0 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,0,0,0,0,0|0,0,1]=2 14 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|0,0,1]=2 30 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [0,1,0,0,0,0|0,0,1]=2 35 B11R1.19 Nc1ccc(S(N)(=O)=O)cc1 T0123 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.21 CN1C=C(C(N)=O)C=CC1=O T8150 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.21 Cc1cnc(C(=O)O)c[n+]1[O-] T1162 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.21 Cn1cc(C(=O)O)ccc1=O T6981 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|1,0,0]=2 58 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,1|1,0,0]=2 59 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|0,0,0]=1 60 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,0,0,0,0,1|2,0,1]=4 61 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 62 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,1]=3 63 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,1]=3 71 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.176 O=c1cc(CO)occ1O T5889 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.15 COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.15 N=C(NO)c1ccccn1 T20580 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,2]=4 83 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.61 O=C(O)c1ncccc1O T5986 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.31 O=C(O)c1ccc(CO)o1 T5278 [0,1,0,0,1,0|1,0,0]=3 101 B12R1.4 COc1ccc(CC(=O)O)cc1 T5590 [0,1,0,0,0,1|0,0,0]=2 102 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 T19175 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,0,1|0,0,0]=2 104 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [0,1,0,0,0,1|0,0,0]=2 106 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [0,1,0,0,0,1|0,0,0]=2 107 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|0,0,0]=2 108 B12R1.5 COc1ccc(C(=O)CBr)cc1 T7541 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 T10112 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.48 COc1ccc(C(=O)O)cc1O T5767 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.256 O=C(O)c1ccc(C(=O)O)cc1 T8031 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|0,0,0]=2 117 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 T13655 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.367 O=C(NO)c1ccc(O)c(O)c1 T7525 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.367 OCC(O)c1ccc(O)c(O)c1 TQ0281 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.893 O=C(O)c1ccc(O)c(O)c1O T8023 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.1005 Cc1c(O)cc(C(=O)O)cc1O TN1239 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.1005 O=C(O)c1cc(I)c(I)c(I)c1 T8618 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.1005 O=C(O)c1cc(O)c(O)c(O)c1 T0877 [0,2,0,0,0,0|0,0,0]=2 128 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 T6782 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|0,0,0]=2 132 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.1000 Cc1cc(O)cc(O)c1C(=O)O T2839 [0,2,0,0,0,0|0,0,0]=2 136 B12R2.606 O=c1oc2cc(O)ccc2s1 T0515 [0,0,0,1,0,1|0,0,0]=2 137 B12R2.612 O=c1nsc2cc(F)ccc12 T5601 [0,1,0,1,0,0|1,1,0]=4 138 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,0,1,0,1,0|1,0,1]=4 139 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,0,1,0,1,0|1,0,1]=4 140 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,0,1,0,1,0|1,0,1]=4 141 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,1,0|1,0,0]=3 143 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,1,0|1,0,0]=3 144 B8R1.7 O=C(O)c1cnsc1 T4675 [1,0,0,0,1,0|2,0,0]=4 145 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|1,0,0]=3 146 B10R1.18 O=C(O)Cc1cccnc1 T1366 [1,0,0,0,0,1|1,0,0]=3 147 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,2|1,0,0]=3 148 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,2|0,0,0]=2 149 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,0,0,0,0,2|0,0,0]=2 150 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,0,0,0,0,2|0,0,0]=2