0 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.3 COc1ccc(CO)cc1 T20309 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [1,0,0,0,0,0|0,0,3]=4 8 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [1,0,0,0,0,0|0,0,3]=4 9 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [1,0,0,0,0,0|0,0,3]=4 10 B10R1.13 CC(C)C1CCC(=C)C=C1 T5621 [1,0,0,0,0,0|0,0,3]=4 11 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [1,0,0,0,0,0|0,0,3]=4 12 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.256 CC(=O)c1ccc(cc1)S(C)=O T8870 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.256 CC(C)c1ccc(cc1)C(O)=O T20488 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.256 OC(=O)c1ccc(cc1)C(O)=O T8031 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.256 OC(=O)c1ccc(cc1)[N+]([O-])=O T20882 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|0,0,1]=3 18 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.1 NCc1ccc(O)cc1 T21095 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.1 OCc1ccc(O)cc1 T3752 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.83 COc1ccc(C=CC)cc1 T0014 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.83 COc1ccc(CC=C)cc1 T5649 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.279 COc1ccc(C=O)cc1O T3740 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [1,1,0,0,0,0|0,0,1]=3 33 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [1,1,0,0,0,0|0,0,1]=3 34 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [1,1,0,0,0,0|0,0,1]=3 35 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [1,1,0,0,0,0|0,0,1]=3 37 B13R1.585 CC(=O)Nc1ccc(cc1)C(O)=O T0315 [0,1,0,0,0,1|1,0,1]=4 38 B13R1.585 CC(=O)Oc1ccc(cc1)C(C)=O T20353 [0,1,0,0,0,1|1,0,1]=4 39 B13R1.585 CC(=O)Oc1ccc(cc1)C(O)=O T20457 [0,1,0,0,0,1|1,0,1]=4 40 B13R1.585 CC(C)Cc1ccc(cc1)C(C)=O T0597 [0,1,0,0,0,1|0,0,0]=2 41 B13R1.585 CC(C)Oc1ccc(cc1)C(O)=O T24977 [0,1,0,0,0,1|0,0,0]=2 42 B13R1.39 CCN(CC)c1ccc(C=O)cc1 T10140 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C T0549 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.74 CN(C)c1ccc(C=CC=O)cc1 TN6657 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,0,1,1,0,0|2,0,0]=4 46 B9R1.21 OCc1ccc(C=O)o1 T2943 [1,0,0,0,1,0|2,0,0]=4 47 B11R1.266 CCc1cccc(c1)C(C)C T31110 [0,0,0,0,1,1|1,0,1]=4