 1P019VW5 [0,1,0,1,0,0|1,0,0]=3 2429 B14R2.101 C1CNC(C1)COc2ccccc2 1P00B8M6 [0,1,0,1,0,0|1,0,0]=3 2430 B14R2.101 C1CNC(C1)COc2ccccc2 1P01AIDU [0,1,0,1,0,0|1,0,0]=3 2431 B14R2.101 C1CNC(C1)\C=C\c2ccccc2 1P01FIJ4 [0,1,0,1,0,0|1,0,1]=4 2432 B14R2.101 C1CN[C@@H](C1)CNc2ccccc2 1P003CWO [0,1,0,1,0,0|1,0,0]=3 2433 B14R2.101 C1CN[C@@H](C1)COc2ccccc2 1P001ZYW [0,1,0,1,0,0|1,0,0]=3 2434 B14R2.101 C1CN[C@@H](C1)COc2ccccc2 1P00BAOF [0,1,0,1,0,0|1,0,0]=3 2435 B14R2.101 C1CN[C@@H](C1)COc2cccnc2 1P001SX6 [0,1,0,1,0,0|2,0,0]=4 2436 B14R2.101 C1CN[C@H](C1)CCc2ccccn2 1P01FK1R [0,1,0,1,0,0|2,0,0]=4 2437 B14R2.101 C1CN[C@H](C1)CCc2ccncc2 1P028J3C [0,1,0,1,0,0|2,0,0]=4 2438 B14R2.101 C1CN[C@H](C1)COc2ccccc2 1P000WEA [0,1,0,1,0,0|1,0,0]=3 2439 B14R2.101 C1COC(C1)CNc2ccncc2 1P01AIHB [0,1,0,1,0,0|1,0,0]=3 2440 B14R2.101 C1COC(C1)CNc2ccnnc2 1P01B7Q3 [0,1,0,1,0,0|2,0,0]=4 2441 B14R2.101 C1COC(C1)COc2ccncc2 1P019UG2 [0,1,0,1,0,0|1,0,0]=3 2442 B14R2.101 C1NCC(C1)CCc2ccccc2 1P00EAKJ [0,1,0,1,0,0|1,0,0]=3 2443 B14R2.101 C1NCC(C1)COc2ccccc2 1P009AL6 [0,1,0,1,0,0|2,0,0]=4 2444 B14R2.101 C1NCC(C1)CSc2ccccc2 1P019SXN [0,1,0,1,0,0|2,0,0]=4 2445 B14R2.101 C1NCC(C1)NCc2ccccc2 1P00AOBW [0,1,0,1,0,0|2,0,0]=4 2446 B14R2.101 C1NCC(C1)OCc2ccccc2 1P009KKC [0,1,0,1,0,0|2,0,0]=4 2447 B14R2.101 C1NC[C@@H](C1)OCc2ccccc2 1P00GT42 [0,1,0,1,0,0|2,0,0]=4 2448 B14R2.101 C1NC[C@H](C1)OCc2ccccc2 1P00GT2S [0,1,0,1,0,0|2,0,0]=4 2449 B14R2.101 C1OCC(C1)CNc2ccccn2 1P01B7VY [0,1,0,1,0,0|2,0,0]=4 2450 B14R2.101 C1OCC(C1)COc2ccccc2 1P026GWI [0,1,0,1,0,0|1,0,0]=3 2451 B14R2.101 C1OCC(C1)NCc2ccccc2 1P001TXQ [0,1,0,1,0,0|1,0,0]=3 2452 B14R2.2014 BrCC1CCCCc2c1cccc2 1P0283AG [0,1,0,1,0,0|1,0,0]=3 2453 B14R2.2014 CNC1CCCNc2c1cccc2 1P01DW7F [0,1,0,1,0,0|2,0,0]=4 2454 B14R2.2014 COC1CNCCc2c1cccc2 1P028JHY [0,1,0,1,0,0|1,0,0]=3 2455 B14R2.2014 NCC1CCCCc2c1cccc2 1P028SUO [0,1,0,1,0,0|1,0,0]=3 2456 B14R2.2014 O=CC1CCCCc2c1cccc2 1P019ZVB [0,1,0,1,0,0|0,0,1]=3 2457 B14R2.2014 OCC1CCCCc2c1cccc2 1P0282XM [0,1,0,1,0,0|0,0,0]=2 2458 B14R2.2014 OCC1NCCOc2c1cccc2 1P01EMV9 [0,1,0,1,0,0|1,0,0]=3 2459 B14R2.2839 C1CCCc2c(CNC1)cccc2 1P028PLM [0,1,0,1,0,0|1,0,0]=3 2460 B14R2.3018 C(NC1CC1)CCc2ccccc2 1P01JMIF [0,1,0,1,0,0|1,0,0]=3 2461 B14R2.3018 O(Cc1ccccc1)CCC2OC2 1P00IIM2 [0,1,0,1,0,0|0,0,0]=2 2462 B14R2.3018 O(Cc1ccccc1)CC[C@@H]2OC2 