0 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCNc1ncccn1 AIFCHEM-94569009150 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CCNCc1cnccn1 AIFCHEM-94537417821 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 OCC=Cc1cccnn1 AIFCHEM-6295998276 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 CCNc1ccnnc1 AIFCHEM-94537418084 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.1 CCCNc1ccc(cn1)I AIFCHEM-94569015081 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.1 CCCNc1ccc(nc1)C AIFCHEM-94569017543 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.1 CCCNc1ccc(nc1)F AIFCHEM-94569014315 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.1 CCNCc1ccc(cn1)F AIFCHEM-94537422895 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.1 CCNCc1ccc(nc1)Br AIFCHEM-94537413218 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.1 CCNCc1ccc(nc1)C AIFCHEM-94537422957 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.1 Nc1ccc(nc1)C=CCO AIFCHEM-6290912965 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.17 CCCNc1ccccc1F AIFCHEM-94569019341 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.17 CCCNc1cccnc1C AIFCHEM-94569017542 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.17 CCCNc1cccnc1O AIFCHEM-94569017482 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.17 CCCNc1cnccc1C AIFCHEM-94569017546 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.17 CCCNc1ncccc1C AIFCHEM-94569013329 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.17 CCCNc1ncccc1O AIFCHEM-94569013697 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.17 CCNCc1cccnc1Br AIFCHEM-94537418026 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.17 CCNCc1ncccc1F AIFCHEM-94537420062 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.17 Cc1ccncc1C=CCO AIFCHEM-6424106960 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [0,1,0,0,0,0|0,0,2]=3 35 B11R1.24 CCCNc1cc(ccn1)C AIFCHEM-94569021601 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.24 CCCNc1cc(ccn1)Cl AIFCHEM-94569014823 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.24 CCCNc1cccc(c1)Br AIFCHEM-94552679825 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.24 CCCNc1cccc(c1)F AIFCHEM-94579349397 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.24 CCNCc1cccc(c1)C AIFCHEM-94537252418 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.24 CCNCc1cccc(n1)C AIFCHEM-94537414853 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.24 CCNCc1ccnc(c1)Br AIFCHEM-94537426068 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.24 CCNCc1cncc(c1)Br AIFCHEM-94537411205 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.24 CCNCc1cncc(c1)C AIFCHEM-94537415593 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.24 Cc1cc(ccn1)C=CCO AIFCHEM-6288997802 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.24 Cc1cccc(c1)C=CCO AIFCHEM-6381275994 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.24 Cc1cccc(n1)C=CCO AIFCHEM-6310808161 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.24 Cc1ccnc(c1)C=CCO AIFCHEM-6260228726 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.24 Nc1cccc(n1)C=CCO AIFCHEM-6434654348 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.24 OCC=Cc1cccc(c1)O AIFCHEM-6420389960 [0,1,0,0,0,0|0,0,2]=3 50 B11R1.24 OCC=Cc1cncc(c1)O AIFCHEM-6406081445 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.28 FCCNCc1ccccn1 AIFCHEM-5801248605 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.28 FCCNCc1cccnn1 AIFCHEM-5801265591 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.28 N#CCNCc1ccccn1 AIFCHEM-94558702348 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.28 OCCNCc1ccncn1 AIFCHEM-6389148719 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.28 OCCNCc1ncccn1 AIFCHEM-6481313728 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.40 CCN(C)Cc1cccnc1 AIFCHEM-94537417880 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.91 CC(C)CNc1ccccn1 AIFCHEM-94572981495 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.91 