0 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.23 C/C=C(\C)/c1cc(ccn1)C AIFCHEM-94584218926 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.23 C/C=C(\C)/c1cccc(n1)C AIFCHEM-94584219398 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.23 C/C=C(\C)/c1cccc(n1)N AIFCHEM-94584215194 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.23 C/C=C(\C)/c1cccc(n1)O AIFCHEM-94584216776 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.23 C/C=C(\C)/c1ccnc(c1)C AIFCHEM-94584215958 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.11 C/C=C(\C)/c1ccoc1 AIFCHEM-94584215864 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.40 C#CC(=O)Nc1cccnc1 AIFCHEM-94525199177 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.40 CCC(=O)Nc1cccnn1 AIFCHEM-94554024128 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.1 CC=Cc1ccc(cn1)F AIFCHEM-6302156631 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.4 CC=Cc1cnccc1F AIFCHEM-6369068956 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.10 CC=Cc1cc(ccn1)C AIFCHEM-6229029433 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CC=Cc1cc(ccn1)F AIFCHEM-6308154391 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.32 CC#CC(=O)Nc1ccncc1 AIFCHEM-94533902132 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.32 COCC(=O)Nc1ccncc1 AIFCHEM-94533902369 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.43 CC(C)C(=O)Nc1ccncc1 AIFCHEM-94545049393 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [0,1,0,0,0,1|1,0,1]=4 50 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [0,1,0,0,0,1|1,0,1]=4 51 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [0,1,0,0,0,1|1,0,1]=4 52 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.49 CCC(=O)Nc1ccc(cn1)Br AIFCHEM-94526499500 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.50 C#CC(=O)Nc1cccc(c1)C AIFCHEM-94525191097 [0,1,0,0,0,1|1,0,1]=4 58 B12R1.50 C#CC(=O)Nc1cccc(c1)F AIFCHEM-94579361398 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.50 CCC(=O)Nc1cc(ccn1)I AIFCHEM-94526508375 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.50 CCC(=O)Nc1ccnc(c1)O AIFCHEM-94526506964 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.50 CCC(=O)Nc1cncc(c1)C AIFCHEM-94526506478 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.50 CCC(=O)Nc1cncc(c1)I AIFCHEM-94526505527 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.371 C#CC(=O)Nc1ccccc1I AIFCHEM-94525200532 [0,1,0,0,0,1|1,0,1]=4 65 B12R1.371 CCC(=O)Nc1cccnc1C AIFCHEM-94526506476 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.371 CCC(=O)Nc1ccncc1Br AIFCHEM-94526501822 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.371 