1P004QSQ [0,1,0,1,0,0|0,0,0]=2 2463 B14R2.3019 C1CC(C1)NCCc2ccccn2 1P01B0M1 [0,1,0,1,0,0|2,0,0]=4 2464 B14R2.3019 N(Cc1ccccc1)CC2CCC2 1P00C9AY [0,1,0,1,0,0|1,0,0]=3 2465 B14R2.3019 N(Cc1ccccc1)CC2CCC2 1P028S55 [0,1,0,1,0,0|1,0,0]=3 2466 B14R2.3019 O(Cc1ccccc1)CC2CCN2 1P028ROL [0,1,0,1,0,0|1,0,0]=3 2467 B14R2.3019 O(Cc1ccccc1)CC2COC2 1P0001ZG [0,1,0,1,0,0|1,0,0]=3 2468 B14R2.7150 BrCCN1CCCc2c1cccc2 1P019ZVW [0,1,0,1,0,0|1,0,0]=3 2469 B14R2.7150 C#CCN1CCCc2c1cccc2 1P028IMQ [0,1,0,1,0,0|1,0,1]=4 2470 B14R2.7150 CCCC1NCCc2c1cccc2 1P01AIRB [0,1,0,1,0,0|1,0,0]=3 2471 B14R2.7150 CCCC1NCCc2c1cccc2 1P01FKOC [0,1,0,1,0,0|1,0,0]=3 2472 B14R2.7150 CCNC1CCCc2c1nccc2 1P00H4FA [0,1,0,1,0,0|2,0,0]=4 2473 B14R2.7150 CCSC1CCNc2c1cccc2 1P01BBQO [0,1,0,1,0,0|2,0,0]=4 2474 B14R2.7150 CNCC1OCCc2c1cccc2 1P00BV64 [0,1,0,1,0,0|2,0,0]=4 2475 B14R2.7150 N#CCC1NCCc2c1cccc2 1P00EBUJ [0,1,0,1,0,0|1,0,1]=4 2476 B14R2.7150 N#CCC1OCCc2c1cccc2 1P01BDVH [0,1,0,1,0,0|1,0,1]=4 2477 B14R2.7150 N#CCN1CCCc2c1cccc2 1P00FH7S [0,1,0,1,0,0|1,0,1]=4 2478 B14R2.7150 NCCC1CCOc2c1cccc2 1P01DYZW [0,1,0,1,0,0|1,0,0]=3 2479 B14R2.7150 NCCC1OCCc2c1cccc2 1P01C7KV [0,1,0,1,0,0|1,0,0]=3 2480 B14R2.7150 NCCN1CCCc2c1cccc2 1P007A3L [0,1,0,1,0,0|1,0,0]=3 2481 B14R2.7150 NCCN1CCCc2c1cccc2 1P00H3HA [0,1,0,1,0,0|1,0,0]=3 2482 B14R2.7150 O=C=NC1CCCc2c1cccc2 1P003EWQ [0,1,0,1,0,0|0,0,2]=4 2483 B14R2.7150 O=CCC1CCCc2c1cccc2 1P01ACC3 [0,1,0,1,0,0|0,0,1]=3 2484 B14R2.7150 OCCC1=CCOc2c1cccc2 1P01C31R [0,1,0,1,0,0|0,0,2]=4 2485 B14R2.7150 OCCC1CCCc2c1cccc2 1P00FF9O [0,1,0,1,0,0|0,0,0]=2 2486 B14R2.7150 OCCC1CCNc2c1cccc2 1P01DWXZ [0,1,0,1,0,0|0,0,0]=2 2487 B14R2.7150 OCCN1CCCc2c1cccc2 1P00DKNW [0,1,0,1,0,0|0,0,0]=2 2488 B14R2.7150 OC\C=C\1/CCOc2c1cccc2 1P01BVY7 [0,1,0,1,0,0|0,0,2]=4 2489 B14R2.7150 [N-]=[N+]=NC1CCCc2c1cccc2 1P008J9B [0,1,0,1,0,0|2,0,0]=4 2490 B14R2.112 CCCC1CCc2c(N1)cccc2 1P00GH4Z [0,1,0,1,0,0|1,0,0]=3 2491 B14R2.112 CCOC1CCc2c(O1)cccc2 1P0086PA [0,1,0,1,0,0|2,0,0]=4 2492 B14R2.112 CNCC1CCc2c(C1)cccc2 1P028IOS [0,1,0,1,0,0|2,0,0]=4 2493 B14R2.112 NCCC1CCc2c(C1)cccc2 1P0293B5 [0,1,0,1,0,0|1,0,0]=3 2494 B14R2.112 NCCC1COc2c(O1)cccc2 1P008G2O [0,1,0,1,0,0|2,0,0]=4 2495 B14R2.112 NCCC1COc2c(O1)cccc2 1P00BI6E [0,1,0,1,0,0|2,0,0]=4 2496 B14R2.112 NCCC1CSc2c(O1)cccc2 1P01C4YZ [0,1,0,1,0,0|2,0,0]=4 2497 B14R2.112 