CC(C)CNc1cccnc1 AIFCHEM-94572981207 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.91 CC(C)NCc1cccnc1 AIFCHEM-94520540451 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.12 OCC=Cc1ccoc1 AIFCHEM-6192990360 [0,0,0,0,1,0|1,0,2]=4 65 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 CCNc1ccc(nc1)Br AIFCHEM-94537414731 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.1 CCNc1ccc(nc1)F AIFCHEM-94537417232 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CCNc1cccc(n1)Br AIFCHEM-94537417741 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 CCNc1cccc(n1)Cl AIFCHEM-94537421828 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 CCNc1cncc(c1)Br AIFCHEM-94537414734 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.10 CCNc1cncc(c1)Cl AIFCHEM-94537418676 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.10 CCNc1cncc(c1)O AIFCHEM-94532888502 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.21 CCCCNc1ccsc1 AIFCHEM-94523038276 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.21 CCNCCn1cccc1 AIFCHEM-94537419871 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.21 FCCNCc1cccs1 AIFCHEM-5853698665 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.21 OCCNCc1cnco1 AIFCHEM-6481664221 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.21 OCCNCc1cocn1 AIFCHEM-94577775647 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.21 OCCNCc1ncc[nH]1 AIFCHEM-94577775061 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.1 CCCCNc1ccc(cc1)C AIFCHEM-94523028188 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.1 CCCCNc1ccc(cc1)F AIFCHEM-94523042368 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.1 CCCCNc1ccc(cn1)C AIFCHEM-94523032560 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.1 CCCCNc1ccc(cn1)O AIFCHEM-94523039171 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.1 CCCCNc1ccc(nc1)Br AIFCHEM-94523031044 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1 CCCCNc1ccc(nc1)Cl AIFCHEM-94523038884 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1 CCCCNc1ccc(nc1)F AIFCHEM-94523033545 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1 CCCCNc1ccc(nc1)O AIFCHEM-94523029087 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.1 CCCNCc1ccc(cn1)C AIFCHEM-94569018920 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.1 CCCNCc1ccc(nc1)C AIFCHEM-5814844407 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.1 CCCNCc1ccc(nc1)Cl AIFCHEM-94569024760 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.1 CCCNCc1ccc(nc1)F AIFCHEM-5875471513 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.1 COCC=Cc1ccc(cc1)F AIFCHEM-6359501464 [0,2,0,0,0,0|0,0,2]=4 110 B12R1.1 Cc1ccc(cc1)CNCCF AIFCHEM-5861558895 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.1 Cc1ncc(cn1)CNCCO AIFCHEM-94577781355 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.1 FCCNCc1ccc(cc1)Cl AIFCHEM-5800462737 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.1 FCCNCc1ccc(cc1)I AIFCHEM-5853759708 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.1 FCCNCc1ccc(cn1)Br AIFCHEM-5853553610 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.1 N#CCNCc1ccc(cc1)I AIFCHEM-94558703521 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.1 OCCNCc1ccc(cc1)O AIFCHEM-6411472161 [0,2,0,0,0,0|0,0,0]=2 117 B12R1.1 OCCNCc1ccc(cn1)Cl AIFCHEM-94577778244 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.21 CC(C)NCc1ccc(cc1)Br AIFCHEM-94520536724 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [0,2,0,0,0,0|0,0,2]=4 130 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.49 CC(CO)Nc1ccc(cc1)F AIFCHEM-94552015989 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.49 CCN(C)Cc1ccc(cc1)F AIFCHEM-94537421330 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.49 CCN(C)Cc1ccc(cc1)I AIFCHEM-94563256363 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.49 Cc1ccc(cn1)NC(C)CO AIFCHEM-6030935790 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.69 CCCNc1ccc(cc1Br)Br