0 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.30 CCCNC(=O)c1cncnc1 AIFCHEM-5793656241 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.34 CCN(C)C(=O)c1ccncn1 AIFCHEM-94563266491 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.34 CCN(C)C(=O)c1cncnc1 AIFCHEM-94563267528 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.107 CC(C)NC(=O)c1cnccn1 AIFCHEM-94520552475 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.107 CC(C)NC(=O)c1cncnc1 AIFCHEM-94520549056 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,0,0,1,0,0|3,0,0]=4 35 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [0,0,0,0,0,1|1,0,1]=3 36 B12R1.32 CC#CC(=O)Nc1ccncc1 AIFCHEM-94533902132 [0,0,0,0,0,1|2,0,1]=4 37 B12R1.32 COCC(=O)Nc1ccncc1 AIFCHEM-94533902369 [0,0,0,0,0,1|3,0,0]=4 38 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,0,0,0,0,1|2,0,0]=3 39 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.1 Cc1ccc(cc1)C=CCO AIFCHEM-6341313267 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.1 OCC=Cc1ccc(cc1)F AIFCHEM-6361757288 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.17 CCCNc1ccccc1F AIFCHEM-94569019341 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.17 OCC=Cc1ccccc1O AIFCHEM-6364368587 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.24 CCCNc1cccc(c1)Br AIFCHEM-94552679825 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.24 CCCNc1cccc(c1)F AIFCHEM-94579349397 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.24 CCNCc1cccc(c1)C AIFCHEM-94537252418 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.24 Cc1cccc(c1)C=CCO AIFCHEM-6381275994 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.24 OCC=Cc1cccc(c1)O AIFCHEM-6420389960 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 CCOC=Cc1ccncc1 AIFCHEM-6380433924 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.29 O=C(NCCF)c1cc[nH]c1 AIFCHEM-5801854197 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.29 O=C(NCCF)c1ccc[nH]1 AIFCHEM-5802205843 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.31 CCN(C)C(=O)c1cc[nH]c1 AIFCHEM-6173245667 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.77 CC(C)NC(=O)c1ccc[nH]1 AIFCHEM-94520550346 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C AIFCHEM-94584238232 [0,1,0,0,0,1|1,0,1]=4 71 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586019392 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O AIFCHEM-94596165465 [0,1,0,0,0,1|1,0,1]=4 73 B13R1.19 COCC(=O)Nc1ccc(cc1)C AIFCHEM-94547765747 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.19 COCC(=O)Nc1ccc(cc1)I AIFCHEM-6151507728 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608724827 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl AIFCHEM-94586018678 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.20 COCC(=O)Nc1cccc(c1)Br AIFCHEM-94552712786 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.20 COCC(=O)Nc1cccc(c1)O AIFCHEM-94542291004 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523498229 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.20 CSCC(=O)Nc1cccc(c1)F AIFCHEM-5690598099 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.20 O=C(CCO)Nc1cccc(c1)Br AIFCHEM-94552711455 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.44 C/C=C/CC(=O)Nc1ccccc1 AIFCHEM-94577031294 [0,1,0,0,0,1|1,0,1]=4 83 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [0,1,0,0,0,1|2,0,0]=4 84 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.135 CCC(C)C(=O)Nc1ccncc1 AIFCHEM-94533895783 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.135 CCC(O)C(=O)Nc1ccncc1 AIFCHEM-94533902194 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.135 CCN(C)C(=O)Cc1cccnc1 AIFCHEM-94529327136 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.135 CC[C@@H](C)C(=O)Nc1ccncc1 AIFCHEM-94533900183 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.135 CC[C@@H](O)C(=O)Nc1ccncc1 AIFCHEM-94533898638 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.135 CC[C@H](C)C(=O)Nc1ccncc1 AIFCHEM-94533897972 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.135 CC[C@H](O)C(=O)Nc1ccncc1 AIFCHEM-94533900316 [0,1,0,0,0,1|2,0,0]=4 92 B13R1.135 COC(C)C(=O)Nc1ccccc1 AIFCHEM-94552044371 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.135 CO[C@@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032985 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032981 [0,1,0,0,0,1|2,0,0]=4 95 B13R1.348 CC(C)CC(=O)Nc1ccccn1 AIFCHEM-5962320555 [0,1,0,0,0,1|2,0,0]=4 96 B13R1.470 CC#CC(=O)Nc1ccccc1F AIFCHEM-6046075978 [0,1,0,0,0,1|1,0,1]=4 97 B13R1.470 CSCC(=O)Nc1ccccc1C AIFCHEM-94578152707 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.470 Cc1ccccc1NC(=O)CCO AIFCHEM-94578154680 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.405 CCCN(C(=O)C)c1ccccc1 AIFCHEM-94685539819 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.17 C#CCNC(=O)c1ccc(cc1)I AIFCHEM-94588320211 