0 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,2]=3 27 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 NC(=S)c1ccncc1 T1365 [1,0,0,0,0,0|2,1,0]=4 34 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 OC(=O)c1cnccn1 T0569 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.19 Nc1ccc(cc1)S(N)(=O)=O T0123 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.19 Nc1ccc(cc1)[Sb](O)(O)=O T33637 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.21 Cc1cnc(c[n+]1[O-])C(O)=O T1162 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.21 Cn1cc(ccc1=O)C(N)=O T8150 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.21 Oc1ccc(cc1Cl)[N+]([O-])=O T9443 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|0,0,0]=1 75 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|2,0,0]=3 84 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [0,0,1,0,0,0|1,0,1]=3 85 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [0,0,1,0,0,0|1,0,1]=3 86 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,1,0|1,0,0]=2 87 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,0,0,0,1,0|3,0,0]=4 88 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,0,0,0,0,1|0,0,0]=1 89 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|1,0,0]=2 90 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,1|1,0,0]=2 91 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,0,0,0,0,1|2,0,0]=3 92 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,0,0,0,0,1|3,0,0]=4 93 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|2,0,0]=3 94 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,0,0,0,0,1|2,0,1]=4 95 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,1]=4 96 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 97 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,2]=4 98 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.3 COc1ccc(CO)cc1 T20309 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|0,0,1]=3 107 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,1,0,0,0,0|0,0,1]=3 112 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.15 COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.15 COC(c1ncccc1)=O T22220 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.15 NNC(=O)c1ccccn1 T1374 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|1,1,0]=4 123 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,1,0,0,0,0|0,0,1]=3 124 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|0,0,0]=2 128 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.61 OC(=O)c1ccccc1I T20881 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.61 OC(=O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.61 OC(=O)c1ccccc1O T27597 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.61 OC(=O)c1ncccc1O T5986 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.61 OC(=O)c1ncccc1S T12929 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,1,0,0,0,0|1,1,0]=4 138 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|0,0,0]=2 142 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|0,0,2]=4 144 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.113 C[n+]1cccc(c1)C([O-])=O T2887 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.113 OC(=O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 [O-][N+](=O)c1cccc(F)c1 T21175 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,1,0,0,1,0|2,0,0]=4 160 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,1,0,0,1,0|1,0,0]=3 161 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,1,0,0,0,1|1,0,0]=3 162 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,1,0,0,0,1|1,0,0]=3 165 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,1,0,0,0,1|0,0,0]=2 166 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,1,0,0,0,1|1,0,1]=4 167 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,1,0,0,0,1|1,0,1]=4 168 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,0,0,0,1|1,0,0]=3 174 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|1,0,0]=3 175 B12R1.106 CC1=CC=C(OS(=O)(O)=O)C=C1 T21977 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.106 Cc1ccc(OS([O-])(=O)=O)cc1 T19498 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,2,0,0,0,0|0,0,0]=2 179 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.6 NCc1ccc(cc1)S(N)(=O)=O T1026 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.6 NCc1ccc(cc1)S(N)(=O)=O T21258 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.6 NCc1ccc(cc1)S(N)(=O)=O T8122 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.48 COc1ccc(cc1O)C(C)=O T10112 [0,2,0,0,0,0|0,0,0]=2 184 B12R1.48 COc1ccc(cc1O)C(O)=O T5767 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.48 C[N+]1=CC(C(N)=O)=CC=C1OC T32280 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.113 CCOc1ccc(cc1)C(O)=O T20455 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.256 CC(=O)c1ccc(cc1)S(C)=O T8870 [0,2,0,0,0,0|0,0,0]=2 188 B12R1.256 CC(C)c1ccc(cc1)C(O)=O T20488 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.256 OC(=O)c1ccc(cc1)C(O)=O T8031 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.256 OC(=O)c1ccc(cc1)[N+]([O-])=O T20882 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|0,0,0]=2 192 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.9 Cc1ccc(cc1)S(=O)(=O)[N-]Cl T0669 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.9 Cc1ccc(cc1)S(=O)(=O)[N-]Cl T19587 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.126 Cc1ccc(c(O)c1)C(C)(C)O TN5868 [0,2,0,0,0,0|0,0,2]=4 196 B12R1.56 COc1cc(ccc1O)C(C)=O T6391 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.56 COc1cc(ccc1O)C(O)=O T9115 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O T4088 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.232 CC(C)c1cc(Cl)c(C)cc1O T20242 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.232 Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.367 COC(=O)c1cc(O)c(O)cc1 T1368 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.367 ONC(=O)c1ccc(O)c(O)c1 T7525 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.893 Cc1ccc(C(O)=O)c(N)[n+]1[O-] T29400 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.893 OC(=O)c1ccc(O)c(O)c1O T8023 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.1005 Cc1c(O)cc(cc1O)C(O)=O TN1239 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.1005 OC(=O)c1cc(I)c(I)c(I)c1 T8618 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.1005 OC(=O)c1cc(I)c(O)c(I)c1 T20411 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.1005 OC(=O)c1cc(O)c(O)c(O)c1 T0877 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.1000 CC(=O)C1C(=O)OC(C)=CC1=O T0899 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.1000 CC(=O)c1c([O-])cc(C)oc1=O T22427 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.1000 Cc1cc(O)cc(O)c1C(O)=O T2839 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.1000 OC(=O)c1c(O)cc(O)cc1O TN2710 [0,2,0,0,0,0|2,0,0]=4 221 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,0,0,1,0,1|2,0,0]=4 222 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,0,0,1,0,1|2,0,0]=4 223 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,0,0,1,0,1|1,0,0]=3 224 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,0,0,1,0,1|2,0,0]=4 225 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,1,0,1,0,0|2,0,0]=4 226 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,1,0|1,0,0]=3 228 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,1,0|1,0,0]=3 229 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,1,0|0,0,1]=3 230 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,1,0|1,0,0]=3 231 B8R1.7 CC(=O)c1nccs1 T8042 [1,0,0,0,1,0|2,0,0]=4 232 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,1,0|2,0,0]=4 233 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,1,0|2,0,0]=4 234 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,1,0|2,0,0]=4 235 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,0,1|2,0,0]=4 236 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|0,0,0]=2 237 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,1|0,1,0]=3 238 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,1|1,0,1]=4 239 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,1|1,0,1]=4 240 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,0,1|2,0,0]=4 241 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,2|1,0,0]=3 242 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,0,0,0,0,2|2,0,0]=4 243 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,0,0,0,0,2|0,0,0]=2 244 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,0,0,0,0,2|1,0,0]=3 245 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,0,0,0,0,2|1,0,0]=3 246 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,0,0,0,0,2|2,0,0]=4 247 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,0,0,0,0,2|2,0,0]=4 248 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,0,0,0,0,2|2,0,0]=4 249 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,0,0,0,0,2|2,0,0]=4 250 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,0,0,0,0,2|2,0,0]=4 251 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,2|2,0,0]=4 252 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,0,0,0,0,2|2,0,0]=4