0 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.1 Nc1ccc(nc1)C=CCO AIFCHEM-6290912965 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.17 C#CCNC(=O)c1ccc(cc1)I AIFCHEM-94588320211 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.17 C#CCNC(=O)c1ccc(cc1)O AIFCHEM-6195946417 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519630974 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.17 CCCNC(=O)c1ccc(cc1)O AIFCHEM-94521381894 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.17 CCCNC(=O)c1ccc(cn1)Br AIFCHEM-94521377355 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.17 O=C(NCCF)c1ccc(cn1)O AIFCHEM-94538169817 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.21 CCN(C)C(=O)c1ccc(cc1)C AIFCHEM-94563270980 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.21 CCN(C)C(=O)c1ccc(cn1)F AIFCHEM-6119323562 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.21 CCN(C)C(=O)c1ccc(cn1)I AIFCHEM-94563266535 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 AIFCHEM-94520549266 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I AIFCHEM-94520550233 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O AIFCHEM-94538165114 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.12 Nc1ccc(nc1)C2=CCCC2 AIFCHEM-6358619238 [0,0,0,1,0,0|3,0,0]=4 34 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C AIFCHEM-94584238232 [0,0,0,0,0,1|2,0,1]=4 35 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586019392 [0,0,0,0,0,1|2,0,1]=4 36 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O AIFCHEM-94596165465 [0,0,0,0,0,1|2,0,1]=4 37 B13R1.19 COCC(=O)Nc1ccc(cc1)C AIFCHEM-94547765747 [0,0,0,0,0,1|3,0,0]=4 38 B13R1.19 COCC(=O)Nc1ccc(cc1)I AIFCHEM-6151507728 [0,0,0,0,0,1|3,0,0]=4 39 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608724827 [0,0,0,0,0,1|3,0,0]=4 40 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl AIFCHEM-94586018678 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.1 CCOC=Cc1ccc(nn1)N AIFCHEM-6020564715 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.1 CCOC=Cc1ncc(cn1)N AIFCHEM-94580722876 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.1 COCC=Cc1ccc(cc1)F AIFCHEM-6359501464 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.71 NCc1ccc(cc1)C=CCO AIFCHEM-5598304750 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.33 CCC#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-5990437984 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608720893 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.33 CCCCC(=O)Nc1ccc(cc1)I AIFCHEM-94534108884 [0,1,0,0,0,1|2,0,0]=4 56 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br AIFCHEM-94521375627 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C AIFCHEM-94521379642 [0,1,0,0,0,1|2,0,0]=4 58 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O AIFCHEM-94521374824 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.33 CCOCC(=O)Nc1ccc(=O)[nH]c1 AIFCHEM-5999762998 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.33 CCSCC(=O)Nc1ccc(cc1)Br AIFCHEM-94580209754 [0,1,0,0,0,1|1,1,0]=4 61 B14R1.33 CCSCC(=O)Nc1ccc(cc1)F AIFCHEM-94580217129 [0,1,0,0,0,1|1,1,0]=4 62 B14R1.33 COCCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608724963 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.33 COCCC(=O)Nc1ccc(cc1)C AIFCHEM-94584235681 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.33 COCCC(=O)Nc1ccc(cc1)F AIFCHEM-94552026651 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.33 CSCCC(=O)Nc1ccc(cc1)F AIFCHEM-94552029593 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.134 CCC(C)C(=O)Nc1ccc(cc1)F AIFCHEM-94540067837 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.134 CCC(C)C(=O)Nc1ccc(cc1)O AIFCHEM-94574883980 [0,1,0,0,0,1|2,0,0]=4 68 B14R1.134 CCN(C)C(=O)Cc1ccc(cc1)I AIFCHEM-94563264498 [0,1,0,0,0,1|2,0,0]=4 69 B14R1.134 CC[C@@H](C)C(=O)Nc1ccc(cc1)F AIFCHEM-94540072237 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.134 CC[C@@H](C)C(=O)Nc1ccc(cc1)O AIFCHEM-94596163516 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.134 CC[C@H](C)C(=O)Nc1ccc(cc1)F AIFCHEM-5952947106 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.134 CC[C@H](C)C(=O)Nc1ccc(cc1)O AIFCHEM-94574886169 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.698 CC(C)NC(=O)Cc1ccc(cc1)F AIFCHEM-94520548779 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.698 CC(C)NC(=O)Cc1ccc(cc1)O AIFCHEM-94520545439 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.698 Cc1ccc(cc1)CC(=O)NC(C)C AIFCHEM-94520550257 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.10 C#CC(C)NC(=O)c1ccc(cc1)Br AIFCHEM-5786614178 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.19 C#CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519624766 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519625315 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O AIFCHEM-5693871207 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.678 O=C(NCC(F)F)c1ccc(cc1)F AIFCHEM-5988249969 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.926 C#Cc1ccc(cc1)C(=O)NCCC AIFCHEM-94521372688 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.926 CCCNC(=O)c1ccc(cc1)CO AIFCHEM-94521377298 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.926 CCCNC(=O)c1ccc(cc1)OC AIFCHEM-5853736664 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)C AIFCHEM-5793265419 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.941 CCCNC(=O)c1ccc(c(c1)Br)F AIFCHEM-5815297881 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)Cl AIFCHEM-94521380483 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.941 CCCNC(=O)c1ccc(c(c1)C)I AIFCHEM-94521378889 