AIFCHEM-94569020646 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.69 CCCNc1ccc(cc1Br)Cl AIFCHEM-94569023399 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.69 CCCNc1ccc(cc1Br)I AIFCHEM-94569016947 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.69 CCCNc1ccc(cc1C)O AIFCHEM-94569016792 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.69 CCCNc1ccc(cc1Cl)C AIFCHEM-94569020647 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.69 CCCNc1ccc(cc1I)C AIFCHEM-94569016914 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.69 CCCNc1ccc(cc1O)Cl AIFCHEM-94569016810 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.69 CCNCc1ccc(cc1C)C AIFCHEM-94537427365 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.69 CCNCc1ccc(cc1C)F AIFCHEM-94537425312 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.69 CCNCc1ccc(cc1F)Br AIFCHEM-94591862674 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.69 CCNCc1ccc(cc1F)C AIFCHEM-94537413387 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.69 CCNCc1ccc(cc1O)Br AIFCHEM-94537417660 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.69 CCNCc1ccc(cc1O)F AIFCHEM-94537426255 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.69 Cc1ccc(c(c1)C)C=CCO AIFCHEM-94607013894 [0,2,0,0,0,0|0,0,2]=4 151 B12R1.69 Cc1ccc(c(c1)F)C=CCO AIFCHEM-6337803033 [0,2,0,0,0,0|0,0,2]=4 152 B12R1.69 Nc1cc(ccc1C=CCO)O AIFCHEM-6118720578 [0,2,0,0,0,0|0,0,2]=4 153 B12R1.69 OCC=Cc1ccc(cc1O)O AIFCHEM-6301496114 [0,2,0,0,0,0|0,0,2]=4 154 B12R1.71 CCCNc1ccc(cc1)OC AIFCHEM-94569015005 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.71 CSc1ccc(cc1)C=CCO AIFCHEM-6381160487 [0,2,0,0,0,0|0,0,2]=4 156 B12R1.71 N#Cc1ccc(cc1)C=CCO AIFCHEM-6325207024 [0,2,0,0,0,0|0,0,2]=4 157 B12R1.71 NCc1ccc(cc1)C=CCO AIFCHEM-5598304750 [0,2,0,0,0,0|0,0,2]=4 158 B12R1.385 CCCNc1ccc(c(c1)Br)Cl AIFCHEM-94569022782 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.385 CCCNc1ccc(c(c1)C)Br AIFCHEM-94569015014 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.385 CCCNc1ccc(c(c1)Cl)Br AIFCHEM-94569015441 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.385 CCCNc1ccc(c(c1)I)Cl AIFCHEM-94569020145 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.385 CCNCc1ccc(c(c1)Br)F AIFCHEM-94537417927 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.385 CCNCc1ccc(c(c1)C)F AIFCHEM-94537419376 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.385 CCNCc1ccc(c(c1)Cl)C AIFCHEM-94537424345 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl AIFCHEM-94537411446 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.385 CCNCc1ccc(c(c1)F)Br AIFCHEM-94537423164 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.385 CCNCc1ccc(c(c1)O)O AIFCHEM-94537416373 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.385 Nc1cc(ccc1F)C=CCO AIFCHEM-6156626666 [0,2,0,0,0,0|0,0,2]=4 169 B12R1.385 OCC=Cc1ccc(c(c1)F)O AIFCHEM-6209350294 [0,2,0,0,0,0|0,0,2]=4 170 B12R1.385 OCC=Cc1ccc(c(c1)O)O AIFCHEM-6413125974 [0,2,0,0,0,0|0,0,2]=4 171 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.30 CCCCN(C)c1ccncc1 AIFCHEM-94523028571 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.25 CCCNc1cccc(c1C)Br AIFCHEM-94585196993 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.25 CCCNc1cccc(c1C)C AIFCHEM-94569023327 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.25 CCCNc1cccc(c1F)C AIFCHEM-94569014814 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.25 CCCNc1cccc(c1O)Br AIFCHEM-94569016759 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.25 CCNCc1cccc(c1C)C AIFCHEM-94537422315 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.25 CCNCc1cccc(c1F)Br AIFCHEM-94537412770 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.25 CCNCc1cccc(c1O)Br AIFCHEM-94537417018 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.25 CCNCc1cccc(c1O)C AIFCHEM-94537417662 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.25 CCNCc1cccc(c1O)F AIFCHEM-94537418038 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.25 