CCC(=O)Nc1ccncc1C AIFCHEM-94526504326 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.371 CCC(=O)Nc1ncccc1C AIFCHEM-94526503053 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.371 O=C(CO)Nc1ccccc1I AIFCHEM-94532684184 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.30 CCCNC(=O)c1cncnc1 AIFCHEM-5793656241 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.107 CC(C)NC(=O)c1cnccn1 AIFCHEM-94520552475 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.107 CC(C)NC(=O)c1cncnc1 AIFCHEM-94520549056 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.354 C/C=C(\C)/c1cc(ccc1F)C AIFCHEM-94584218727 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.354 C/C=C(\C)/c1cc(ccc1F)F AIFCHEM-94584218232 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.354 C/C=C(\C)/c1cc(ccc1N)O AIFCHEM-94584221559 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.358 C/C=C(\C)/c1cc(cc(c1)F)C AIFCHEM-94584215320 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.435 C/C=C(\C)/c1cccc(c1)C#N AIFCHEM-94584221084 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.435 C/C=C(\C)/c1cccc(c1)CO AIFCHEM-94584213716 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.3441 C/C=C(\C)/c1c(cccc1O)C AIFCHEM-94584215878 [0,2,0,0,0,0|2,0,0]=4 110 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [1,2,0,0,0,0|0,0,1]=4 114 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [1,2,0,0,0,0|0,0,1]=4 115 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [1,2,0,0,0,0|1,0,0]=4 116 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [1,2,0,0,0,0|1,0,0]=4 117 B11R1.81 CC=Cc1ccc(cc1C)C AIFCHEM-94527147474 [1,2,0,0,0,0|1,0,0]=4 118 B11R1.81 CC=Cc1ccc(cc1F)C AIFCHEM-6296674060 [1,2,0,0,0,0|1,0,0]=4 119 B11R1.81 CC=Cc1ccc(cc1F)O AIFCHEM-6364616607 [1,2,0,0,0,0|1,0,0]=4 120 B11R1.83 CC=Cc1ccc(cc1)C#N AIFCHEM-6320108023 [1,2,0,0,0,0|1,0,0]=4 121 B11R1.192 CC=Cc1ccc(c(c1)C)C AIFCHEM-94530432251 [1,2,0,0,0,0|1,0,0]=4 122 B11R1.192 CC=Cc1ccc(c(c1)N)C AIFCHEM-5799362878 [1,2,0,0,0,0|1,0,0]=4 123 B11R1.192 CC=Cc1ccc(c(c1)N)N AIFCHEM-6377944982 [1,2,0,0,0,0|1,0,0]=4 124 B11R1.192 CC=Cc1ccc(c(c1)O)O AIFCHEM-6368218750 [1,2,0,0,0,0|1,0,0]=4 125 B11R1.13 CC=Cc1cccc(c1F)C AIFCHEM-6455532601 [1,2,0,0,0,0|1,0,0]=4 126 B11R1.13 CC=Cc1cccc(c1N)F AIFCHEM-5998211410 [1,2,0,0,0,0|1,0,0]=4 127 B11R1.13 CC=Cc1cccc(c1O)O AIFCHEM-6323013271 [1,2,0,0,0,0|1,0,0]=4 128 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [1,2,0,0,0,0|0,0,1]=4 129 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [1,2,0,0,0,0|0,0,1]=4 130 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [1,2,0,0,0,0|1,0,0]=4 131 B11R1.182 CC=Cc1cc(ccc1N)N