0 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,1]=2 4 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,1]=2 6 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|0,0,2]=3 22 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,0,0|1,0,0]=2 29 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|1,0,1]=3 30 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|1,0,1]=3 31 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 33 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,1]=3 34 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,1]=3 42 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [1,1,0,0,0,0|1,0,1]=4 56 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,1,0,0,0,0|0,0,1]=3 58 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,1,0,0,0,0|0,0,1]=3 59 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|0,0,2]=4 61 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|0,1,1]=4 62 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.18 O=C(O)Cc1cccnc1 T1366 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,1|1,0,0]=3 67 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,1|1,0,1]=4 68 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,1,0,0,0,1|1,0,0]=3 69 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,1,0,0,0,1|1,0,0]=3 71 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,1|1,0,1]=4 72 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(O)=C1 T23259 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.225 O=C(O)C(O)c1cccc(O)c1 T7634 [0,2,0,0,0,0|1,0,0]=3 78 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|0,0,2]=4 79 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,1|1,0,1]=4 80 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,1,0,0|0,0,2]=4