NCCN1CCc2c(C1)cccc2 1P00DBXT [0,1,0,1,0,0|2,0,0]=4 2498 B14R2.112 OCCC1CCc2c(N1)cccc2 1P01C4LY [0,1,0,1,0,0|0,0,0]=2 2499 B14R2.112 OCCC1CNc2c(O1)cccc2 1P028E3V [0,1,0,1,0,0|1,0,0]=3 2500 B14R2.112 OCCC1COc2c(O1)cccc2 1P00ECKT [0,1,0,1,0,0|1,0,0]=3 2501 B14R2.112 OCCC1NCc2c(C1)cccc2 1P01EN37 [0,1,0,1,0,0|1,0,0]=3 2502 B14R2.112 OCCN1CCc2c(C1)cccc2 1P004H5B [0,1,0,1,0,0|1,0,0]=3 2503 B14R2.112 OCC[C@H]1NCc2c(C1)cccc2 1P028PNP [0,1,0,1,0,0|1,0,0]=3 2504 B14R2.203 CN[C@@H]1[C@@H](O)CCc2c1cccc2 1P028AC3 [0,1,0,1,0,0|2,0,0]=4 2505 B14R2.203 NCC1N(C)CCc2c1cccc2 1P028CAW [0,1,0,1,0,0|2,0,0]=4 2506 B14R2.436 BrC1CC(C1)OCc2ccccc2 1P001JRB [0,1,0,1,0,0|2,0,0]=4 2507 B14R2.436 Br[C@@H]1C[C@@H](C1)OCc2ccccc2 1P027ZYQ [0,1,0,1,0,0|2,0,0]=4 2508 B14R2.436 Br[C@@H]1C[C@H](C1)OCc2ccccc2 1P01BG2W [0,1,0,1,0,0|2,0,0]=4 2509 B14R2.436 FC1CC(C1)OCc2ccccc2 1P01DLCH [0,1,0,1,0,0|2,0,0]=4 2510 B14R2.436 NC1CC(C1)COc2ccccc2 1P028K9P [0,1,0,1,0,0|2,0,0]=4 2511 B14R2.436 NC1CC(C1)OCc2ccccc2 1P01ACQT [0,1,0,1,0,0|2,0,0]=4 2512 B14R2.436 N[C@@H]1C[C@@H](C1)COc2ccccc2 1P027YP0 [0,1,0,1,0,0|2,0,0]=4 2513 B14R2.436 N[C@@H]1C[C@@H](C1)OCc2ccccc2 1P002J2P [0,1,0,1,0,0|2,0,0]=4 2514 B14R2.436 N[C@@H]1C[C@H](C1)COc2ccccc2 1P028LIZ [0,1,0,1,0,0|2,0,0]=4 2515 B14R2.436 N[C@@H]1C[C@H](C1)OCc2ccccc2 1P00IGOG [0,1,0,1,0,0|2,0,0]=4 2516 B14R2.436 N[C@@H]1C[C@H](C1)OCc2ccccc2 1P00IGOH [0,1,0,1,0,0|2,0,0]=4 2517 B14R2.436 OC1CC(C1)OCc2ccccc2 1P00018P [0,1,0,1,0,0|1,0,0]=3 2518 B14R2.436 O[C@@H]1C[C@@H](C1)OCc2ccccc2 1P002NC5 [0,1,0,1,0,0|1,0,0]=3 2519 B14R2.436 O[C@@H]1C[C@H](C1)OCc2ccccc2 1P00195U [0,1,0,1,0,0|1,0,0]=3 2520 B14R2.598 CC1CC(CN1c2ccccc2)N 1P019ST9 [0,1,0,1,0,0|2,0,0]=4 2521 B14R2.598 CC1NC(CC1c2ccccc2)C 1P019Q80 [0,1,0,1,0,0|2,0,0]=4 2522 B14R2.598 NC1CN(CC1c2ccccc2)C 1P019UKH [0,1,0,1,0,0|2,0,0]=4 2523 B14R2.2899 CC(C1CC1)NCc2ccccc2 1P00HTFC [0,1,0,1,0,0|2,0,0]=4 2524 B14R2.2899 CC(C1CC1)NCc2ccccc2 1P019LN3 [0,1,0,1,0,0|2,0,0]=4 2525 B14R2.2899 O=C([C@@H]1OC1)OCc2ccccc2 1P007QHX [0,1,0,1,0,0|1,0,1]=4 2526 B14R2.2899 O=C([C@H]1OC1)OCc2ccccc2 1P02497S [0,1,0,1,0,0|1,0,1]=4 2527 B14R2.4656 NC1(CCc2ccccc2)CCC1 1P0292KA [0,1,0,1,0,0|1,0,0]=3 2528 B14R2.4656 OC1(CCc2ccccc2)CNC1 1P02854K [0,1,0,1,0,0|2,0,0]=4 2529 B14R2.9718 CNCC1(O)CCc2c1cccc2 1P01C4PN [0,1,0,1,0,0|2,0,0]=4 2530 