0 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)COc1ccccc1 CM11227 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.164 c1cc(c(cc1Br)Cl)C=CC(=O)O CM13575 [0,1,0,0,0,0|1,0,0]=2 3 B13R1.528 COC(=O)CCc1ccccc1Br CM13746 [0,1,0,0,0,0|1,0,2]=4 4 B13R1.893 c1cc(c(cc1F)C=CC(=O)O)F CM13577 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.435 c1cc2cc(sc2nc1)C(=O)O CM10774 [0,0,0,1,0,0|1,1,0]=3 6 B13R2.435 c1cncc2c1sc(c2)C(=O)O CM10782 [0,0,0,1,0,0|1,1,0]=3 7 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 CM10584 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,0,0,0,1,0|2,0,1]=4 10 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,0,0,0,1,0|2,0,1]=4 11 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.21 c1cc(ncc1C=CC(=O)O)N CM11013 [1,1,0,0,0,0|1,0,0]=3 13 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [1,1,0,0,0,0|0,0,2]=4 14 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] CM13917 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [1,1,0,0,0,0|0,0,0]=2 16 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N CM13682 [0,1,0,0,1,0|1,0,1]=4 17 B12R1.127 c1cc(c(cc1Br)CC(=O)O)Br CM13689 [0,1,0,0,1,0|1,0,1]=4 18 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F CM10070 [0,1,0,0,1,0|1,0,1]=4 19 B12R1.224 Cc1cccc(c1C)CC(=O)O CM13696 [0,1,0,0,1,0|1,0,1]=4 20 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O CM13655 [0,1,0,0,1,0|1,0,1]=4 21 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O CM13670 [0,1,0,0,1,0|1,0,1]=4 22 B12R1.233 c1cc(c(cc1F)F)CC(=O)O CM13690 [0,1,0,0,1,0|1,0,1]=4 23 B12R1.233 c1cc(c(cc1N)F)CC(=O)O CM13648 [0,1,0,0,1,0|1,0,1]=4 24 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F CM13665 [0,1,0,0,1,0|1,0,1]=4 25 B14R1.587 COC(=O)CC(=O)c1ccccc1Cl CM13755 [0,2,0,0,0,0|1,0,1]=4 26 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O CM10476 [0,0,1,1,0,0|1,0,1]=4 27 B12R1.258 CC(=O)c1cccc(c1)C(=O)O CM12340 [0,0,1,1,0,0|0,0,2]=4 28 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [1,0,0,1,0,0|2,0,0]=4 29 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [1,0,0,1,0,0|2,0,0]=4 30 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [1,0,0,1,0,0|2,0,0]=4 31 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [1,0,0,1,0,0|2,0,0]=4 32 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O CM14084 [0,0,0,1,0,1|1,0,0]=3 34 B14R2.7969 Cc1cccc2c1cc(s2)C(=O)O CM10546 [0,1,0,1,0,0|0,1,0]=3 35 B14R2.7969 Cc1cccc2c1sc(c2)C(=O)O CM10716 [0,1,0,1,0,0|0,1,0]=3 36 B14R2.7969 c1c2c(cncc2Br)sc1C(=O)O CM10776 [0,1,0,1,0,0|1,1,0]=4 37 B14R2.7969 c1c2c(cncc2Cl)sc1C(=O)O CM10777 [0,1,0,1,0,0|1,1,0]=4 38 B14R2.7969 c1c2c(cncc2sc1C(=O)O)F CM10778 [0,1,0,1,0,0|1,1,0]=4 39 B14R2.7969 c1cc(c2cc(sc2c1)C(=O)O)F CM10720 [0,1,0,1,0,0|0,1,0]=3 40 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br CM10718 [0,1,0,1,0,0|0,1,0]=3 41 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O CM13596 [0,1,0,1,0,0|1,0,0]=3 42 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O CM10717 [0,1,0,1,0,0|0,1,0]=3 43 B14R2.7969 c1cc2cc(sc2c(c1)F)C(=O)O CM10719 [0,1,0,1,0,0|0,1,0]=3 44 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O CM13617 [0,1,0,1,0,0|1,0,0]=3 45 B14R2.4529 Cc1ccc2cc(sc2c1)C(=O)O CM13912 [0,1,0,1,0,0|0,1,0]=3 46 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br CM13591 [0,1,0,1,0,0|1,0,0]=3 47 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F CM13608 [0,1,0,1,0,0|1,0,0]=3 48 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br CM10749 [0,1,0,1,0,0|0,0,0]=2 49 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br CM10506 [0,1,0,1,0,0|0,1,0]=3 50 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O CM10748 [0,1,0,1,0,0|0,0,0]=2 51 B14R2.4529 c1cc2c(cc1Br)cc(s2)C(=O)O CM10713 [0,1,0,1,0,0|0,1,0]=3 52 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O CM10766 [0,1,0,1,0,0|0,0,0]=2 53 B14R2.4529 c1cc2c(cc1Cl)cc(s2)C(=O)O CM10714 [0,1,0,1,0,0|0,1,0]=3 54 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O CM13610 [0,1,0,1,0,0|1,0,0]=3 55 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O CM10767 [0,1,0,1,0,0|0,0,0]=2 56 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O CM10715 [0,1,0,1,0,0|0,1,0]=3 57 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,0,0,0,2,0|2,0,0]=4 58 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,0,0,0,2,0|2,0,0]=4 59 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,0,0,0,2,0|2,0,0]=4 60 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,0,0,0,2,0|1,0,0]=3 61 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,0,0,0,2,0|1,0,0]=3 62 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [0,0,0,0,2,0|2,0,0]=4