AIFCHEM-6397726964 [1,2,0,0,0,0|1,0,0]=4 132 B11R1.605 CC=Cc1c(cccc1O)C AIFCHEM-6359042356 [1,2,0,0,0,0|1,0,0]=4 133 B11R1.24 CCNCc1cccc(c1)C AIFCHEM-94537252418 [1,2,0,0,0,0|0,0,1]=4 134 B11R1.24 Cc1cccc(c1)C=CCO AIFCHEM-6381275994 [1,2,0,0,0,0|1,0,0]=4 135 B11R1.24 OCC=Cc1cccc(c1)O AIFCHEM-6420389960 [1,2,0,0,0,0|1,0,0]=4 136 B11R1.189 CC=Cc1cccc(c1)C=O AIFCHEM-6307889102 [1,2,0,0,0,0|1,0,0]=4 137 B11R1.189 CC=Cc1cccc(c1)CO AIFCHEM-6418881109 [1,2,0,0,0,0|1,0,0]=4 138 B11R1.29 C#CCNC(=O)c1ccc[nH]1 AIFCHEM-94588320324 [0,2,0,0,1,0|1,0,0]=4 139 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [0,2,0,0,1,0|1,0,0]=4 140 B11R1.29 O=C(NCCF)c1cc[nH]c1 AIFCHEM-5801854197 [0,2,0,0,1,0|1,0,0]=4 141 B11R1.29 O=C(NCCF)c1ccc[nH]1 AIFCHEM-5802205843 [0,2,0,0,1,0|1,0,0]=4 142 B11R1.31 CCN(C)C(=O)c1cc[nH]c1 AIFCHEM-6173245667 [0,2,0,0,1,0|1,0,0]=4 143 B11R1.77 CC(C)NC(=O)c1ccc[nH]1 AIFCHEM-94520550346 [0,2,0,0,1,0|1,0,0]=4 144 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [0,1,0,0,0,2|1,0,0]=4 145 B13R1.15 CCC(=O)NCc1cccc(c1)O AIFCHEM-94526510073 [0,1,0,0,0,2|1,0,0]=4 146 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,1,0,0,0,2|1,0,0]=4 147 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [0,1,0,0,0,2|1,0,0]=4 148 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,1,0,0,0,2|1,0,0]=4 149 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C AIFCHEM-94584238232 [0,2,0,0,0,1|1,0,0]=4 150 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586019392 [0,2,0,0,0,1|1,0,0]=4 151 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O AIFCHEM-94596165465 [0,2,0,0,0,1|1,0,0]=4 152 B13R1.19 COCC(=O)Nc1ccc(cc1)C AIFCHEM-94547765747 [0,2,0,0,0,1|1,0,0]=4 153 B13R1.19 COCC(=O)Nc1ccc(cc1)I AIFCHEM-6151507728 [0,2,0,0,0,1|1,0,0]=4 154 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608724827 [0,2,0,0,0,1|1,0,0]=4 155 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl AIFCHEM-94586018678 [0,2,0,0,0,1|1,0,0]=4 156 B13R1.20 COCC(=O)Nc1cccc(c1)Br AIFCHEM-94552712786 [0,2,0,0,0,1|1,0,0]=4 157 B13R1.20 COCC(=O)Nc1cccc(c1)O AIFCHEM-94542291004 [0,2,0,0,0,1|1,0,0]=4 158 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523498229 [0,2,0,0,0,1|1,0,0]=4 159 B13R1.20 CSCC(=O)Nc1cccc(c1)F AIFCHEM-5690598099 [0,2,0,0,0,1|1,0,0]=4 160 B13R1.20 O=C(CCO)Nc1cccc(c1)Br AIFCHEM-94552711455 [0,2,0,0,0,1|1,0,0]=4 161 B13R1.44 C/C=C/CC(=O)Nc1ccccc1 AIFCHEM-94577031294 [0,2,0,0,0,1|1,0,0]=4 162 B13R1.470 CC#CC(=O)Nc1ccccc1F AIFCHEM-6046075978 [0,2,0,0,0,1|1,0,0]=4 163 B13R1.470 CSCC(=O)Nc1ccccc1C AIFCHEM-94578152707 [0,2,0,0,0,1|1,0,0]=4 164 B13R1.470 Cc1ccccc1NC(=O)CCO AIFCHEM-94578154680 [0,2,0,0,0,1|1,0,0]=4 165 