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.17 C#CCNC(=O)c1ccc(cc1)O AIFCHEM-6195946417 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94519630974 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.17 CCCNC(=O)c1ccc(cc1)O AIFCHEM-94521381894 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.17 CCCNC(=O)c1ccc(cn1)Br AIFCHEM-94521377355 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.17 O=C(NCCF)c1ccc(cn1)O AIFCHEM-94538169817 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.21 CCN(C)C(=O)c1ccc(cc1)C AIFCHEM-94563270980 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.21 CCN(C)C(=O)c1ccc(cn1)F AIFCHEM-6119323562 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.21 CCN(C)C(=O)c1ccc(cn1)I AIFCHEM-94563266535 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 AIFCHEM-94520549266 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I AIFCHEM-94520550233 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O AIFCHEM-94538165114 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.18 CCCNC(=O)c1cc(=O)cco1 AIFCHEM-5815138351 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.18 CCCNC(=O)c1cccc(=O)[nH]1 AIFCHEM-5791081821 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.18 CCCNC(=O)c1cccc(c1)Br AIFCHEM-5793005127 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.18 CCCNC(=O)c1cccc(c1)Cl AIFCHEM-94521379007 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.18 CCCNC(=O)c1cccc(c1)O AIFCHEM-94521381883 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.18 O=C(NCCF)c1cc(=O)cco1 AIFCHEM-5800886035 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.18 O=C(NCCF)c1cncc(c1)O AIFCHEM-5854221499 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.22 CCN(C)C(=O)c1ccnc(c1)O AIFCHEM-94563265557 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.22 CCN(C)C(=O)c1cncc(c1)Br AIFCHEM-6125636344 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.147 CC(C)NC(=O)c1cncc(c1)O AIFCHEM-94520547728 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.11 C#CC(C)NC(=O)c1ccccc1 AIFCHEM-94565581145 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.11 C#CC(C)NC(=O)c1ccccn1 AIFCHEM-94578921582 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.11 C#C[C@H](C)NC(=O)c1ccccc1 AIFCHEM-94565576077 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.11 C#C[C@H](C)NC(=O)c1ccccn1 AIFCHEM-94578916514 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.24 C#CCCNC(=O)c1ccccc1 AIFCHEM-94541770295 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.24 CC#CCNC(=O)c1ccccc1 AIFCHEM-94565581648 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.24 CC#CCNC(=O)c1ccncc1 AIFCHEM-5694551369 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.24 COCCNC(=O)c1ccccn1 AIFCHEM-94578913846 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.24 N#CCCNC(=O)c1cccnc1 AIFCHEM-5753900683 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.45 CC(C)CNC(=O)c1cccnc1 AIFCHEM-6179646778 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.45 NC(=O)CNC(=O)c1ccccc1 AIFCHEM-94550128274 [0,2,0,0,0,0|1,0,1]=4 133 B13R1.45 O=C(NCC(F)F)c1ccccn1 AIFCHEM-94578924796 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.674 C#CCNC(=O)c1ccccc1Cl AIFCHEM-94562153466 [0,2,0,0,0,0|1,0,1]=4 135 B13R1.674 CCCNC(=O)c1ccncc1Br AIFCHEM-94521374318 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.674 CCCNC(=O)c1ccncc1C AIFCHEM-94521378134 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.674 CCCNC(=O)c1ncccc1C AIFCHEM-94596772774 [0,2,0,0,0,0|2,0,0]=4 138 B13R1.674 CCCNC(=O)c1ncccc1I AIFCHEM-5790824832 [0,2,0,0,0,0|2,0,0]=4 139 B13R1.674 O=C(NCCF)c1ccncc1O AIFCHEM-5802153882 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.152 CC(C)N(C)C(=O)c1cccnc1 AIFCHEM-94547948982 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.696 CCN(C)C(=O)c1ccncc1Br AIFCHEM-6119352232 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.696 CCN(C)C(=O)c1ccncc1F AIFCHEM-6098308008 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.696 CCN(C)C(=O)c1ncccc1C AIFCHEM-94563262643 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.696 CCN(C)C(=O)c1ncccc1Cl AIFCHEM-94563268366 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.201 CC(C)NC(=O)c1ccc[nH]c1=O AIFCHEM-94520550156 [0,2,0,0,0,0|2,0,0]=4 146 B13R1.201 CC(C)NC(=O)c1ccncc1F AIFCHEM-94520548666 [0,2,0,0,0,0|2,0,0]=4 147 B13R1.201 CC(C)NC(=O)c1ccncc1I AIFCHEM-94520549940 [0,2,0,0,0,0|2,0,0]=4 148 B13R1.201 CC(C)NC(=O)c1ccncc1O AIFCHEM-94520543033 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.201 CC(C)NC(=O)c1ncccc1O AIFCHEM-94520551654 [0,2,0,0,0,0|2,0,0]=4 150 B13R2.26 CCNc1cc2ccccc2s1 AIFCHEM-94537421792 [0,0,0,1,0,1|1,1,0]=4 151 B13R2.444 O=C(Nc1cccnc1)C2CC2 AIFCHEM-94531010905 [0,0,0,1,0,1|2,0,0]=4 152 B13R2.1 CCNc1nsc2c1cccc2 AIFCHEM-94555776715 [0,1,0,1,0,0|1,1,0]=4 153 B13R2.3 C1=C(CCCO1)c2cccnc2 AIFCHEM-6317772196 [0,1,0,1,0,0|2,0,0]=4