0 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.13 c1cc(ccc1C(=O)[O-])N 18659 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.13 c1cc(ncc1C(=O)N)N 10009315 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 c1cc(ncc1C(=S)N)N 13389 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.6 c1cc(cnc1)C(=O)N 11127 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 c1ccc(cc1)C(=N)N 20651 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.6 c1ccnc(c1)C(=S)N 13043 [1,0,0,0,0,0|2,1,0]=4 8 B9R1.6 c1cnc(nc1)C(=O)O 10007123 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 c1cnccc1C(=S)N 13056 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.6 c1cncnc1C(=O)O 10010564 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 c1cncnc1C(=O)[O-] 10007113 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.3 COc1ccc(cc1)C(=S)N 10552 [0,1,0,0,0,0|1,1,0]=3 13 B11R1.21 Cn1cc(ccc1=O)C(=O)N 20507 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.21 c1cc(c(cc1C(=O)O)O)O 14916 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N 13231 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.22 c1cc(ccc1C(=O)CBr)O 19766 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.22 c1cc(ccc1C(=O)NN)N 14845 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.22 c1cc(ccc1C(CN)O)O 14279 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.22 c1cc(ccc1\C(=N\O)\N)N 11053 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.22 c1cc(ncc1\C(=N\O)\N)N 13384 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 16115 [0,0,0,0,0,1|1,0,1]=3 22 B11R1.20 CC(=O)Nc1ccc(cc1)O 10024 [0,0,0,0,0,1|1,0,0]=2 23 B11R1.20 CC(Cc1ccc(cc1)O)N 9001830 [0,0,0,0,0,1|2,0,1]=4 24 B8R1.2 c1ccc(cc1)N=O 21009 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.1 c1cc(ccc1CCN)O 18601 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.15 COC(=O)c1ccncn1 10007114 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.15 COC(=O)c1ncccn1 10007119 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.15 c1cc(cnc1)\C(=N\O)\N 13004 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.15 c1ccnc(c1)\C(=N\O)\N 13003 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.15 c1cnccc1C(=O)NN 20378 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.15 c1cnccc1\C(=N\O)\N 13005 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.61 c1cc(c(nc1)C(=O)O)S 20895 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.61 c1ccc(c(c1)C(=O)O)N 18708 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.61 c1cncc(c1N)C(=O)O 20733 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.113 C[n+]1cccc(c1)C(=O)N 16604 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 C[n+]1cccc(c1)C(=O)O 11904 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [1,1,0,0,0,0|1,1,0]=4 42 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 19522 [0,1,0,0,0,1|1,0,0]=3 43 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 19522 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.20 CC(=O)C(c1ccc(cc1)F)N 9001146 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.106 c1cc(ccc1N)OP(=O)(O)[O-] 17293 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.5 COc1ccc(cc1)C(=O)CBr 20629 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.452 CC(=O)c1ccc(cc1O)OC 19862 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.56 CC(=O)c1ccc(c(c1)OC)O 11976 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.367 c1cc(c(cc1C(=O)NO)O)O 10009081 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O 16673 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O 11846 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.16 CCOC(=O)c1ccc(cc1)N 20132 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O 19451 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O 19451 [0,2,0,0,0,0|1,0,0]=3 55 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 18869 [0,0,0,1,0,1|2,0,0]=4 56 B10R1.18 CC(=O)Cc1ccccc1 16103 [1,0,0,0,0,1|1,0,0]=3 57 B10R1.18 CC(=O)Cc1ccccc1 16444 [1,0,0,0,0,1|1,0,0]=3 58 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [1,0,0,0,0,1|0,0,0]=2 59 B10R1.18 c1cnc(nc1)CC(=O)O 10007116 [1,0,0,0,0,1|2,0,0]=4 60 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O 20929 [0,0,0,0,0,2|0,0,0]=2