B13R1.21 CCC(=O)N(C)c1ccc(cc1)F AIFCHEM-94526507605 [0,2,0,0,0,1|1,0,0]=4 166 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O AIFCHEM-94526507925 [0,2,0,0,0,1|1,0,0]=4 167 B13R1.22 CCC(=O)N(C)c1cccc(c1)F AIFCHEM-94526504293 [0,2,0,0,0,1|1,0,0]=4 168 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Br AIFCHEM-94545040982 [0,2,0,0,0,1|1,0,0]=4 169 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)O AIFCHEM-94596166633 [0,2,0,0,0,1|1,0,0]=4 170 B13R1.148 CC(O)C(=O)Nc1cccc(c1)F AIFCHEM-94540231464 [0,2,0,0,0,1|1,0,0]=4 171 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F AIFCHEM-94579355466 [0,2,0,0,0,1|1,0,0]=4 172 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F AIFCHEM-94579363490 [0,2,0,0,0,1|1,0,0]=4 173 B13R1.202 CC(C)C(=O)Nc1ccccc1F AIFCHEM-94582115175 [0,2,0,0,0,1|1,0,0]=4 174 B13R1.202 CC(C)C(=O)Nc1ccccc1I AIFCHEM-94545050517 [0,2,0,0,0,1|1,0,0]=4 175 B13R1.2679 CCC(=O)Nc1ccc(cc1Br)C AIFCHEM-94526508691 [0,2,0,0,0,1|1,0,0]=4 176 B13R1.2679 CCC(=O)Nc1ccc(cc1C)I AIFCHEM-94526501606 [0,2,0,0,0,1|1,0,0]=4 177 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)Br AIFCHEM-94526506963 [0,2,0,0,0,1|1,0,0]=4 178 B13R1.2679 CCC(=O)Nc1ccc(cc1Cl)F AIFCHEM-94526504704 [0,2,0,0,0,1|1,0,0]=4 179 B13R1.2679 CCC(=O)Nc1ccc(cc1F)O AIFCHEM-94576189038 [0,2,0,0,0,1|1,0,0]=4 180 B13R1.2679 CCC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94526505891 [0,2,0,0,0,1|1,0,0]=4 181 B13R1.2679 CCC(=O)Nc1ccc(cc1O)F AIFCHEM-94526508230 [0,2,0,0,0,1|1,0,0]=4 182 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C AIFCHEM-94526510407 [0,2,0,0,0,1|1,0,0]=4 183 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)C AIFCHEM-94526507553 [0,2,0,0,0,1|1,0,0]=4 184 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O AIFCHEM-94526507088 [0,2,0,0,0,1|1,0,0]=4 185 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)C AIFCHEM-94526506680 [0,2,0,0,0,1|1,0,0]=4 186 B13R1.2879 CCC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94526511550 [0,2,0,0,0,1|1,0,0]=4 187 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C AIFCHEM-94526503888 [0,2,0,0,0,1|1,0,0]=4 188 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94526502977 [0,2,0,0,0,1|1,0,0]=4 189 B13R1.40 CCC(=O)Nc1cccc(c1Br)C AIFCHEM-94526508334 [0,2,0,0,0,1|1,0,0]=4 190 B13R1.40 CCC(=O)Nc1cccc(c1Br)F AIFCHEM-94526499732 [0,2,0,0,0,1|1,0,0]=4 191 B13R1.40 CCC(=O)Nc1cccc(c1C)Br AIFCHEM-94526503349 [0,2,0,0,0,1|1,0,0]=4 192 B13R1.40 CCC(=O)Nc1cccc(c1F)Br AIFCHEM-94526508710 [0,2,0,0,0,1|1,0,0]=4 193 B13R1.40 CCC(=O)Nc1cccc(c1I)Br AIFCHEM-94526502748 [0,2,0,0,0,1|1,0,0]=4 194 B13R1.40 CCC(=O)Nc1cccc(c1O)Br AIFCHEM-94526505856 [0,2,0,0,0,1|1,0,0]=4 195 B13R1.81 CCC(=O)Nc1cccc(c1)OC AIFCHEM-94526505747 [0,2,0,0,0,1|1,0,0]=4 196 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)F AIFCHEM-94526498880 [0,2,0,0,0,1|1,0,0]=4 197 B13R1.2872 CCC(=O)Nc1cc(ccc1F)Br AIFCHEM-94526505972 [0,2,0,0,0,1|1,0,0]=4 198 B13R1.2872 CCC(=O)Nc1cc(ccc1I)C AIFCHEM-94526501607 [0,2,0,0,0,1|1,0,0]=4 199 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl AIFCHEM-94526512235 [0,2,0,0,0,1|1,0,0]=4 200 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C AIFCHEM-94559809656 [0,2,0,0,0,1|1,0,0]=4 201 B13R1.2874 CCC(=O)Nc1cc(cc(c1)Cl)F AIFCHEM-94526507747 [0,2,0,0,0,1|1,0,0]=4 202 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F AIFCHEM-94526506830 [0,2,0,0,0,1|1,0,0]=4 203 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Br AIFCHEM-94526508910 [0,2,0,0,0,1|1,0,0]=4 204 B13R1.4928 CCC(=O)Nc1c(cccc1Br)O AIFCHEM-94526500091 [0,2,0,0,0,1|1,0,0]=4 205 B13R1.4928 CCC(=O)Nc1c(cccc1I)Br AIFCHEM-94526510793 [0,2,0,0,0,1|1,0,0]=4 206 B13R1.4928 CCC(=O)Nc1c(cccc1I)F AIFCHEM-94526511423 [0,2,0,0,0,1|1,0,0]=4 207 B13R1.17 C#CCNC(=O)c1ccc(cc1)I AIFCHEM-94588320211 [0,3,0,0,0,0|0,0,0]=3 208 B13R1.17 C#CCNC(=O)c1ccc(cc1)O AIFCHEM-6195946417 [0,3,0,0,0,0|0,0,0]=3 209 B13R1.17 C#CCNC(=O)c1ccc(nc1)C AIFCHEM-6216677475 [0,3,0,0,0,0|1,0,0]=4 210 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519630974 [0,3,0,0,0,0|0,0,0]=3 211 B13R1.17 CCCNC(=O)c1ccc(cc1)O AIFCHEM-94521381894 [0,3,0,0,0,0|0,0,0]=3 212 B13R1.17 CCCNC(=O)c1ccc(cn1)Br AIFCHEM-94521377355 [0,3,0,0,0,0|1,0,0]=4 213 B13R1.17 O=C(NCCF)c1ccc(cn1)O AIFCHEM-94538169817 [0,3,0,0,0,0|1,0,0]=4 214 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 AIFCHEM-94520549266 [0,3,0,0,0,0|1,0,0]=4 215 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I AIFCHEM-94520550233 [0,3,0,0,0,0|0,0,0]=3 216 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O AIFCHEM-94538165114 [0,3,0,0,0,0|1,0,0]=4 217 B13R1.18 C#CCNC(=O)c1ccnc(c1)C AIFCHEM-6219788481 [0,3,0,0,0,0|1,0,0]=4 218 B13R1.18 C#CCNC(=O)c1cncc(c1)Cl AIFCHEM-6221080796 [0,3,0,0,0,0|1,0,0]=4 219 B13R1.18 CCCNC(=O)c1cc(=O)cco1 AIFCHEM-5815138351 [0,3,0,0,0,0|1,0,0]=4 220 B13R1.18 CCCNC(=O)c1cccc(=O)[nH]1 AIFCHEM-5791081821 [0,3,0,0,0,0|1,0,0]=4 221 B13R1.18 CCCNC(=O)c1cccc(c1)Br AIFCHEM-5793005127 [0,3,0,0,0,0|0,0,0]=3 222 B13R1.18 CCCNC(=O)c1cccc(c1)Cl AIFCHEM-94521379007 [0,3,0,0,0,0|0,0,0]=3 223 B13R1.18 CCCNC(=O)c1cccc(c1)O AIFCHEM-94521381883 [0,3,0,0,0,0|0,0,0]=3 224 B13R1.18 O=C(NCCF)c1cc(=O)cco1 AIFCHEM-5800886035 [0,3,0,0,0,0|1,0,0]=4 225 B13R1.18 O=C(NCCF)c1cncc(c1)O AIFCHEM-5854221499 [0,3,0,0,0,0|1,0,0]=4 226 B13R1.147 CC(C)NC(=O)c1cncc(c1)O