B14R2.9718 NCCC1(O)CCc2c1cccc2 1P028JD1 [0,1,0,1,0,0|1,0,0]=3 2531 B14R2.19 BrC1CCC(C1)Cc2ccccc2 1P01CAQY [0,1,0,1,0,0|1,0,0]=3 2532 B14R2.19 BrC1CCN(C1)Cc2ccccc2 1P00CL82 [0,1,0,1,0,0|2,0,0]=4 2533 B14R2.19 ClC1CCN(C1)Cc2ccccc2 1P009L47 [0,1,0,1,0,0|2,0,0]=4 2534 B14R2.19 NC1CCC(C1)Cc2ccccc2 1P00HWF4 [0,1,0,1,0,0|1,0,0]=3 2535 B14R2.19 NC1CCN(C1)Cc2ccccc2 1P003EHC [0,1,0,1,0,0|2,0,0]=4 2536 B14R2.19 N[C@@H]1CCN(C1)Cc2ccccc2 1P0078SF [0,1,0,1,0,0|2,0,0]=4 2537 B14R2.19 N[C@H]1CCN(C1)Cc2ccccc2 1P000FKF [0,1,0,1,0,0|2,0,0]=4 2538 B14R2.19 N[C@H]1CCN(C1)Cc2ccccc2 1P0010AZ [0,1,0,1,0,0|2,0,0]=4 2539 B14R2.19 O=C1CCC(C1)Cc2ccccc2 1P00IE0X [0,1,0,1,0,0|0,0,2]=4 2540 B14R2.19 O=C1CCC(N1)Cc2ccccc2 1P00A4OY [0,1,0,1,0,0|0,0,2]=4 2541 B14R2.19 O=C1CCC(O1)Cc2ccccc2 1P01A0ME [0,1,0,1,0,0|0,0,1]=3 2542 B14R2.19 O=C1NCC(O1)Cc2ccccc2 1P01A6AI [0,1,0,1,0,0|1,0,1]=4 2543 B14R2.19 OC1CCN(C1)Cc2ccccc2 1P003T81 [0,1,0,1,0,0|1,0,0]=3 2544 B14R2.19 O[C@@H]1CCN(C1)Cc2ccccc2 1P0006FU [0,1,0,1,0,0|1,0,0]=3 2545 B14R2.19 O[C@H]1CCN(C1)Cc2ccccc2 1P0004TB [0,1,0,1,0,0|1,0,0]=3 2546 B14R2.19 SC1CCN(C1)Cc2ccccc2 1P01AA7X [0,1,0,1,0,0|1,1,0]=4 2547 B14R2.67 CCCNC1Cc2c(C1)cccc2 1P00J2B0 [0,1,0,1,0,0|2,0,0]=4 2548 B14R2.67 NCCCN1Cc2c(C1)cccc2 1P00J1M7 [0,1,0,1,0,0|2,0,0]=4 2549 B14R2.67 OCCCc1nc2c([nH]1)cccc2 1P003IFY [0,1,0,1,0,0|1,0,1]=4 2550 B14R2.67 OCCCc1nc2c(s1)cccc2 1P00CPS7 [0,1,0,1,0,0|1,0,1]=4 2551 B14R2.90 NCC1CC(C1)Cc2ccccc2 1P0280CE [0,1,0,1,0,0|1,0,0]=3 2552 B14R2.90 NCC1CN(C1)Cc2ccccc2 1P019GF5 [0,1,0,1,0,0|2,0,0]=4 2553 B14R2.90 OCC1CC(C1)Cc2ccccc2 1P0281PU [0,1,0,1,0,0|0,0,0]=2 2554 B14R2.90 OCC1CN(C1)Cc2ccccc2 1P006Q0C [0,1,0,1,0,0|1,0,0]=3 2555 B14R2.277 CN1CC[C@H]([C@@H]1c2ccccc2)N 1P028937 [0,1,0,1,0,0|2,0,0]=4 2556 B14R2.287 NC1CCC(c2c(C1)cccc2)C 1P01FKAM [0,1,0,1,0,0|1,0,0]=3 2557 B14R2.287 O=C1CCC(c2c(C1)cccc2)C 1P01DWMC [0,1,0,1,0,0|1,0,1]=4 2558 B14R2.391 O=C1CCCCc2c(C1)cccc2 1P01BU4R [0,1,0,1,0,0|0,0,2]=4 2559 B14R2.391 O=C1CCCCc2c(N1)cccc2 1P007PI7 [0,1,0,1,0,0|0,0,2]=4 2560 B14R2.411 CC1(CCCN1)Cc2ccccc2 1P01AD3N [0,1,0,1,0,0|1,0,0]=3 2561 B14R2.411 NC1(CCCC1)Cc2ccccc2 1P002KOB [0,1,0,1,0,0|1,0,0]=3 2562 B14R2.411 NC1(COCC1)Cc2ccccc2 1P028RSC [0,1,0,1,0,0|2,0,0]=4 2563 B14R2.411 OC1(CCCC1)Cc2ccccc2 1P01AA8Q [0,1,0,1,0,0|1,0,0]=3 2564 B14R2.411 OC1(CNCC1)Cc2ccccc2 