0 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 O=C(O)c1ccccc1O T0649 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 O=C(O)c1ncccc1O T5986 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.15 COc1ccccc1O T3267 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.53 COc1ccccc1C(=O)O T5874 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.156 O=C(O)c1c(O)cccc1O T5873 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1Cl T22956 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 T0646 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|1,0,1]=3 34 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,0,0,0,0,1|2,0,1]=4 36 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.5 O=c1ccocc1O TL0015 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 ON1C=CC=CC1=S T12593 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [1,1,0,0,0,0|0,0,2]=4 46 B10R1.13 CC1=CCC(C(C)C)=CC1 TN2031 [1,1,0,0,0,0|0,0,2]=4 47 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 T8289 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.2 CCc1occc(=O)c1O T5566 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.1021 CC(C)c1cccc(O)c(=O)c1 T3717 [0,1,0,0,0,1|0,0,1]=3 56 B12R1.128 CC(C)(C)c1cc(O)ccc1O T5364 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O T4088 [0,2,0,0,0,0|0,0,1]=3 59 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|1,0,1]=4 62 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|0,0,0]=2 63 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,1,0,1,0,0|1,0,1]=4