0 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC1=CCC(C(C)C)=CC1 TN2031 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 T8289 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,2]=3 16 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|1,0,2]=4 48 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,1|1,0,2]=4 49 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|2,0,1]=4 50 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 T19475 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,2]=4 54 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,0]=2 55 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.176 O=c1cc(CO)occ1O T5889 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,0]=2 68 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.4 COc1ccc(CC(=O)O)cc1 T5590 [0,1,0,0,0,1|1,0,1]=4 73 B12R1.1021 CC(C)c1cccc(O)c(=O)c1 T3717 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.5 COc1ccc(C(=O)CBr)cc1 T7541 [0,2,0,0,0,0|0,0,2]=4 75 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 T10112 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.48 COc1ccc(C(=O)O)cc1O T5767 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|0,0,2]=4 79 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O T4088 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 T13655 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.367 OCC(O)c1ccc(O)c(O)c1 TQ0281 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.1005 Cc1c(O)cc(C(=O)O)cc1O TN1239 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [0,2,0,0,0,0|1,0,0]=3 89 B12R2.612 OB1OCc2cc(Cl)ccc21 T4040 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.612 OB1OCc2cc(F)ccc21 T3349 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|0,0,2]=4