1P01BHSG [0,1,0,1,0,0|2,0,0]=4 2565 B14R2.411 OC1(CNCC1)Cc2ccccc2 1P01EMYA [0,1,0,1,0,0|2,0,0]=4 2566 B14R2.517 NCCN1C(C)Cc2c1cccc2 1P019UT3 [0,1,0,1,0,0|2,0,0]=4 2567 B14R2.517 NCCN1C(C)Cc2c1cccc2 1P01A7PE [0,1,0,1,0,0|2,0,0]=4 2568 B14R2.9589 O=C(C1CCC1)Cc2ccccc2 1P01KKUE [0,1,0,1,0,0|1,0,1]=4 2569 B14R2.9593 CN(Cc1ccccc1)CC2OC2 1P00JTI9 [0,1,0,1,0,0|1,0,0]=3 2570 B14R2.2 OC(=O)CC1CCc2c1cccc2 1P00C6QF [0,1,0,1,0,0|0,0,1]=3 2571 B14R2.2 OC(=O)CC1CNc2c1cccc2 1P01AJ24 [0,1,0,1,0,0|1,0,1]=4 2572 B14R2.2 OC(=O)CC1COc2c1cccc2 1P00GD01 [0,1,0,1,0,0|1,0,1]=4 2573 B14R2.2 OC(=O)CC1NCc2c1cccc2 1P028C5V [0,1,0,1,0,0|1,0,1]=4 2574 B14R2.2 OC(=O)CC1OCc2c1cccc2 1P01B2VI [0,1,0,1,0,0|1,0,1]=4 2575 B14R2.2 OC(=O)CN1CCc2c1cccc2 1P019WHB [0,1,0,1,0,0|1,0,1]=4 2576 B14R2.333 CC1(C)CNCC1c2ccccc2 1P01A1TB [0,1,0,1,0,0|2,0,0]=4 2577 B14R2.333 CC1(C)NCCC1c2ccccc2 1P01C44G [0,1,0,1,0,0|2,0,0]=4 2578 B14R2.764 OC(=O)C1CC1Cc2ccccc2 1P007XBN [0,1,0,1,0,0|0,0,1]=3 2579 B14R2.764 OC(=O)[C@@H]1C[C@H]1Oc2ccccc2 1P023SDR [0,1,0,1,0,0|1,0,1]=4 2580 B14R2.764 OC(=O)[C@H]1C[C@@H]1Sc2ccccc2 1P024TSA [0,1,0,1,0,0|1,0,1]=4 2581 B14R2.764 OC(=O)[C@H]1C[C@H]1Sc2ccccc2 1P024TS9 [0,1,0,1,0,0|1,0,1]=4 2582 B14R2.780 OC(=O)C1CCC1c2ccccc2 1P01JUHP [0,1,0,1,0,0|0,0,1]=3 2583 B14R2.780 OC(=O)[C@@H]1CC[C@H]1c2ccccc2 1P01JVLK [0,1,0,1,0,0|0,0,1]=3 2584 B14R2.780 OC(=O)[C@@H]1NC[C@H]1c2ccccc2 1P01EM2L [0,1,0,1,0,0|1,0,1]=4 2585 B14R2.780 OC(=O)[C@H]1CC[C@H]1c2ccccc2 1P01JVLO [0,1,0,1,0,0|0,0,1]=3 2586 B14R2.5495 CC1(C)CCCNc2c1cccc2 1P01A3OK [0,1,0,1,0,0|2,0,0]=4 2587 B14R2.5495 CC1(C)CNCCc2c1cccc2 1P01B5DO [0,1,0,1,0,0|2,0,0]=4 2588 B14R2.31359 CC(C1NCCc2c1cccc2)C 1P00GFVP [0,1,0,1,0,0|2,0,0]=4 2589 B14R2.31359 CC(C1OCCc2c1cccc2)N 1P027VTD [0,1,0,1,0,0|2,0,0]=4 2590 B14R2.31359 C[C@@H](C1CCCc2c1cccc2)N 1P01BE0G [0,1,0,1,0,0|1,0,0]=3 2591 B14R2.31359 C[C@@H](C1CCCc2c1cccc2)O 1P01BE2N [0,1,0,1,0,0|0,0,0]=2 2592 B14R2.31359 C[C@H](C1CCCc2c1cccc2)N 1P01BE2O [0,1,0,1,0,0|1,0,0]=3 2593 B14R2.31359 ClC(C1OCCc2c1cccc2)Cl 1P01FL3H [0,1,0,1,0,0|2,0,0]=4 2594 B14R2.31359 NC(=N)C1CCCc2c1cccc2 1P019ZB6 [0,1,0,1,0,0|1,0,1]=4 2595 B14R2.31359 NC(=S)C1CCCc2c1cccc2 1P00EAEM [0,1,0,1,0,0|0,1,1]=4 2596 B14R2.31359 OC(=O)C1CCCc2c1cccc2 1P002FOB [0,1,0,1,0,0|0,0,1]=3 2597 B14R2.31359 OC(=O)C1CCCc2c1cccn2 1P027L3O [0,1,0,1,0,0|1,0,1]=4 2598 B14R2.31359 OC(=O)C1CCCc2c1nccc2 1P01BF40 [0,1,0,1,0,0|1,0,1]=4 2599 B14R2.31359 OC(=O)C1CCNc2c1cccc2 1P001059 [0,1,0,1,0,0|1,0,1]=4 2600 B14R2.31359 OC(=O)C1CCOc2c1cccc2 1P0029UT [0,1,0,1,0,0|1,0,1]=4 2601 B14R2.31359 OC(=O)C1CCSc2c1cccc2 1P019SKY [0,1,0,1,0,0|1,0,1]=4 2602 B14R2.31359 OC(=O)C1CNCc2c1cccc2 1P000C6W [0,1,0,1,0,0|1,0,1]=4 2603 B14R2.31359 OC(=O)C1CNCc2c1cccc2 1P01C12G [0,1,0,1,0,0|1,0,1]=4 2604 B14R2.31359 OC(=O)C1COCc2c1cccc2 1P00L7H5 [0,1,0,1,0,0|1,0,1]=4 2605 B14R2.31359 OC(=O)C1NCCc2c1cccc2 1P006KI6 [0,1,0,1,0,0|1,0,1]=4 2606 B14R2.31359 OC(=O)C1NCCc2c1cccc2 1P00BXSE [0,1,0,1,0,0|1,0,1]=4 2607 B14R2.31359 OC(=O)C1OCCc2c1cccc2 1P0014ZK [0,1,0,1,0,0|1,0,1]=4 2608 B14R2.31359 OC(=O)C1SCCc2c1cccc2 1P019SRI [0,1,0,1,0,0|1,0,1]=4 2609 B14R2.31359 OC(=O)[C@@H]1CCCc2c1cccc2 1P002NEV [0,1,0,1,0,0|0,0,1]=3 2610 B14R2.31359 OC(=O)[C@@H]1NCCc2c1cccc2 1P001NGY [0,1,0,1,0,0|1,0,1]=4 2611 B14R2.31359 OC(=O)[C@@H]1NCCc2c1cccc2 1P02833Z [0,1,0,1,0,0|1,0,1]=4 2612 B14R2.31359 OC(=O)[C@H]1CCCc2c1cccc2 1P008GD3 [0,1,0,1,0,0|0,0,1]=3 2613 B14R2.31359 OC(=O)[C@H]1NCCc2c1cccc2 1P001NGZ [0,1,0,1,0,0|1,0,1]=4 2614 B14R2.7 NCCN1CCc2c1cccc2Br 1P02818O [0,1,0,1,0,0|2,0,0]=4 2615 B14R2.50 Brc1ccccc1CC2CCCN2 1P01C3VL [0,1,0,1,0,0|1,0,0]=3 2616 B14R2.50 Brc1ccccc1CC2CCCN2 1P01C436 [0,1,0,1,0,0|1,0,0]=3 2617 B14R2.50 Brc1ccccc1CN2CCCC2 1P00GYWH [0,1,0,1,0,0|2,0,0]=4 2618 B14R2.50 Cc1ccccc1CC2CCCN2 1P00I803 [0,1,0,1,0,0|1,0,0]=3 2619 B14R2.50 Cc1ccccc1NC2CCCC2 1P0280RS [0,1,0,1,0,0|2,0,0]=4 2620 B14R2.50 Clc1ccccc1CC2CCCN2 1P00HAYG [0,1,0,1,0,0|1,0,0]=3 2621 B14R2.50 Clc1ccccc1CC2CNCC2 1P01JLV1 [0,1,0,1,0,0|2,0,0]=4 2622 B14R2.50 Fc1ccccc1CC2CCCN2 1P00BZ1U [0,1,0,1,0,0|1,0,0]=3 2623 B14R2.50 Fc1ccccc1CC2CCCN2 1P0283HA [0,1,0,1,0,0|1,0,0]=3 2624 B14R2.50 Fc1ccccc1CC2CNCC2 1P0059YZ [0,1,0,1,0,0|2,0,0]=4 2625 B14R2.50 Fc1ccccc1NC2CCCC2 1P019SNV [0,1,0,1,0,0|2,0,0]=4 2626 B14R2.50 Fc1cnccc1CC2CCCN2 1P0280KL [0,1,0,1,0,0|2,0,0]=4 2627 B14R2.50 Ic1ccccc1NC2CCCC2 1P0283EU [0,1,0,1,0,0|2,0,0]=4 2628 B14R2.50 Nc1ccccc1CN2CCCC2 1P00D9VE [0,1,0,1,0,0|2,0,0]=4 2629 B14R2.50 Nc1ccccc1NC2CCCC2 1P019F1H [0,1,0,1,0,0|2,0,0]=4 2630 B14R2.50 Nc1ccccc1OC2CCCC2 1P002VP8 [0,1,0,1,0,0|2,0,0]=4 2631 B14R2.50 Nc1ccccc1OC2CCCC2 1P019VOU [0,1,0,1,0,0|2,0,0]=4 