0 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,0,0,0,0,0|1,0,0]=2 1 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 2 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.15 COc1ccccc1O T3267 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|2,0,1]=4 11 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,0|1,1,1]=4 12 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.33 Cn1cncc1CCN T4940 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 15 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 16 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|1,0,0]=3 17 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.5 Nc1ccncc1N T4497 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|1,0,0]=3 21 B8R1.5 O=c1ccocc1O TL0015 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.5 ON1C=CC=CC1=S T12593 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 24 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [1,1,0,0,0,0|0,0,0]=2 29 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 33 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.2 CCc1occc(=O)c1O T5566 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.69 Nc1ccc(OCCO)c(N)c1 T5672 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.121 COc1ccccc1OCCN T1698 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352L [0,2,0,0,0,0|0,0,0]=2 54 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.270 CCOc1cc(C=O)ccc1O T0491 [0,2,0,0,0,0|2,0,0]=4 56 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,1,0,1,0,0|1,0,0]=3 59 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [0,1,0,1,0,0|1,0,1]=4 60 B12R2.221 Oc1ccc(Cl)c2c1CCC2 T1253 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.8 NCCC1=CNC=N1 T6535 [1,0,0,0,1,0|2,0,0]=4