CCNCc1cccc(c1O)O AIFCHEM-94537413035 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.25 OCC=Cc1cccc(c1O)O AIFCHEM-6309534545 [0,2,0,0,0,0|0,0,2]=4 194 B12R1.121 CCCNc1ccccc1SC AIFCHEM-94569016982 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.121 CCNCc1ccccc1C#N AIFCHEM-94537420512 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.121 CCc1ccccc1C=CCO AIFCHEM-6403285681 [0,2,0,0,0,0|0,0,2]=4 197 B12R1.125 CC(C)CNc1ccccc1F AIFCHEM-94582105931 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.125 CC(C)NCc1ccccc1O AIFCHEM-94532460180 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.125 CC(O)C=Cc1ccccc1F AIFCHEM-6194306919 [0,2,0,0,0,0|0,0,2]=4 200 B12R1.267 CCCCNc1cccnc1Cl AIFCHEM-94523040091 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.267 CCCCNc1cnccc1O AIFCHEM-94523040136 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.267 CCCCNc1ncccc1C AIFCHEM-94523032559 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.267 CCCCNc1ncccc1F AIFCHEM-94523034766 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.267 CCCCNc1ncccc1O AIFCHEM-94523032927 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.267 CCCNCc1ccccc1Cl AIFCHEM-94555005997 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.267 CCCNCc1ccccc1O AIFCHEM-94592060285 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.267 CCCNCc1cccnc1Br AIFCHEM-5792684305 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.267 CCCNCc1ccncc1Br AIFCHEM-94521371032 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.267 CCCNCc1ncccc1Br AIFCHEM-5875357386 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.267 CCCNCc1ncccc1C AIFCHEM-5791070021 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.267 CCCNCc1ncccc1Cl AIFCHEM-94521368071 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.267 COCC=Cc1ccccc1F AIFCHEM-6203896649 [0,2,0,0,0,0|0,0,2]=4 213 B12R1.267 COCC=Cc1ccccc1O AIFCHEM-6341471182 [0,2,0,0,0,0|0,0,2]=4 214 B12R1.267 Cc1cccnc1CNCCO AIFCHEM-6463388064 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.267 Cc1ccncc1CNCCF AIFCHEM-5871113118 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.267 FCCNCc1ncccc1Br AIFCHEM-5861675649 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.267 FCCNCc1ncccc1F AIFCHEM-5853648356 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.267 N#CCNCc1ccccc1Br AIFCHEM-94558707092 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.267 N#CCNCc1ccccc1F AIFCHEM-94558705901 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.267 N#CCNCc1ccccc1O AIFCHEM-94532467514 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.267 OCCNCc1ccccc1O AIFCHEM-94532459344 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.267 OCCNCc1cccnc1Br AIFCHEM-94577776039 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.267 OCCNCc1ccncc1Cl AIFCHEM-6481474968 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.267 OCCNCc1ccncc1F AIFCHEM-94577778813 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.267 OCCNCc1ncccc1Br AIFCHEM-6481413800 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.267 Oc1ccccc1CNCCF AIFCHEM-94532465977 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.371 CC(CO)Nc1ccccc1O AIFCHEM-94521333642 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.371 CCN(C)Cc1ccccc1O AIFCHEM-94563261019 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.371 O=C(CO)Nc1ccccc1I AIFCHEM-94532684184 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.374 CCCNc1cc(ccc1Br)Br AIFCHEM-94570336825 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.374 CCCNc1cc(ccc1Br)I AIFCHEM-94569009317 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.374 CCCNc1cc(ccc1C)Br AIFCHEM-94569018213 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.374 CCCNc1cc(ccc1Cl)C AIFCHEM-94569024602 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.374 CCCNc1cc(ccc1F)Cl AIFCHEM-94569015331 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.374 CCCNc1cc(ccc1F)O AIFCHEM-94569020737 