0 B11R1.3 B(c1ccc(cc1)C=O)(O)O ACT02218 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 CC(C)c1ccc(cc1)C#C ACT09338 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CC(C)c1ccc(cc1)NN ACT06841 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT00382 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT02367 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] ACT11889 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.3 CCc1ccc(cc1)NN ACT08278 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.3 COc1ccc(cn1)C=O ACT05370 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.3 COc1ccc(nc1)C=O ACT09131 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.3 c1cc(ccc1CN)CO ACT09568 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.13 CC(C)c1ccc(nn1)Cl ACT09871 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.6 CC(C)(C)c1ccc(cc1)NN ACT03795 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O ACT09079 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O ACT10934 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] ACT04846 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.4 CC(=O)Oc1ccc(cc1)C=C ACT09060 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 COc1ccc(cc1)Br ACT04984 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.1 Cc1ccc(cc1)NN ACT01152 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.1 c1cc(ccc1C=O)O ACT01156 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.1 c1cc(ccc1CO)N ACT00253 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 CN(C)c1ccncc1 ACT01613 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.19 CC(C)(c1ccc(cc1)Br)O ACT09221 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.22 c1cc(ccc1C(CO)O)Br ACT11166 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.166 CC(C)c1ccc(cc1O)O ACT11045 [1,1,0,0,0,0|0,0,1]=3 42 B11R1.166 C[C@H](c1ccc(cc1F)Br)N ACT10400 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC ACT01093 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.537 c1cc(ccc1C(=O)CBr)C(=O)O ACT00937 [0,2,0,0,0,0|1,0,1]=4 45 B13R1.38 CC(C)(C)c1ccc(c(c1)O)C=O ACT01036 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.338 B(c1ccc(cc1)C(C)(C)C)(O)O ACT04242 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F ACT06936 [0,2,0,0,0,0|2,0,0]=4 48 B11R2.34 c1cc(ccc1C2CO2)Br ACT09536 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.21 c1cc(oc1CO)C=O ACT06567 [1,0,0,0,1,0|2,0,0]=4