0 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 CC(=O)NCc1ccncn1 AIFCHEM-94605339593 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 CC(=O)NCc1cnccn1 AIFCHEM-94535589218 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.27 C#CC(=O)NCc1cccnc1 AIFCHEM-94525198393 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,1,0,0,0,0|2,0,0]=3 6 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.27 O=C(CO)NCc1cnccn1 AIFCHEM-94604424653 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.226 CC(=O)NCc1cccc(n1)C AIFCHEM-5718068665 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.226 CC(=O)NCc1cncc(c1)C AIFCHEM-94535591610 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [0,0,0,0,1,0|2,0,1]=4 17 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.66 CC(=O)NCc1ccc[nH]1 AIFCHEM-94605343937 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [0,0,0,0,0,1|2,0,1]=4 21 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [0,0,0,0,0,1|2,0,1]=4 22 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [0,0,0,0,0,1|2,0,0]=3 24 B12R1.252 NC(=O)CNCc1cnccn1 AIFCHEM-94550118789 [0,0,0,0,0,1|3,0,0]=4 25 B12R1.252 NC(=O)CNCc1ncccn1 AIFCHEM-94550117105 [0,0,0,0,0,1|3,0,0]=4 26 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,0,0,0,0,1|1,0,0]=2 27 B12R1.252 O=C(O)CNCc1cncnc1 AIFCHEM-5888748286 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [0,1,0,0,1,0|2,0,0]=4 29 B11R1.86 CC(=O)Nc1ccccc1F AIFCHEM-6022739701 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.86 CC(=O)Nc1ccccc1I AIFCHEM-94605354755 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.86 CC(=O)Nc1ccccc1O AIFCHEM-94605355387 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [0,1,0,0,1,0|2,0,0]=4 35 B13R1.45 NC(=O)CNC(=O)c1ccccc1 AIFCHEM-94550128274 [0,1,0,0,0,1|1,0,1]=4 36 B13R1.149 CC(O)CNCc1cccc(c1)I AIFCHEM-6472397370 [0,1,0,0,0,1|1,0,1]=4 37 B13R1.149 C[C@@H](O)CNCc1cccc(c1)I AIFCHEM-6491308892 [0,1,0,0,0,1|1,0,1]=4 38 B13R1.149 C[C@H](O)CNCc1cccc(c1)I AIFCHEM-6492983779 [0,1,0,0,0,1|1,0,1]=4 39 B13R1.149 NC(=O)CNCc1cccc(n1)Cl AIFCHEM-94550118549 [0,1,0,0,0,1|2,0,0]=4 40 B13R1.149 O=C(O)CNCc1cc(ccn1)Br AIFCHEM-94542882037 [0,1,0,0,0,1|1,0,0]=3 41 B13R1.149 O=C(O)CNCc1cccc(c1)Cl AIFCHEM-94542885656 [0,1,0,0,0,1|0,0,0]=2 42 B13R1.149 O=C(O)CNCc1cccc(n1)F AIFCHEM-94542883342 [0,1,0,0,0,1|1,0,0]=3 43 B13R1.158 CC(O)CNCc1ccccc1Br AIFCHEM-6466407006 [0,1,0,0,0,1|1,0,1]=4 44 B13R1.158 CC(O)CNCc1ccccc1O AIFCHEM-94558286349 [0,1,0,0,0,1|1,0,1]=4 45 B13R1.158 C[C@@H](O)CNCc1ccccc1Br AIFCHEM-6499628157 [0,1,0,0,0,1|1,0,1]=4 46 B13R1.158 C[C@@H](O)CNCc1ccccc1O AIFCHEM-94532463768 [0,1,0,0,0,1|1,0,1]=4 47 B13R1.158 C[C@H](O)CNCc1ccccc1Br AIFCHEM-6493229318 [0,1,0,0,0,1|1,0,1]=4 48 B13R1.158 C[C@H](O)CNCc1ccccc1O AIFCHEM-94532463769 [0,1,0,0,0,1|1,0,1]=4 49 B13R1.158 Cc1cccnc1CNCC(=O)N AIFCHEM-94550118659 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.158 NC(=O)CNCc1ccccc1F AIFCHEM-94550118098 [0,1,0,0,0,1|1,0,0]=3 51 B13R1.158 NC(=O)CNCc1ccccc1O AIFCHEM-94550120374 [0,1,0,0,0,1|1,0,0]=3 52 B13R1.158 NC(=O)CNCc1cccnc1O AIFCHEM-94541098548 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.158 NC(=O)CNCc1ccncc1Cl AIFCHEM-94550119605 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.158 NC(=O)CNCc1cnccc1Cl AIFCHEM-94550114602 [0,1,0,0,0,1|2,0,0]=4 55 B13R1.158 NC(=O)CNCc1ncccc1Br AIFCHEM-94550117918 [0,1,0,0,0,1|2,0,0]=4 56 B13R1.158 NC(=O)CNCc1ncccc1F AIFCHEM-94550117336 [0,1,0,0,0,1|2,0,0]=4 57 B13R1.158 O=C(O)CNCc1ccccc1O AIFCHEM-94532467001 [0,1,0,0,0,1|0,0,0]=2 58 B13R1.158 O=C(O)CNCc1cccnc1O AIFCHEM-94541104874 [0,1,0,0,0,1|1,0,0]=3 59 B13R1.158 O=C(O)CNCc1ccncc1Br AIFCHEM-5979059449 [0,1,0,0,0,1|1,0,0]=3 60 B13R1.158 O=C(O)CNCc1ccncc1F AIFCHEM-94542884707 [0,1,0,0,0,1|1,0,0]=3 61 B13R1.158 O=C(O)CNCc1cnccc1Br AIFCHEM-94542881426 [0,1,0,0,0,1|1,0,0]=3 62 B13R1.158 O=C(O)CNCc1ncccc1Br AIFCHEM-94542884723 [0,1,0,0,0,1|1,0,0]=3 63 B13R1.348 CN(CC(=O)N)Cc1cccnc1 AIFCHEM-94564510415 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.348 CN(CC(=O)O)Cc1ccncn1 AIFCHEM-94554258431 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.351 