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.374 CCCNc1cc(ccc1O)Br AIFCHEM-94569018465 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.374 CCCNc1cc(ccc1O)O AIFCHEM-94569015160 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.374 CCNCc1cc(ccc1C)C AIFCHEM-94537427224 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.374 CCNCc1cc(ccc1O)Br AIFCHEM-94537417084 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.374 CCNCc1cc(ccc1O)C AIFCHEM-94577948395 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.374 CCNCc1cc(ccc1O)Cl AIFCHEM-94537421158 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.374 CCNCc1cc(ccc1O)F AIFCHEM-94537412553 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.374 Nc1ccc(c(c1)C=CCO)F AIFCHEM-5796105624 [0,2,0,0,0,0|0,0,2]=4 244 B12R1.374 OCC=Cc1cc(ccc1F)O AIFCHEM-6316570592 [0,2,0,0,0,0|0,0,2]=4 245 B12R1.1631 CCNCc1c(cccc1Br)O AIFCHEM-94537418656 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.1631 CCNCc1c(cccc1F)C AIFCHEM-94537412417 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.1631 CCNCc1c(cccc1F)O AIFCHEM-94537418182 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.1631 Cc1cccc(c1C=CCO)F AIFCHEM-6339770229 [0,2,0,0,0,0|0,0,2]=4 249 B12R1.1631 Cc1cccc(c1C=CCO)N AIFCHEM-5754692448 [0,2,0,0,0,0|0,0,2]=4 250 B12R1.1631 Cc1cccc(c1C=CCO)O AIFCHEM-6378257590 [0,2,0,0,0,0|0,0,2]=4 251 B12R1.1631 Nc1cccc(c1C=CCO)O AIFCHEM-5847428384 [0,2,0,0,0,0|0,0,2]=4 252 B12R1.1631 OCC=Cc1c(cccc1F)F AIFCHEM-6357391618 [0,2,0,0,0,0|0,0,2]=4 253 B12R1.1631 OCC=Cc1c(cccc1F)O AIFCHEM-6381666064 [0,2,0,0,0,0|0,0,2]=4 254 B12R1.28 CCCC=Cc1cccc(c1)F AIFCHEM-6382549502 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.28 CCCCNc1cccc(c1)Br AIFCHEM-94552679827 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.28 CCCCNc1cccc(c1)I AIFCHEM-94523040021 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.28 CCCCNc1ccnc(c1)Br AIFCHEM-94523041478 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.28 CCCCNc1ccnc(c1)F AIFCHEM-94523033648 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.28 CCCCNc1cncc(c1)I AIFCHEM-94523035566 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.28 CCCNCc1cccc(c1)O AIFCHEM-94569022018 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.28 CCCNCc1cccc(n1)Br AIFCHEM-5853283410 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.28 CCCNCc1cccc(n1)Cl AIFCHEM-94569013145 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.28 CCCNCc1cccc(n1)F AIFCHEM-94521368095 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.28 CCCNCc1ccnc(c1)C AIFCHEM-5790952841 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.28 CCCNCc1ccnc(c1)O AIFCHEM-5853495193 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.28 COCC=Cc1cccc(c1)N AIFCHEM-94552694627 [0,2,0,0,0,0|0,0,2]=4 267 B12R1.28 Cc1cc(ccn1)CNCCO AIFCHEM-6481582523 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.28 Cc1cccc(c1)CNCC#N AIFCHEM-94558706853 [0,2,0,0,0,0|1,0,1]=4 269 B12R1.28 Cc1ccnc(c1)CNCCF AIFCHEM-5871099234 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.28 Cc1cncc(c1)CNCCO AIFCHEM-94577775047 [0,2,0,0,0,0|1,0,0]=3 271 B12R1.28 FCCNCc1ccnc(c1)Cl AIFCHEM-5800418282 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.28 N#CCNCc1cccc(c1)F AIFCHEM-94558705933 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.28 N#CCNCc1cccc(c1)I AIFCHEM-94558707245 [0,2,0,0,0,0|1,0,1]=4 274 B12R1.28 OCCNCc1cc(ccn1)Br AIFCHEM-94577776143 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.50 CC(CO)Nc1cccc(c1)Cl AIFCHEM-94523487703 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.50 CC(CO)Nc1ccnc(c1)O AIFCHEM-94552259573 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.50 CCN(C)Cc1cccc(c1)F AIFCHEM-94563258775 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.50 CCN(C)Cc1cccc(c1)O AIFCHEM-94563254727 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.100 CCCNc1cc(cc(c1)Br)Cl AIFCHEM-94569024749 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.100 CCCNc1cc(cc(c1)F)F AIFCHEM-94569017963 