0 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 B(c1ccco1)(O)O LS11074 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.7 B(c1cccs1)(O)O LS00104 [1,0,0,0,0,0|1,1,1]=4 5 B8R1.7 C1C=CCC1C(=O)O LS41644 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,0,0|0,1,0]=2 8 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.7 c1c(con1)C(=O)O LS20144 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 c1c(ncs1)C(=O)N LS21083 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,0,0|0,1,0]=2 18 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,0,0|0,1,1]=3 19 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 c1cnoc1C(=O)O LS20280 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.7 c1conc1C(=O)O LS20146 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.11 CCOC(=O)c1[nH]ccn1 LS20562 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.11 CCOC(=O)c1ccc[nH]1 LS20212 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.11 CCOC(=O)c1cnoc1 LS20145 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.11 CCOC(=O)c1cocn1 LS20054 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.14 COC(=O)c1cc(c[nH]1)Br LS20815 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.14 COC(=O)c1cnc(s1)Br LS20024 [0,1,0,0,0,0|1,1,0]=3 30 B10R1.14 Cc1cnc(s1)C(=O)OC LS20100 [0,1,0,0,0,0|1,1,0]=3 31 B10R1.14 Cc1csc(n1)C(=O)OC LS40336 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.14 Cn1cnc(n1)C(=O)OC LS20102 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [0,1,0,0,0,0|0,1,0]=2 34 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.149 Cn1cncc1C(=O)OC LS20172 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,0,0,0,0,1|1,0,0]=2 37 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.27 COC(=O)Cn1ccnc1 LS70037 [0,0,0,0,0,1|3,0,0]=4 41 B7R1.1 c1c(nc[nH]1)C=O LS20992 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.1 c1c(ncs1)C=O LS21128 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.1 c1cc([nH]c1)C=O LS00119 [2,0,0,0,0,0|1,0,0]=3 44 B7R1.1 c1cc(sc1)C=O LS40350 [2,0,0,0,0,0|0,1,0]=3 45 B7R1.1 c1cc(sc1)CO LS20642 [2,0,0,0,0,0|0,1,1]=4 46 B7R1.1 c1cnc([nH]1)C=O LS20564 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.1 c1csc(n1)C=O LS20580 [2,0,0,0,0,0|1,1,0]=4 48 B7R1.1 c1cscc1C=O LS20646 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.35 B(c1ccc(o1)C)(O)O LS11076 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [1,1,0,0,0,0|0,1,0]=3 53 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [1,1,0,0,0,0|1,1,0]=4 54 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [1,1,0,0,0,0|0,1,0]=3 55 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [1,1,0,0,0,0|1,1,0]=4 56 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [1,1,0,0,0,0|0,1,0]=3 57 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [1,1,0,0,0,0|0,1,0]=3 58 B9R1.41 Cc1ccsc1C(=O)O LS20659 [1,1,0,0,0,0|0,1,0]=3 59 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [1,1,0,0,0,0|0,1,0]=3 61 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [1,1,0,0,0,0|0,1,0]=3 63 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.16 CCOC(=O)c1cccnc1 LS00014 [0,1,0,0,0,1|1,0,0]=3 65 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [0,1,0,0,0,1|1,0,0]=3 67 B11R1.22 COC(=O)c1cnc(nc1)Cl LS20786 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [0,1,0,0,0,1|1,0,0]=3 69 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.23 CNC(=O)c1cc(ccn1)Cl LS21026 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.23 COC(=O)c1cc(ccn1)Cl LS20268 [0,1,0,0,0,1|1,0,0]=3 72 B11R1.23 COC(=O)c1cc(cnc1)Br LS20201 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [0,1,0,0,0,1|1,0,0]=3 74 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.39 COC(=O)Cn1cc(cn1)Br LS20824 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.15 CCOC(=O)c1cc(c[nH]1)C LS40876 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.15 CCOC(=O)c1cc(n[nH]1)C LS20808 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.15 CCOC(=O)c1cnc(s1)Br LS20215 [0,2,0,0,0,0|1,1,0]=4 82 B11R1.15 CCOC(=O)c1coc(n1)N LS20701 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.199 CCOC(=O)c1c(cc[nH]1)N LS20835 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.199 CCOC(=O)c1c(nc[nH]1)C LS20171 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.199 CCOC(=O)c1c(scn1)C LS20199 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.3 Cc1cccc(c1F)O LS10317 [0,0,1,1,0,0|2,0,0]=4 87 B9R1.15 COc1c(cccn1)I LS20331 [0,0,1,1,0,0|2,0,0]=4 88 B9R1.2 COc1cccc(n1)Cl LS20709 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.2 COc1cccc(n1)N LS20232 [0,0,1,1,0,0|2,0,0]=4 90 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,0,0,1,0,1|1,0,0]=3 91 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,1|1,0,0]=3 92 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,1|1,0,0]=3 93 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [1,0,0,0,0,1|1,0,0]=3 94 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [1,0,0,0,0,1|1,0,0]=3 95 B9R1.6 c1cncnc1C(=O)O LS20389 [1,0,0,0,0,1|1,0,0]=3