CC(NCc1ccccn1)C(=O)N AIFCHEM-94533815579 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.351 CC(NCc1ccccn1)C(=O)O AIFCHEM-5925680065 [0,1,0,0,0,1|1,0,0]=3 67 B13R1.351 CC(NCc1ccncc1)C(=O)N AIFCHEM-94533821178 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.351 CC(NCc1cncnc1)C(=O)O AIFCHEM-5965063463 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.351 CC(NCc1ncccn1)C(=O)O AIFCHEM-5977276842 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N AIFCHEM-5944531962 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)O AIFCHEM-5953478126 [0,1,0,0,0,1|1,0,0]=3 72 B13R1.351 C[C@@H](NCc1cccnn1)C(=O)O AIFCHEM-5951697881 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.351 C[C@@H](NCc1ccncc1)C(=O)N AIFCHEM-94551555100 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.351 C[C@@H](NCc1ncccn1)C(=O)O AIFCHEM-5941199599 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.351 C[C@H](NCc1ccccn1)C(=O)N AIFCHEM-5743691131 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O AIFCHEM-5779044733 [0,1,0,0,0,1|1,0,0]=3 77 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O AIFCHEM-94576653562 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.351 C[C@H](NCc1ccncc1)C(=O)N AIFCHEM-5691199121 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O AIFCHEM-94576648761 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O AIFCHEM-94576651738 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.513 Cc1cnc(cn1)CNCC(=O)O AIFCHEM-94542885139 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.513 NC(=O)CNCc1ccc(cn1)Br AIFCHEM-94550117334 [0,1,0,0,0,1|2,0,0]=4 83 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl AIFCHEM-94542881087 [0,1,0,0,0,1|0,0,0]=2 84 B13R1.718 CNC(=O)CNCc1ccncc1 AIFCHEM-94562545745 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.718 COC(=O)CNCc1ccncc1 AIFCHEM-6212392937 [0,1,0,0,0,1|1,0,0]=3 86 B13R1.718 OCC(O)CNCc1ccccc1 AIFCHEM-5834193117 [0,1,0,0,0,1|0,0,2]=4 87 B13R1.718 OC[C@@H](O)CNCc1ccccc1 AIFCHEM-94590563845 [0,1,0,0,0,1|0,0,2]=4 88 B13R1.3 CC(=O)NCc1ccc(cc1)C#N AIFCHEM-94535592120 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.3 CCc1ccc(cc1)CNC(=O)C AIFCHEM-94605355910 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.14 Cc1ccc(cn1)CNC(=O)CO AIFCHEM-94532683707 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.14 O=C(CO)NCc1ccc(cn1)Br AIFCHEM-94532676354 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.132 CC(=O)NC(C)c1ccc(cc1)Br AIFCHEM-5787514248 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)Br AIFCHEM-94605351492 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O AIFCHEM-94605335334 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br AIFCHEM-5772270039 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)O AIFCHEM-5627835211 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O AIFCHEM-5781434716 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.164 CC(=O)NCc1ccc(cc1C)Br AIFCHEM-94574541023 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.164 CC(=O)NCc1ccc(cc1C)C AIFCHEM-94605357867 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.164 CC(=O)NCc1ccc(cc1Cl)Cl AIFCHEM-94535599161 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.164 CC(=O)NCc1ccc(cc1F)C AIFCHEM-94535599453 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.164 CC(=O)NCc1ccc(cc1O)Br AIFCHEM-94605348591 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.164 CC(=O)NCc1ccc(cc1O)F AIFCHEM-94535600212 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br AIFCHEM-94590031293 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F AIFCHEM-5841829334 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl AIFCHEM-94605355739 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F AIFCHEM-6047279791 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O AIFCHEM-94535592243 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.11 CC(NC(=O)CO)c1ccncc1 AIFCHEM-94532678716 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.11 C[C@@H](NC(=O)CO)c1ccncc1 AIFCHEM-5660659082 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.11 C[C@H](NC(=O)CO)c1ccncc1 AIFCHEM-94567331355 