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.100 CCCNc1cc(cc(c1)I)I AIFCHEM-94569017682 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.100 CCCNc1cc(cc(c1)O)C AIFCHEM-94569022321 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.100 CCNCc1cc(cc(c1)C)C AIFCHEM-94537425460 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.100 Cc1cc(cc(c1)C=CCO)F AIFCHEM-6354116384 [0,2,0,0,0,0|0,0,2]=4 285 B12R1.100 Nc1cc(cc(c1)C=CCO)F AIFCHEM-6050088281 [0,2,0,0,0,0|0,0,2]=4 286 B12R1.226 CC(C)NCc1cccc(c1)Br AIFCHEM-94520539518 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.226 CC(C)NCc1cccc(c1)I AIFCHEM-94520541615 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.382 CCCNc1cccc(c1)C#N AIFCHEM-94571669059 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.382 N#Cc1cccc(c1)C=CCO AIFCHEM-6289569821 [0,2,0,0,0,0|0,0,2]=4 290 B12R1.8 CCNCCCc1cccnc1 AIFCHEM-94537421400 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.8 CCNCCOc1cccnc1 AIFCHEM-94537420048 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.8 CSCCCNc1ccncc1 AIFCHEM-94546183382 [0,2,0,0,0,0|1,1,0]=4 293 B12R1.8 CSCCNCc1cccnc1 AIFCHEM-94598922606 [0,2,0,0,0,0|1,1,0]=4 294 B12R1.8 O=COCNCc1cccnc1 AIFCHEM-94595107182 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.8 OCCCNCc1cccnc1 AIFCHEM-94523164274 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.8 OCCCNCc1ncccn1 AIFCHEM-94523163101 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.27 CC(CF)NCc1ccncc1 AIFCHEM-6106353417 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.27 CC(CO)NCc1cccnn1 AIFCHEM-6411322817 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.27 CC(CO)NCc1cncnc1 AIFCHEM-6481355407 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.27 CCC(C)CNc1ccccn1 AIFCHEM-5933383275 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.27 C[C@@H](CF)NCc1ccncc1 AIFCHEM-6033408698 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.27 C[C@@H](CO)NCc1cccnn1 AIFCHEM-6436821149 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.27 C[C@@H](CO)NCc1cncnc1 AIFCHEM-6438178079 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.27 C[C@H](CF)NCc1ccncc1 AIFCHEM-6088513543 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.27 C[C@H](CO)NCc1cccnn1 AIFCHEM-6461011387 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.27 C[C@H](CO)NCc1cncnc1 AIFCHEM-6394973147 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.32 CCCN(C)Cc1ccccn1 AIFCHEM-5860218756 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.32 CN(CCO)Cc1cccnc1 AIFCHEM-94548505566 [0,2,0,0,0,0|1,0,0]=3 311 B12R1.32 CN(CCO)Cc1cnccn1 AIFCHEM-94548506077 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.32 COCC(C)Nc1ccncc1 AIFCHEM-94533893127 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,2,0,0,0,0|0,0,1]=3 314 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [0,2,0,0,0,0|1,0,1]=4 315 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [0,2,0,0,0,0|1,0,0]=3 317 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [0,2,0,0,0,0|1,0,0]=3 318 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.118 CCC(CO)Nc1cccnc1 AIFCHEM-94531005469 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.118 OCC(CO)Nc1cccnc1 AIFCHEM-94531007839 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.891 CC(C)(O)C=Cc1ccccc1 AIFCHEM-94590917375 [0,2,0,0,0,0|0,0,2]=4 324 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|0,0,2]=4 326 B12R2.2057 c1cc(ccn1)CNC2CC2 AIFCHEM-6108865476 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.2057 c1cncc(c1)CNC2CC2 AIFCHEM-94573316464 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,1,0,1,0,0|1,0,1]=4 329 B12R2.2058 c1cc(ccn1)CN2CCC2 AIFCHEM-94604924562 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.2058 c1cncc(c1)NC2CCC2 AIFCHEM-94531001888 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.2058 c1cncc(c1)NC2COC2 AIFCHEM-94531006465 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.8 CCNc1ccsc1 AIFCHEM-94568866699 [1,0,0,0,1,0|2,0,0]=4