0 B9R1.2 CCc1cccc(N)c1 T21169 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.2 CCc1cccc(O)c1 T21170 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.2 CNc1cccc(C)c1 T0557 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.2 COc1cccc(Br)c1 T21218 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.2 COc1cccc(C)c1 T21278 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.2 COc1cccc(O)c1 T20294 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 ClCc1cccc(Cl)c1 T21091 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 Fc1cccc(CCl)c1 T21179 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.2 OCc1cccc(I)c1 T21214 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.2 OCc1cccc(O)c1 T4760 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.4 Cc1cccc(O)c1 T33229 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.4 Cc1cccc([O-])c1 T33983 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.4 Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.10 CCOc1cccc(O)c1 T20297 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.10 Cc1cccc(CC#N)c1 T33456 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.10 NCCc1cccc(O)c1 T11937 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.10 NCCc1cccc(O)c1 T11937L [0,1,0,0,0,0|3,0,0]=4 25 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.30 COc1cc(C)ccc1O T20446 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,0,0,0,1,0|2,0,1]=4 35 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,0,0,0,1,0|2,0,1]=4 36 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,0]=3 37 B7R1.3 Clc1cnccn1 T2193 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.3 Nc1nccnn1 T8826 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.1 Clc1cnc(cn1)C#N T3507 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.1 OCc1ccc(cn1)O T40502 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.6 CC(=O)c1cnccn1 T5596 [1,1,0,0,0,0|0,0,1]=3 43 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.6 NC(=O)c1cnccn1 T1426 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.6 OC(=O)c1cnccn1 T0569 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.8 NCCc1ccccn1 T22501 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [1,1,0,0,0,0|0,0,0]=2 55 B9R1.7 Cn1cnc(CCN)c1 T13487 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.7 Cn1cnc(CCN)c1 T8790 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,1,0|1,0,1]=4 58 B9R1.33 Cn1cncc1CCN T4940 [0,1,0,0,1,0|1,0,0]=3 59 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.189 COc1cccc(CCN)c1 T7855 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.266 CCc1cccc(c1)C(C)C T31110 [0,2,0,0,0,0|2,0,0]=4 63 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,1,0|2,0,0]=4 64 B7R1.2 Cn1ccc(N)n1 T3295 [1,0,0,0,1,0|2,0,0]=4