0 B9R1.13 c1c(nc[nH]1)CC(=O)O BC224082 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 c1cc(sc1)CC(=O)Cl BC684363 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.13 c1cc(sc1)CC(=O)O BC201507 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.13 c1cn(cn1)CC(=O)O BC216129 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.13 c1cn(cn1)CC(=O)O BC216598 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.13 c1cnc([nH]1)CC(=O)O BC237657 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.13 c1cnn(c1)CC(=O)O BC620120 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.23 c1cscc1C(C(=O)O)N BC652917 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.64 Cn1cccc1CC(=O)O BC208058 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.5 CCOC(=O)CC(=O)C BC202411 [0,0,1,0,0,0|1,0,2]=4 10 B8R1.7 B(c1ccco1)(O)O BC210622 [0,0,0,0,1,0|2,0,1]=4 11 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [0,0,0,0,1,0|3,0,0]=4 12 B8R1.7 c1c(nco1)C(=O)O BC677324 [0,0,0,0,1,0|3,0,0]=4 13 B8R1.7 c1c(scn1)C(=O)O BC677323 [0,0,0,0,1,0|2,1,0]=4 14 B8R1.7 c1c[nH]nc1C(=O)O BC203654 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [0,0,0,0,1,0|2,0,0]=3 16 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [0,0,0,0,1,0|1,0,0]=2 17 B8R1.7 c1cnsc1C(=O)O BC202175 [0,0,0,0,1,0|2,1,0]=4 18 B8R1.7 c1cocc1C(=O)Cl BC650563 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.7 c1conc1C(=O)O BC207645 [0,0,0,0,1,0|3,0,0]=4 20 B8R1.7 c1csc(n1)C(=O)O BC651955 [0,0,0,0,1,0|2,1,0]=4 21 B8R1.7 c1cscc1C(=O)Cl BC681079 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.7 c1cscc1C(=O)O BC213229 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,0,0,0,0,1|1,0,0]=2 24 B10R1.18 c1c(cncn1)CC(=O)O BC228079 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.18 c1cc(cnc1)CC(=O)O BC228147 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.18 c1cnccc1CC(=O)O BC220630 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.66 c1c([nH]cn1)CCC(=O)O BC244534 [0,0,0,0,0,1|3,0,0]=4 30 B7R1.1 CCc1cccs1 BC210545 [2,0,0,0,0,0|0,1,0]=3 31 B7R1.1 c1c(nc[nH]1)C=O BC207063 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.1 c1c(scn1)C=O BC678913 [2,0,0,0,0,0|1,1,0]=4 33 B7R1.1 c1c[nH]nc1C=O BC207627 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.1 c1cc([nH]c1)C=O BC210794 [2,0,0,0,0,0|1,0,0]=3 35 B7R1.1 c1cc([nH]c1)CN BC620340 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.1 c1cc(sc1)C=O BC225721 [2,0,0,0,0,0|0,1,0]=3 37 B7R1.1 c1cnc([nH]1)C=O BC219962 [2,0,0,0,0,0|2,0,0]=4 38 B7R1.1 c1cnsc1C=O BC677321 [2,0,0,0,0,0|1,1,0]=4 39 B7R1.1 c1coc(n1)CCl BC670136 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 c1conc1C=O BC201897 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.1 c1cscc1C=O BC676777 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.4 CC(=O)CC(=O)OCC=C BC677519 [0,1,1,0,0,0|1,0,0]=3 43 B9R1.11 COC(=O)c1ccco1 BC218745 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.35 CC(=O)c1cc(cs1)Cl BC226225 [0,1,0,0,1,0|0,1,0]=3 45 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,1,0,0,1,0|2,0,0]=4 46 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,1,0,0,1,0|0,0,0]=2 47 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [0,1,0,0,1,0|1,1,0]=4 48 B9R1.35 c1c(csc1C(=O)O)Br BC676028 [0,1,0,0,1,0|1,1,0]=4 49 B9R1.35 c1cc(sc1C(=O)O)Cl BC219931 [0,1,0,0,1,0|1,1,0]=4 50 B9R1.41 Cc1c(ocn1)C(=O)O BC689523 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.41 c1csc(c1N)C(=O)O BC288632 [0,1,0,0,1,0|1,1,0]=4 52 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [0,1,0,0,0,1|1,0,0]=3 53 B11R1.20 CC(=O)Nc1ccc(cc1)O BC204766 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.20 CC(=O)Nc1ccc(cc1)S BC210348 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.20 c1cc(ccc1CC(=O)O)Br BC203407 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.20 c1cc(ccc1CC(=O)O)O BC228201 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.36 c1ccc(cc1)C(C(=O)N)N BC216078 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N BC675296 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.40 c1ccc(cc1)OC(=O)CBr BC200214 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.86 CC(=O)Cc1ccccc1Br BC202120 [0,1,0,0,0,1|1,0,0]=3 64 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F BC204059 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.86 c1ccc(c(c1)CC(=O)O)Br BC210254 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl BC675213 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.157 c1c(cncc1Br)CC(=O)O BC670873 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.157 c1cc(cc(c1)Br)CC(=O)O BC210255 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O BC226914 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.157 c1cc(cc(c1)I)CC(=O)O BC227537 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.157 c1cc(cc(c1)N)CC(=O)O BC676470 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.228 Cn1cccc1CC(=O)OC BC219762 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,0,1,1,0,0|1,0,1]=4 74 B9R1.6 CC(=O)c1cccnc1 BC207736 [0,0,1,1,0,0|1,0,1]=4 75 B11R2.10 c1cc2c(nc1)CC(=O)N2 BC684571 [0,0,0,1,0,1|2,0,0]=4 76 B11R2.10 c1ccc2c(c1)CC(=O)C2 BC214987 [0,0,0,1,0,1|1,0,0]=3 77 B9R1.8 c1ccc(cc1)CC=O BC250050 [1,0,0,0,0,1|1,0,0]=3 78 B11R1.91 c1ccc(cc1)COC(=O)N BC219591 [0,0,0,0,0,2|2,0,0]=4 79 B11R1.91 c1ccnc(c1)OCC(=O)O BC682036 [0,0,0,0,0,2|2,0,0]=4