2632 B14R2.50 Nc1ccccc1SC2CCCC2 1P019MVO [0,1,0,1,0,0|2,0,0]=4 2633 B14R2.50 Oc1ccccc1CC2CNCC2 1P0287P8 [0,1,0,1,0,0|2,0,0]=4 2634 B14R2.143 NCC1CCCc2c(C1)cccc2 1P028MOA [0,1,0,1,0,0|1,0,0]=3 2635 B14R2.296 NC1CCCC1c2ccccc2Cl 1P01A5MZ [0,1,0,1,0,0|1,0,0]=3 2636 B14R2.296 NC1CNCC1c2ccccc2C 1P028E1M [0,1,0,1,0,0|2,0,0]=4 2637 B14R2.296 O=C1CCCC1c2ccccc2Cl 1P000M3Y [0,1,0,1,0,0|0,0,2]=4 2638 B14R2.296 OC1CCCC1c2ccccc2Cl 1P01AIX7 [0,1,0,1,0,0|0,0,0]=2 2639 B14R2.296 OC1CCNC1c2ccccc2C 1P02883U [0,1,0,1,0,0|1,0,0]=3 2640 B14R2.685 NC1CCCOc2c1cccc2Cl 1P01A551 [0,1,0,1,0,0|2,0,0]=4 2641 B14R2.685 NC1CCCOc2c1cccc2F 1P01A5J9 [0,1,0,1,0,0|2,0,0]=4 2642 B14R2.685 O=C1CCCCc2c1cccc2Br 1P00LCCM [0,1,0,1,0,0|0,0,2]=4 2643 B14R2.685 O=C1CCCCc2c1cccc2N 1P00GYUH [0,1,0,1,0,0|0,0,2]=4 2644 B14R2.685 OC1CCCCc2c1cccc2Br 1P01BI3Y [0,1,0,1,0,0|0,0,0]=2 2645 B14R2.685 OC1CCCOc2c1cccc2F 1P01BFRQ [0,1,0,1,0,0|1,0,0]=3 2646 B14R2.685 O[C@@H]1CCCOc2c1cccc2F 1P01BHGU [0,1,0,1,0,0|1,0,0]=3 2647 B14R2.685 O[C@H]1CCCOc2c1cccc2F 1P01BH7Y [0,1,0,1,0,0|1,0,0]=3 2648 B14R2.1078 NCC1CCOc2c1cccc2O 1P028BK5 [0,1,0,1,0,0|2,0,0]=4 2649 B14R2.1158 OCC1CC1=Cc2ccccc2Cl 1P0290KS [0,1,0,1,0,0|0,0,2]=4 2650 B14R2.4622 Clc1ccccc1CNCC2CC2 1P0006IA [0,1,0,1,0,0|2,0,0]=4 2651 B14R2.4622 Clc1ccccc1COCC2CO2 1P019JXQ [0,1,0,1,0,0|1,0,0]=3 2652 B14R2.4622 Fc1ccccc1CNCC2CC2 1P01B6NM [0,1,0,1,0,0|2,0,0]=4 2653 B14R2.4622 Fc1ccccc1COCC2CO2 1P019JXP [0,1,0,1,0,0|1,0,0]=3 2654 B14R2.4634 Fc1ccccc1CNC2CCC2 1P01A05X [0,1,0,1,0,0|2,0,0]=4 2655 B14R2.95 C#CC(C1CCc2c1cccc2)N 1P01FI1J [0,1,0,1,0,0|1,0,1]=4 2656 B14R2.95 NCC(N1CCc2c1cccc2)C 1P01A7MO [0,1,0,1,0,0|2,0,0]=4 2657 B14R2.95 OCC(=O)N1CCc2c1cccc2 1P01A9GI [0,1,0,1,0,0|1,0,1]=4 2658 B14R2.95 OCC(C1CCc2c1cccc2)N 1P01FI9J [0,1,0,1,0,0|0,0,0]=2 2659 B14R2.279 BrC1CCCc2c(C1=O)cccc2 1P002BZ6 [0,1,0,1,0,0|0,0,2]=4 2660 B14R2.279 CC1CCCc2c(C1=O)cccc2 1P01A7GF [0,1,0,1,0,0|0,0,2]=4 2661 B14R2.279 CC1CCCc2c(C1N)cccc2 1P01ACI2 [0,1,0,1,0,0|1,0,0]=3 2662 B14R2.958 BrCC(=O)[C@@H]1C[C@H]1c2ccccc2 1P028B3F [0,1,0,1,0,0|1,0,1]=4 2663 B14R2.3459 C#CC1(O)CCCc2c1cccc2 1P005AAE [0,1,0,1,0,0|1,0,1]=4 2664 B14R2.3459 NCC1(C)CCCc2c1cccc2 1P01A4V7 [0,1,0,1,0,0|1,0,0]=3 2665 B14R2.3459 NCC1(C)CCOc2c1cccc2 1P0284F8 [0,1,0,1,0,0|2,0,0]=4 2666 B14R2.3459 NCC1(C)OCCc2c1cccc2 1P01BSL7 [0,1,0,1,0,0|2,0,0]=4 2667 B14R2.3459 NCC1(O)CCCc2c1cccc2 1P00DAIM [0,1,0,1,0,0|1,0,0]=3 2668 B14R2.3459 NCC1(O)CCOc2c1cccc2 1P001EJ2 [0,1,0,1,0,0|2,0,0]=4 2669 B14R2.3459 OCC1(C)CCCc2c1cccc2 1P01EN39 [0,1,0,1,0,0|0,0,0]=2 2670 B14R2.3459 OCC1(N)CCCc2c1cccc2 1P01B8MM [0,1,0,1,0,0|0,0,0]=2 2671 B14R2.3459 OCC1(N)CCOc2c1cccc2 1P01B8MK [0,1,0,1,0,0|1,0,0]=3 2672 B14R2.3459 OCC1(O)CCCc2c1cccc2 1P01B9MD [0,1,0,1,0,0|0,0,0]=2 2673 B14R2.4881 OC1(CCOc2ccccc2)CC1 1P019UJ4 [0,1,0,1,0,0|2,0,0]=4 2674 B14R3.7 NC1CC12CCc3c2cccc3 1P009G5I [0,0,0,2,0,0|1,0,0]=3 2675 B14R3.49 C1CC2C(C1)c3c(N2)cccc3 1P00G4EQ [0,0,0,2,0,0|1,0,0]=3 2676 B14R3.2531 N1CC2CC(C1)c3c2cccc3 1P002MJ3 [0,0,0,2,0,0|2,0,0]=4 2677 B14R3.2531 N1CC2OC(C1)c3c2cccc3 1P028313 [0,0,0,2,0,0|1,0,0]=3 2678 B14R3.3059 C1CC2(C1)CNc3c2cccc3 1P00D171 [0,0,0,2,0,0|2,0,0]=4 2679 B14R3.3059 C1CC2(C1)CNc3c2cccc3 1P01BDQS [0,0,0,2,0,0|2,0,0]=4 2680 B14R3.3059 C1CC2(C1)NCc3c2cccc3 1P027WXQ [0,0,0,2,0,0|2,0,0]=4 2681 B14R3.17744 NCC1C2C1c3c(C2)cccc3 1P01A1JM [0,0,0,2,0,0|1,0,0]=3 2682 B14R3.44 c1ccc(cc1)[C@H]2NC[C@@H]3[C@H]2C3 1P028IKR [0,0,0,2,0,0|1,0,0]=3 2683 B14R3.2544 c1ccc2c(c1)[C@@H]3CC[C@H]2CN3 1P0292Q0 [0,0,0,2,0,0|1,0,0]=3 2684 B14R3.2936 c1ccc(cc1)[C@]23CNC[C@H]2C3 1P028PKH [0,0,0,2,0,0|2,0,0]=4 2685 B14R3.6343 NC1C2C1c3ccccc3CC2 1P01A1ND [0,0,0,2,0,0|1,0,0]=3 2686 B14R3.52 c1ccc2c(c1)[C@@H]3NC[C@@H]3CC2 1P028IY1 [0,0,0,2,0,0|2,0,0]=4 2687 B14R3.3058 c1ccc2c(c1)CNCC23CC3 1P01AFQG [0,0,0,2,0,0|2,0,0]=4 2688 B14R3.3058 c1ccc2c(c1)NCCC23CC3 1P01AFGT [0,0,0,2,0,0|2,0,0]=4 2689 B10R1.21 CCCCCc1ccco1 1P003IAW [1,0,0,0,1,0|1,0,0]=3 2690 B10R1.21 CCCCCc1cccs1 1P003BQ3 [1,0,0,0,1,0|1,0,0]=3 2691 B10R1.21 CCCCCn1cncc1 1P002BF5 [1,0,0,0,1,0|2,0,0]=4 2692 B10R1.21 CCCNCc1ccco1 1P00C926 [1,0,0,0,1,0|2,0,0]=4 2693 B10R1.21 CCCNCc1cscc1 1P00J4JU [1,0,0,0,1,0|2,0,0]=4 2694 B10R1.21 CCNCCc1cccs1 1P019MCF [1,0,0,0,1,0|2,0,0]=4 2695 B10R1.21 CNCCCc1ccco1 1P001ZKU [1,0,0,0,1,0|2,0,0]=4 2696 B10R1.21 NCCCCc1cccs1 1P028R9O [1,0,0,0,1,0|2,0,0]=4 2697 B10R1.21 OCCCCc1nccs1 1P01B9VS [1,0,0,0,1,0|2,0,0]=4 2698 B10R1.21 OCCCCn1cncc1 1P00FEIR [1,0,0,0,1,0|2,0,0]=4 2699 B10R1.21 OCCNCc1ccco1 1P00DD4H [1,0,0,0,1,0|2,0,0]=4 2700 B10R1.21 OCCNCc1cccs1 1P006GE7 [1,0,0,0,1,0|2,0,0]=4 2701 B10R1.21 OCCNCc1cscc1 1P01A8LS [1,0,0,0,1,0|2,0,0]=4