0 B10R1.17 C#CCSc1ccccc1 CSC000172648 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 C=CCSc1ccccc1 CSC000006400 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CCCSc1ccccc1 CSC000005822 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,0,0,0,0,0|1,1,1]=3 4 B10R1.17 COCSc1ccccc1 CSC000000817 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CSCCc1ccncc1 CSC015420737 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 OCCSc1ccccc1 CSC000230494 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,1,0,0,0,0|1,1,1]=4 13 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,1,0,0,0,0|1,1,1]=4 14 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,1,0,0,0,0|1,1,1]=4 15 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,1,0,0,0,0|1,1,1]=4 16 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.17 Brc1ccccc1OCC=C CSC000173964 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.17 CCNCc1ccccc1F CSC000201217 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [0,1,0,0,0,0|1,1,1]=4 25 B11R1.17 Cc1ccccc1NCC=C CSC011613358 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.17 Cc1ccccc1OCC=C CSC000172067 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.17 Clc1ccccc1OCC=C CSC000172057 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.17 Fc1ccccc1OCC=C CSC000173442 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [0,1,0,0,0,0|1,1,1]=4 32 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [0,1,0,0,0,0|1,1,1]=4 33 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [0,1,0,0,0,0|1,1,1]=4 34 B11R1.28 CC#CCNc1ccccc1 CSC011641403 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,1,0,0,0,0|1,1,1]=4 38 B11R1.28 COCCOc1ccccc1 CSC000757042 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.28 COCCSc1ccccc1 CSC025761232 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,1,0,0,0,0|1,1,1]=4 41 B11R1.28 CSCCOc1ccccc1 CSC000148400 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,1,0,0,0,0|0,1,2]=4 46 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,1,0,0,0,0|0,0,0]=1 53 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [0,1,0,0,0,0|1,1,1]=4 54 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.91 NC(=O)CSc1ccccn1 CSC000149794 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|0,1,1]=4 62 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|0,1,1]=4 63 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|0,1,1]=4 64 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|0,1,1]=4 67 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|0,1,1]=4 68 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|0,1,1]=4 71 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|0,1,1]=4 72 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|0,1,0]=3 73 B10R1.66 CC(=O)NCc1cccs1 CSC000154743 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.21 CC(=O)CSc1ccc(cc1)C CSC000172844 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.21 CC(=O)CSc1ccc(cc1)F CSC000148136 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.21 CC(=O)NCc1ccc(cc1)C CSC000154265 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.21 CC(=O)NCc1ccc(cc1)Cl CSC000152849 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.21 CC(=O)NCc1ccc(cc1)F CSC000152308 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.21 CC(=O)NNc1ccc(cc1)Br CSC009815283 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.21 CC(=O)NNc1ccc(cc1)C CSC000002330 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.21 Cc1ccc(cc1)CNC(=O)N CSC000238954 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.21 Cc1ccc(cc1)SCC(=O)N CSC000149676 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.21 NC(=O)CCc1ccc(cc1)Cl CSC000022186 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.21 NC(=O)COc1ccc(cc1)Br CSC000150415 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.21 NC(=O)COc1ccc(cc1)F CSC000150549 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.21 NC(=O)CSc1ccc(cc1)Cl CSC000150469 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.21 NC(=O)NCc1ccc(cc1)F CSC000238953 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.125 CC(=O)NCc1ccccc1Br CSC011237613 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.125 CC(=O)NCc1ccccc1Cl CSC000155626 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.125 CC(=O)NCc1cnccc1C CSC013037028 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.125 CC(=O)NNc1ccccc1C CSC015226515 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.125 CC(=O)OCc1ccncc1Cl CSC009843883 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.125 Cc1ccccc1OCC(=O)N CSC000150533 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.125 NC(=O)COc1ccccc1Cl CSC000150432 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.125 NC(=O)COc1ccccc1F CSC000150391 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.125 NC(=O)COc1ccccc1O CSC000162348 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.125 NC(=O)NNc1ccccc1Cl CSC000022921 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.125 OC(=O)COc1ccccc1F CSC000182486 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.226 CC(=O)NCc1cccc(c1)C CSC011222369 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.226 NC(=O)COc1cccc(c1)Cl CSC000150646 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.226 NC(=O)NCc1cccc(c1)Cl CSC000238944 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.27 CCC(=O)NCc1ccncc1 CSC000154908 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.27 CNC(=O)NCc1ccccn1 CSC000233842 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.27 CNC(=O)NCc1cccnc1 CSC000233843 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.27 CNC(=O)NCc1ccncc1 CSC000235220 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.27 NNC(=O)COc1ccccc1 CSC000186219 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.27 NNC(=O)CSc1ccccc1 CSC000189974 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,2,0,0,0,0|0,1,0]=3 146 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,2,0,0,0,0|0,0,0]=2 148 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,2,0,0,0,0|0,1,0]=3 150 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.252 NC(=O)NN=Cc1ccccc1 CSC000163793 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.43 CN(Cc1ccccc1)C(=O)N CSC000238888 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.891 CS(=O)(=O)NCc1ccccc1 CSC000169538 [0,2,0,0,0,0|2,0,0]=4