0 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.17 CCCNc1ncccn1 AIFCHEM-94569009150 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 CCNc1ccnnc1 AIFCHEM-94537418084 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [0,1,0,0,0,0|0,0,2]=3 6 B11R1.1 CCCNc1ccc(cn1)I AIFCHEM-94569015081 [0,1,0,0,0,0|1,0,2]=4 7 B11R1.1 CCCNc1ccc(nc1)C AIFCHEM-94569017543 [0,1,0,0,0,0|1,0,2]=4 8 B11R1.1 CCCNc1ccc(nc1)F AIFCHEM-94569014315 [0,1,0,0,0,0|1,0,2]=4 9 B11R1.17 CCCNc1ccccc1F AIFCHEM-94569019341 [0,1,0,0,0,0|0,0,2]=3 10 B11R1.17 CCCNc1cccnc1C AIFCHEM-94569017542 [0,1,0,0,0,0|1,0,2]=4 11 B11R1.17 CCCNc1cccnc1O AIFCHEM-94569017482 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.17 CCCNc1cnccc1C AIFCHEM-94569017546 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.17 CCCNc1ncccc1C AIFCHEM-94569013329 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.17 CCCNc1ncccc1O AIFCHEM-94569013697 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.24 CCCNc1cc(ccn1)C AIFCHEM-94569021601 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.24 CCCNc1cc(ccn1)Cl AIFCHEM-94569014823 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.24 CCCNc1cccc(c1)Br AIFCHEM-94552679825 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.24 CCCNc1cccc(c1)F AIFCHEM-94579349397 [0,1,0,0,0,0|0,0,2]=3 19 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.28 FCCNCc1ccccn1 AIFCHEM-5801248605 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.28 N#CCNCc1ccccn1 AIFCHEM-94558702348 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.91 CC(C)CNc1ccccn1 AIFCHEM-94572981495 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.91 CC(C)CNc1cccnc1 AIFCHEM-94572981207 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|0,0,2]=4 25 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|0,0,1]=3 26 B10R1.1 CCNc1ccc(nc1)Br AIFCHEM-94537414731 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.1 CCNc1ccc(nc1)F AIFCHEM-94537417232 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|0,0,2]=4 30 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|0,0,1]=3 31 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|0,0,1]=3 32 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.10 CCNc1cccc(n1)Br AIFCHEM-94537417741 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.10 CCNc1cccc(n1)Cl AIFCHEM-94537421828 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.10 CCNc1cncc(c1)Br AIFCHEM-94537414734 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.10 CCNc1cncc(c1)Cl AIFCHEM-94537418676 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.10 CCNc1cncc(c1)O AIFCHEM-94532888502 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|0,0,2]=4 50 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.1 CCCCNc1ccc(cc1)C AIFCHEM-94523028188 [0,2,0,0,0,0|0,0,2]=4 52 B12R1.1 CCCCNc1ccc(cc1)F AIFCHEM-94523042368 [0,2,0,0,0,0|0,0,2]=4 53 B12R1.1 Cc1ccc(cc1)CNCCF AIFCHEM-5861558895 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.1 FCCNCc1ccc(cc1)Cl AIFCHEM-5800462737 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.1 FCCNCc1ccc(cc1)I AIFCHEM-5853759708 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.1 N#CCNCc1ccc(cc1)I AIFCHEM-94558703521 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.1 OCCNCc1ccc(cc1)O AIFCHEM-6411472161 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,2,0,0,0,0|0,0,2]=4 59 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,2,0,0,0,0|0,0,2]=4 60 B12R1.49 CC(CO)Nc1ccc(cc1)F AIFCHEM-94552015989 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.69 CCCNc1ccc(cc1Br)Br AIFCHEM-94569020646 [0,2,0,0,0,0|0,0,2]=4 62 B12R1.69 CCCNc1ccc(cc1Br)Cl AIFCHEM-94569023399 [0,2,0,0,0,0|0,0,2]=4 63 B12R1.69 CCCNc1ccc(cc1Br)I AIFCHEM-94569016947 [0,2,0,0,0,0|0,0,2]=4 64 B12R1.69 CCCNc1ccc(cc1C)O AIFCHEM-94569016792 [0,2,0,0,0,0|0,0,2]=4 65 B12R1.69 CCCNc1ccc(cc1Cl)C