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.941 CCCNC(=O)c1ccc(c(c1)F)I AIFCHEM-5853715157 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)Br AIFCHEM-5853885288 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.941 CCCNC(=O)c1ccc(c(c1)I)I AIFCHEM-94521377787 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)F AIFCHEM-94521378828 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.941 CCCNC(=O)c1ccc(c(c1)O)O AIFCHEM-5791986216 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.941 O=C(NCCF)c1ccc(c(c1)Br)Br AIFCHEM-5827842699 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.941 O=C(NCCF)c1ccc(c(c1)O)O AIFCHEM-5871486381 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.2523 CCCNC(=O)c1ccc(cc1C)O AIFCHEM-94521379323 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.2523 CCCNC(=O)c1ccc(cc1I)C AIFCHEM-94521375511 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.2523 CCCNC(=O)c1ccc(cc1O)Br AIFCHEM-94521375090 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.2523 Cc1ccc(c(c1)I)C(=O)NCCF AIFCHEM-5801266986 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.2523 O=C(NCCF)c1ccc(cc1Cl)Br AIFCHEM-5854048700 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.2523 O=C(NCCF)c1ccc(cc1O)O AIFCHEM-5828122582 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.7 C#Cc1ccc(cc1)C(=O)N(C)CC AIFCHEM-94563261775 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.7 CCc1ccc(cc1)C(=O)N(C)CC AIFCHEM-94563268706 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.132 CC(C)N(C)C(=O)c1ccc(cc1)Br AIFCHEM-94547948948 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.132 CC(C)N(C)C(=O)c1ccc(cc1)I AIFCHEM-94547949182 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.132 CC(C)N(C)C(=O)c1ccc(cc1)O AIFCHEM-94547951458 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.132 Cc1ccc(cc1)C(=O)N(C)C(C)C AIFCHEM-94547951457 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)Br)F AIFCHEM-94563261473 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)Br)I AIFCHEM-94563265871 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)C)F AIFCHEM-94563267231 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)C)O AIFCHEM-6173202041 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)Cl)F AIFCHEM-94563267232 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)F)Br AIFCHEM-6119058057 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)I)Br AIFCHEM-94563267372 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)I)C AIFCHEM-6119338361 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)I)Cl AIFCHEM-94563267371 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)Br AIFCHEM-6125403336 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)Cl AIFCHEM-6099561294 [0,2,0,0,0,0|2,0,0]=4 118 B14R1.1003 CCN(C)C(=O)c1ccc(c(c1)O)O AIFCHEM-94563270976 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.2819 CCN(C)C(=O)c1ccc(cc1Br)Cl AIFCHEM-94563270727 [0,2,0,0,0,0|2,0,0]=4 120 B14R1.2819 CCN(C)C(=O)c1ccc(cc1C)C AIFCHEM-94588108084 [0,2,0,0,0,0|2,0,0]=4 121 B14R1.2819 CCN(C)C(=O)c1ccc(cc1C)O AIFCHEM-94563268410 [0,2,0,0,0,0|2,0,0]=4 122 B14R1.2819 CCN(C)C(=O)c1ccc(cc1F)I AIFCHEM-6125419626 [0,2,0,0,0,0|2,0,0]=4 123 B14R1.2819 CCN(C)C(=O)c1ccc(cc1F)O AIFCHEM-6125854565 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.2 CC(C)NC(=O)c1ccc(cc1)C#N AIFCHEM-94520550235 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.2 COc1ccc(cc1)C(=O)NC(C)C AIFCHEM-94520542936 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.683 Cc1ccc(cc1)C(=O)NC(C)(C)C AIFCHEM-94589418679 [0,2,0,0,0,0|2,0,0]=4 127 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Br)I AIFCHEM-94520547399 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)Cl)Br AIFCHEM-94520547422 [0,2,0,0,0,0|2,0,0]=4 129 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)Cl AIFCHEM-94520548256 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.685 CC(C)NC(=O)c1ccc(c(c1)O)O AIFCHEM-94520552504 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.685 Cc1cc(ccc1Cl)C(=O)NC(C)C AIFCHEM-94520551098 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.6048 CC(C)NC(=O)c1ccc(cc1Br)Br AIFCHEM-94520550169 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.6048 Cc1cc(ccc1C(=O)NC(C)C)F AIFCHEM-94520548070 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.6048 Cc1ccc(c(c1)O)C(=O)NC(C)C AIFCHEM-94520549264 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.25 CCNc1cnc(cn1)C(=O)OCC AIFCHEM-94537422650 [0,2,0,0,0,0|2,0,0]=4 136 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [1,0,0,1,0,0|2,0,0]=4 137 B14R2.949 CC(=Cc1ccc(cc1)N)C2CC2 AIFCHEM-94608718634 [0,0,0,1,0,1|2,0,0]=4 138 B14R2.949 O=C(Nc1ccc(cc1)Br)C2CC2 AIFCHEM-94608723418 [0,0,0,1,0,1|2,0,0]=4 139 B14R2.20 Cc1ccc(o1)c2ccc(cc2)N AIFCHEM-94608718959 [0,1,0,1,0,0|1,0,1]=4 140 B14R2.68 Cc1ccc(cc1)C2=COCCC2 AIFCHEM-94528939493 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 AIFCHEM-94608717822 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.68 Oc1ccc(cc1)C2=COCCC2 AIFCHEM-94562880887 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.933 Cc1ccc(cc1)C(=O)NC2CC2 AIFCHEM-94573328521 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.10606 O=C(c1ccc(cc1)Br)N2CCC2 AIFCHEM-94604932244 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.10606 O=C(c1ccc(cc1)O)N2CCC2 AIFCHEM-6042584229 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.1 CNc1ccc(cc1)C2=CCCC2 AIFCHEM-5748604074 [0,1,0,1,0,0|2,0,0]=4 147 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [1,0,0,0,0,1|1,0,1]=4 148 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [1,0,0,0,0,1|2,0,0]=4