AIFCHEM-94520547728 [0,3,0,0,0,0|1,0,0]=4 227 B13R1.24 C#CCCNC(=O)c1ccccc1 AIFCHEM-94541770295 [0,3,0,0,0,0|0,0,0]=3 228 B13R1.24 CC#CCNC(=O)c1ccccc1 AIFCHEM-94565581648 [0,3,0,0,0,0|0,0,0]=3 229 B13R1.24 CC#CCNC(=O)c1ccncc1 AIFCHEM-5694551369 [0,3,0,0,0,0|1,0,0]=4 230 B13R1.24 COCCNC(=O)c1ccccn1 AIFCHEM-94578913846 [0,3,0,0,0,0|1,0,0]=4 231 B13R1.24 N#CCCNC(=O)c1cccnc1 AIFCHEM-5753900683 [0,3,0,0,0,0|1,0,0]=4 232 B13R1.24 O=COCNC(=O)c1cccnc1 AIFCHEM-94595116764 [0,3,0,0,0,0|1,0,0]=4 233 B13R1.24 O=COCNC(=O)c1ccncc1 AIFCHEM-94595116470 [0,3,0,0,0,0|1,0,0]=4 234 B13R1.45 CC(C)CNC(=O)c1cccnc1 AIFCHEM-6179646778 [0,3,0,0,0,0|1,0,0]=4 235 B13R1.45 NC(=O)CNC(=O)c1ccccc1 AIFCHEM-94550128274 [0,3,0,0,0,0|0,0,0]=3 236 B13R1.45 NC(=O)CNC(=O)c1cccnc1 AIFCHEM-5611646960 [0,3,0,0,0,0|1,0,0]=4 237 B13R1.45 NC(=O)CNC(=O)c1ccncc1 AIFCHEM-5653375543 [0,3,0,0,0,0|1,0,0]=4 238 B13R1.45 O=C(NCC(F)F)c1ccccn1 AIFCHEM-94578924796 [0,3,0,0,0,0|1,0,0]=4 239 B13R1.674 C#CCNC(=O)c1ccccc1Cl AIFCHEM-94562153466 [0,3,0,0,0,0|0,0,0]=3 240 B13R1.674 C#CCNC(=O)c1ccncc1Br AIFCHEM-94588314911 [0,3,0,0,0,0|1,0,0]=4 241 B13R1.674 C#CCNC(=O)c1ccncc1Cl AIFCHEM-94588321861 [0,3,0,0,0,0|1,0,0]=4 242 B13R1.674 C#CCNC(=O)c1ncccc1Cl AIFCHEM-94588319872 [0,3,0,0,0,0|1,0,0]=4 243 B13R1.674 C#CCNC(=O)c1ncccc1O AIFCHEM-94588321632 [0,3,0,0,0,0|1,0,0]=4 244 B13R1.674 CCCNC(=O)c1ccncc1Br AIFCHEM-94521374318 [0,3,0,0,0,0|1,0,0]=4 245 B13R1.674 CCCNC(=O)c1ccncc1C AIFCHEM-94521378134 [0,3,0,0,0,0|1,0,0]=4 246 B13R1.674 CCCNC(=O)c1ncccc1C AIFCHEM-94596772774 [0,3,0,0,0,0|1,0,0]=4 247 B13R1.674 CCCNC(=O)c1ncccc1I AIFCHEM-5790824832 [0,3,0,0,0,0|1,0,0]=4 248 B13R1.674 O=C(NCCF)c1ccncc1O AIFCHEM-5802153882 [0,3,0,0,0,0|1,0,0]=4 249 B13R1.201 CC(C)NC(=O)c1ccc[nH]c1=O AIFCHEM-94520550156 [0,3,0,0,0,0|1,0,0]=4 250 B13R1.201 CC(C)NC(=O)c1ccncc1F AIFCHEM-94520548666 [0,3,0,0,0,0|1,0,0]=4 251 B13R1.201 CC(C)NC(=O)c1ccncc1I AIFCHEM-94520549940 [0,3,0,0,0,0|1,0,0]=4 252 B13R1.201 CC(C)NC(=O)c1ccncc1O AIFCHEM-94520543033 [0,3,0,0,0,0|1,0,0]=4 253 B13R1.201 CC(C)NC(=O)c1ncccc1O AIFCHEM-94520551654 [0,3,0,0,0,0|1,0,0]=4 254 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC AIFCHEM-6328508123 [0,3,0,0,0,0|0,0,0]=3 255 B13R1.139 CCNc1ccc(cc1)C(=O)NC AIFCHEM-94537423740 [0,3,0,0,0,0|0,0,0]=3 256 B13R1.374 CC=Cc1cccc(c1)C(=O)NC AIFCHEM-6407067086 [0,3,0,0,0,0|0,0,0]=3 257 B13R2.26 CCNc1cc2ccccc2s1 AIFCHEM-94537421792 [0,1,0,1,0,1|0,1,0]=4 258 B13R2.1 CCNc1nsc2c1cccc2 AIFCHEM-94555776715 [0,2,0,1,0,0|0,1,0]=4 259 B13R2.12 Oc1ccc(cc1)C2=CCNC2 AIFCHEM-94562882885 [0,2,0,1,0,0|1,0,0]=4 260 B13R1.718 CNC(=O)CNCc1ccncc1 AIFCHEM-94562545745 [0,0,0,0,0,3|1,0,0]=4