0 B9R1.11 COC(=O)c1c[nH]nc1 AS07234 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 B(c1cccs1)(O)O AS06041 [1,0,0,0,0,0|1,1,1]=4 2 B8R1.7 c1nc([nH]n1)C(=O)O AS00569 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.8 c1cc(sc1)C=NO AS06778 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.14 COC(=O)c1cc(sc1)Br AS06561 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [0,0,0,0,0,1|2,0,1]=4 6 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,0,0,0,0,1|2,0,0]=3 7 B10R1.15 c1ccc(cc1)C(=O)C#N AS04664 [0,0,0,0,0,1|3,0,0]=4 8 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [0,0,0,0,0,1|3,0,0]=4 9 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [0,0,0,0,0,1|3,0,0]=4 10 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,0,0,0,0,1|3,0,0]=4 11 B7R1.1 c1cc([nH]c1)C=O AS06197 [2,0,0,0,0,0|1,0,0]=3 12 B9R0.24 COC(=O)C=CC(=O)OC AS01220 [0,1,1,0,0,0|2,0,0]=4 13 B11R1.16 CCOC(=O)c1ccccn1 AS01278 [0,1,0,0,0,1|1,0,0]=3 14 B11R1.16 c1ccc(cc1)C(=O)CCN AS05234 [0,1,0,0,0,1|2,0,0]=4 15 B11R1.22 CCC(=O)c1ccc(cc1)Br AS03828 [0,1,0,0,0,1|2,0,0]=4 16 B11R1.22 CCC(=O)c1ccc(cc1)Cl AS03849 [0,1,0,0,0,1|2,0,0]=4 17 B11R1.22 CCC(=O)c1ccc(cc1)F AS03904 [0,1,0,0,0,1|2,0,0]=4 18 B11R1.22 COC(=O)c1ccc(cc1)Br AS03617 [0,1,0,0,0,1|1,0,0]=3 19 B11R1.22 COC(=O)c1ccc(cc1)Cl AS02923 [0,1,0,0,0,1|1,0,0]=3 20 B11R1.22 COC(=O)c1ccc(cc1)F AS01318 [0,1,0,0,0,1|1,0,0]=3 21 B11R1.22 COC(=O)c1ccc(cc1)I AS02318 [0,1,0,0,0,1|1,0,0]=3 22 B11R1.22 COC(=O)c1ccc(cc1)O AS01626 [0,1,0,0,0,1|1,0,0]=3 23 B11R1.22 Cc1ccc(cc1)C(=O)OC AS01339 [0,1,0,0,0,1|1,0,0]=3 24 B11R1.23 CCC(=O)c1cccc(c1)Br AS03827 [0,1,0,0,0,1|2,0,0]=4 25 B11R1.23 CCC(=O)c1cccc(c1)C AS07217 [0,1,0,0,0,1|2,0,0]=4 26 B11R1.23 CCC(=O)c1cccc(c1)N AS05233 [0,1,0,0,0,1|2,0,0]=4 27 B11R1.23 CCC(=O)c1cccc(c1)O AS05242 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.23 CNC(=O)c1cccc(c1)N AS06601 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.23 COC(=O)c1cc(ccn1)Br AS04714 [0,1,0,0,0,1|1,0,0]=3 30 B11R1.23 COC(=O)c1cccc(c1)Br AS03616 [0,1,0,0,0,1|1,0,0]=3 31 B11R1.23 COC(=O)c1cccc(c1)I AS02317 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.23 COC(=O)c1ccnc(c1)Br AS04445 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.23 Cc1cccc(c1)C(=O)OC AS02466 [0,1,0,0,0,1|1,0,0]=3 34 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO AS04620 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.222 CCC(=O)c1ccccc1Cl AS06723 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.222 COC(=O)c1ccccc1Br AS03615 [0,1,0,0,0,1|1,0,0]=3 37 B11R1.222 COC(=O)c1ccccc1Cl AS00094 [0,1,0,0,0,1|1,0,0]=3 38 B11R1.222 COC(=O)c1ccccc1F AS01317 [0,1,0,0,0,1|1,0,0]=3 39 B11R1.222 COC(=O)c1ccccc1I AS02316 [0,1,0,0,0,1|1,0,0]=3 40 B11R1.222 COC(=O)c1ccccc1N AS01236 [0,1,0,0,0,1|1,0,0]=3 41 B11R1.44 COC(=O)c1ccc(o1)CCl AS06238 [0,2,0,0,0,0|0,0,0]=2 42 B9R1.3 Cc1cccc(c1C)O AS00199 [0,0,1,1,0,0|2,0,0]=4 43 B9R1.3 Cc1cccc(c1F)O AS01396 [0,0,1,1,0,0|2,0,0]=4 44 B9R1.3 Cc1cccc(c1I)O AS06519 [0,0,1,1,0,0|2,0,0]=4 45 B9R1.3 Cc1cccc(c1N)O AS05432 [0,0,1,1,0,0|2,0,0]=4 46 B9R1.15 COc1c(cccn1)Br AS04919 [0,0,1,1,0,0|2,0,0]=4 47 B9R1.15 COc1c(cccn1)I AS04954 [0,0,1,1,0,0|2,0,0]=4 48 B9R1.15 COc1ccccc1Br AS02357 [0,0,1,1,0,0|2,0,0]=4 49 B9R1.15 COc1ccccc1Cl AS02676 [0,0,1,1,0,0|2,0,0]=4 50 B9R1.15 COc1ccccc1F AS01803 [0,0,1,1,0,0|2,0,0]=4 51 B9R1.15 COc1ccccc1I AS02206 [0,0,1,1,0,0|2,0,0]=4 52 B9R1.15 COc1ccccc1N AS01503 [0,0,1,1,0,0|2,0,0]=4 53 B9R1.15 CSc1ccccc1O AS04298 [0,0,1,1,0,0|1,1,0]=4 54 B9R1.15 Cc1ccccc1OC AS01015 [0,0,1,1,0,0|2,0,0]=4 55 B9R1.2 CCc1cccc(c1)O AS04468 [0,0,1,1,0,0|2,0,0]=4 56 B9R1.2 CNc1cccc(c1)O AS06505 [0,0,1,1,0,0|2,0,0]=4 57 B9R1.2 COc1cccc(c1)Br AS04314 [0,0,1,1,0,0|2,0,0]=4 58 B9R1.2 COc1cccc(c1)Cl AS02677 [0,0,1,1,0,0|2,0,0]=4 59 B9R1.2 COc1cccc(c1)F AS02585 [0,0,1,1,0,0|2,0,0]=4 60 B9R1.2 COc1cccc(c1)I AS02207 [0,0,1,1,0,0|2,0,0]=4 61 B9R1.2 COc1cccc(c1)N AS01512 [0,0,1,1,0,0|2,0,0]=4 62 B9R1.2 COc1cccc(c1)O AS00218 [0,0,1,1,0,0|1,0,0]=3 63 B9R1.2 COc1cccc(c1)S AS00080 [0,0,1,1,0,0|1,1,0]=4 64 B9R1.2 COc1cccc(n1)Br AS04908 [0,0,1,1,0,0|2,0,0]=4 65 B9R1.2 Cc1cccc(c1)OC AS01016 [0,0,1,1,0,0|2,0,0]=4 66 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [1,0,0,0,0,1|2,0,0]=4 67 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [1,0,0,0,0,1|1,0,0]=3 68 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [1,0,0,0,0,1|1,0,1]=4