AIFCHEM-94569020647 [0,2,0,0,0,0|0,0,2]=4 66 B12R1.69 CCCNc1ccc(cc1I)C AIFCHEM-94569016914 [0,2,0,0,0,0|0,0,2]=4 67 B12R1.69 CCCNc1ccc(cc1O)Cl AIFCHEM-94569016810 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.71 CCCNc1ccc(cc1)OC AIFCHEM-94569015005 [0,2,0,0,0,0|0,0,2]=4 69 B12R1.385 CCCNc1ccc(c(c1)Br)Cl AIFCHEM-94569022782 [0,2,0,0,0,0|0,0,2]=4 70 B12R1.385 CCCNc1ccc(c(c1)C)Br AIFCHEM-94569015014 [0,2,0,0,0,0|0,0,2]=4 71 B12R1.385 CCCNc1ccc(c(c1)Cl)Br AIFCHEM-94569015441 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.385 CCCNc1ccc(c(c1)I)Cl AIFCHEM-94569020145 [0,2,0,0,0,0|0,0,2]=4 73 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,2,0,0,0,0|0,0,2]=4 75 B12R1.25 CCCNc1cccc(c1C)Br AIFCHEM-94585196993 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.25 CCCNc1cccc(c1C)C AIFCHEM-94569023327 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.25 CCCNc1cccc(c1F)C AIFCHEM-94569014814 [0,2,0,0,0,0|0,0,2]=4 78 B12R1.25 CCCNc1cccc(c1O)Br AIFCHEM-94569016759 [0,2,0,0,0,0|0,0,2]=4 79 B12R1.121 CCCNc1ccccc1SC AIFCHEM-94569016982 [0,2,0,0,0,0|0,0,2]=4 80 B12R1.125 CC(C)CNc1ccccc1F AIFCHEM-94582105931 [0,2,0,0,0,0|0,0,2]=4 81 B12R1.267 CCCNCc1ccccc1Cl AIFCHEM-94555005997 [0,2,0,0,0,0|0,0,2]=4 82 B12R1.267 CCCNCc1ccccc1O AIFCHEM-94592060285 [0,2,0,0,0,0|0,0,2]=4 83 B12R1.267 N#CCNCc1ccccc1Br AIFCHEM-94558707092 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.267 N#CCNCc1ccccc1F AIFCHEM-94558705901 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.267 N#CCNCc1ccccc1O AIFCHEM-94532467514 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.267 OCCNCc1ccccc1O AIFCHEM-94532459344 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.267 Oc1ccccc1CNCCF AIFCHEM-94532465977 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.371 CC(CO)Nc1ccccc1O AIFCHEM-94521333642 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.374 CCCNc1cc(ccc1Br)Br AIFCHEM-94570336825 [0,2,0,0,0,0|0,0,2]=4 90 B12R1.374 CCCNc1cc(ccc1Br)I AIFCHEM-94569009317 [0,2,0,0,0,0|0,0,2]=4 91 B12R1.374 CCCNc1cc(ccc1C)Br AIFCHEM-94569018213 [0,2,0,0,0,0|0,0,2]=4 92 B12R1.374 CCCNc1cc(ccc1Cl)C AIFCHEM-94569024602 [0,2,0,0,0,0|0,0,2]=4 93 B12R1.374 CCCNc1cc(ccc1F)Cl AIFCHEM-94569015331 [0,2,0,0,0,0|0,0,2]=4 94 B12R1.374 CCCNc1cc(ccc1F)O AIFCHEM-94569020737 [0,2,0,0,0,0|0,0,2]=4 95 B12R1.374 CCCNc1cc(ccc1O)Br AIFCHEM-94569018465 [0,2,0,0,0,0|0,0,2]=4 96 B12R1.374 CCCNc1cc(ccc1O)O AIFCHEM-94569015160 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.28 CCCCNc1cccc(c1)Br AIFCHEM-94552679827 [0,2,0,0,0,0|0,0,2]=4 98 B12R1.28 CCCCNc1cccc(c1)I AIFCHEM-94523040021 [0,2,0,0,0,0|0,0,2]=4 99 B12R1.28 CCCNCc1cccc(c1)O AIFCHEM-94569022018 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.28 Cc1cccc(c1)CNCC#N AIFCHEM-94558706853 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.28 N#CCNCc1cccc(c1)F AIFCHEM-94558705933 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.28 N#CCNCc1cccc(c1)I AIFCHEM-94558707245 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.50 CC(CO)Nc1cccc(c1)Cl AIFCHEM-94523487703 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.100 CCCNc1cc(cc(c1)Br)Cl AIFCHEM-94569024749 [0,2,0,0,0,0|0,0,2]=4 105 B12R1.100 CCCNc1cc(cc(c1)F)F AIFCHEM-94569017963 [0,2,0,0,0,0|0,0,2]=4 106 B12R1.100 CCCNc1cc(cc(c1)I)I AIFCHEM-94569017682 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.100 CCCNc1cc(cc(c1)O)C AIFCHEM-94569022321 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.382 CCCNc1cccc(c1)C#N AIFCHEM-94571669059 [0,2,0,0,0,0|0,0,2]=4 109 B12R1.8 O=COCNCc1cccnc1 AIFCHEM-94595107182 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,2,0,0,0,0|0,0,2]=4 114 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.2 c1ccc(cc1)c2ccoc2 AIFCHEM-94590917358 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.8 CCNc1ccsc1 AIFCHEM-94568866699 [1,0,0,0,1,0|1,0,1]=4