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.15 C#CC(=O)NCc1cccc(c1)O AIFCHEM-94525201626 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.15 CCC(=O)NCc1cccc(c1)O AIFCHEM-94526510073 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.15 Cc1cccc(n1)CNC(=O)CO AIFCHEM-5766022009 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.15 O=C(CO)NCc1cccc(c1)Br AIFCHEM-94532674370 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.42 COCC(=O)NCc1cccnc1 AIFCHEM-6237937685 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.42 COCC(=O)NCc1ccncc1 AIFCHEM-94574678558 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.528 C#CC(=O)NCc1ccccc1C AIFCHEM-94525203031 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.528 C#CC(=O)NCc1ccccc1Cl AIFCHEM-94525203032 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.528 C#CC(=O)NCc1ccccc1O AIFCHEM-94592072286 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.528 O=C(CO)NCc1ccccc1Br AIFCHEM-5867710510 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.528 O=C(CO)NCc1ccccc1I AIFCHEM-94532682311 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.528 O=C(CO)NCc1ccccc1O AIFCHEM-94532675766 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.528 O=C(CO)NCc1ccncc1Br AIFCHEM-94532679734 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.528 O=C(CO)NCc1ncccc1Br AIFCHEM-94532674587 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.528 O=C(CO)NCc1ncccc1Cl AIFCHEM-94532683009 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl AIFCHEM-94535596079 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.202 CC(=O)N(C)Cc1ccccc1O AIFCHEM-94535597948 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.147 CC(=O)N[C@@H](C)c1cccc(c1)O AIFCHEM-94586561523 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)O AIFCHEM-94535600030 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.201 CC(=O)NC(C)c1ccccc1C AIFCHEM-6031738269 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.201 CC(=O)NC(C)c1ccccc1O AIFCHEM-94603821401 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1C AIFCHEM-94549756172 [0,2,0,0,0,0|2,0,0]=4 138 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1O AIFCHEM-94543560091 [0,2,0,0,0,0|2,0,0]=4 139 B13R1.201 CC(=O)N[C@H](C)c1ccccc1C AIFCHEM-94535588497 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O AIFCHEM-94535590096 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.150 CC(=O)NCc1cccc(c1Cl)F AIFCHEM-94605355735 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.150 CC(=O)NCc1cccc(c1O)Br AIFCHEM-94605347587 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.150 CC(=O)NCc1cccc(c1O)C AIFCHEM-94605348593 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.150 CC(=O)NCc1cccc(c1O)F AIFCHEM-94535593612 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.150 CC(=O)NCc1cccc(c1O)O AIFCHEM-94535589508 [0,2,0,0,0,0|2,0,0]=4 146 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl AIFCHEM-94570248829 [0,2,0,0,0,0|2,0,0]=4 147 B13R1.893 CC(=O)NCc1cc(ccc1F)Br AIFCHEM-94605348980 [0,2,0,0,0,0|2,0,0]=4 148 B13R1.893 CC(=O)NCc1cc(ccc1O)Br AIFCHEM-94535592844 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.893 CC(=O)NCc1cc(ccc1O)C AIFCHEM-94577951124 [0,2,0,0,0,0|2,0,0]=4 150 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl AIFCHEM-94535596130 [0,2,0,0,0,0|2,0,0]=4 151 B13R1.893 CC(=O)NCc1cc(ccc1O)F AIFCHEM-94535589094 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.3787 CC(=O)NCc1c(cccc1Br)O AIFCHEM-94535594124 [0,2,0,0,0,0|2,0,0]=4 153 B13R1.3787 CC(=O)NCc1c(cccc1F)C AIFCHEM-6163991500 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.3787 CC(=O)NCc1c(cccc1F)O AIFCHEM-94535593728 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.3420 CC(=O)NCc1cc(cc(c1)C)C AIFCHEM-5610552638 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)O AIFCHEM-6203779326 [0,2,0,0,0,0|2,0,0]=4 157 B13R2.72 CC(=O)N1CCc2c1cncc2 AIFCHEM-5724062776 [0,0,0,1,0,1|2,0,0]=4 158 B13R2.72 CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [0,0,0,1,0,1|2,0,0]=4 159 B13R2.435 CC(=O)N1Cc2ccccc2C1 AIFCHEM-94605352066 [0,1,0,1,0,0|2,0,0]=4