0 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|0,0,1]=2 14 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.20 NC(Nc1ccc(cc1)Cl)=N T21703 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|0,0,1]=2 27 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,1,0,0,0,0|0,0,1]=2 31 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.157 NC(=O)Nc1cccc(O)c1 T21201 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.509 FS(=O)(=O)Cc1ccccc1 T0789 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,0,1,0,0,0|0,0,2]=3 47 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,0|2,1,0]=4 50 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,0|1,0,0]=2 51 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [0,0,0,1,0,0|2,0,0]=3 52 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [0,0,0,1,0,0|1,0,0]=2 53 B11R2.10 Sc1nc2ccccc2s1 T19856 [0,0,0,1,0,0|1,2,0]=4 54 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [0,0,0,1,0,0|2,1,0]=4 55 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,1,0|1,0,0]=2 56 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,1,0|1,0,1]=3 58 B9R1.6 NC(=N)c1ccccc1 T8362 [0,0,0,0,1,0|2,0,0]=3 59 B9R1.6 NC(=O)c1ccccc1 T6780 [0,0,0,0,1,0|1,0,0]=2 60 B9R1.6 NC(=O)c1ccccn1 T6942 [0,0,0,0,1,0|2,0,0]=3 61 B9R1.6 NC(=O)c1cccnc1 T0934 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.6 NC(=O)c1ccncc1 T0552 [0,0,0,0,1,0|2,0,0]=3 63 B9R1.6 NC(=O)c1cnccn1 T1426 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.6 NC(=S)c1ccncc1 T1365 [0,0,0,0,1,0|2,1,0]=4 65 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,0,0,1,0|1,0,0]=2 66 B9R1.6 OB(O)c1ccccc1 T30355 [0,0,0,0,1,0|1,0,1]=3 67 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,0,0,1,0|0,0,0]=1 68 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,0,0,1,0|1,0,0]=2 69 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,0,0,1,0|1,0,0]=2 70 B9R1.6 OC(=O)c1ccncc1 Fr13756 [0,0,0,0,1,0|1,0,0]=2 71 B9R1.6 OC(=O)c1cnccn1 T0569 [0,0,0,0,1,0|2,0,0]=3 72 B9R1.6 OP(=O)c1ccccc1 T20416 [0,0,0,0,1,0|1,0,0]=2 73 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,0,0,0,1,0|0,0,1]=2 74 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [0,0,0,0,1,0|1,0,1]=3 75 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [0,0,0,0,1,0|2,0,0]=3 76 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [0,0,0,0,1,0|2,0,0]=3 77 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,0,1|1,0,1]=3 78 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,0,1|1,0,1]=3 79 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,0,1|1,0,0]=2 80 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,0,1|1,0,0]=2 81 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,1|1,0,0]=2 82 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,1|1,0,0]=2 83 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,0,1|1,0,0]=2 85 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [0,0,0,0,0,1|2,0,0]=3 86 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,0,0,0,1|1,0,1]=3 87 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,0,0,0,1|1,0,1]=3 88 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,0,0,0,1|0,0,1]=2 89 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,0,1|0,0,0]=1 90 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,0,0,0,1|0,0,1]=2 91 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 92 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 94 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,0]=2 95 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.4 O/N=C/c1ccccc1O T20346 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,1]=4 108 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,1,0,0,0,0|0,0,1]=3 114 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,1]=3 116 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,1,0,0,0,0|0,0,1]=3 120 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,1,0,0,0,0|0,0,1]=3 121 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|0,0,0]=2 122 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|0,0,1]=3 123 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|0,0,1]=3 124 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|0,0,1]=3 126 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|0,1,1]=4 127 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,1,0|1,0,0]=3 128 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,1,0|1,0,0]=3 129 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,1,0,0,1,0|0,0,0]=2 130 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,1,0,0,1,0|1,0,0]=3 132 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,1,0,0,1,0|0,0,0]=2 133 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,1,0,0,1,0|1,0,0]=3 136 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,1,0,0,1,0|0,0,0]=2 137 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [0,1,0,0,1,0|1,0,1]=4 139 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.61 CC(=O)c1ccccc1C T36788 [0,1,0,0,1,0|1,0,0]=3 141 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,1,0,0,1,0|1,0,0]=3 142 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,1,0,0,1,0|1,0,0]=3 143 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,1,0,0,1,0|0,0,0]=2 144 B10R1.61 NC(=O)c1ccccc1O T0004 [0,1,0,0,1,0|1,0,0]=3 145 B10R1.61 OC(=O)c1ccccc1I T20881 [0,1,0,0,1,0|0,0,0]=2 146 B10R1.61 OC(=O)c1ccccc1O T0649 [0,1,0,0,1,0|0,0,0]=2 147 B10R1.61 OC(=O)c1ccccc1O T27597 [0,1,0,0,1,0|0,0,0]=2 148 B10R1.61 OC(=O)c1ncccc1O T5986 [0,1,0,0,1,0|1,0,0]=3 149 B10R1.61 OC(=O)c1ncccc1S T12929 [0,1,0,0,1,0|1,0,0]=3 150 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,1,0,0,1,0|0,2,0]=4 151 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,1,0,0,1,0|0,0,1]=3 152 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,1,0,0,1,0|0,0,1]=3 153 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,1,0,0,1,0|1,0,0]=3 155 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,1,0,0,1,0|1,0,1]=4 156 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [0,1,0,0,1,0|1,0,0]=3 158 B10R1.113 C[n+]1cccc(c1)C([O-])=O T2887 [0,1,0,0,1,0|1,0,1]=4 159 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,1,0,0,1,0|1,0,0]=3 160 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,1,0,0,1,0|1,0,0]=3 161 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,1,0|2,0,0]=4 162 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,1,0,0,1,0|1,0,0]=3 164 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.113 NC1CC(=CC=C1)C(O)=O T24080 [0,1,0,0,1,0|0,0,2]=4 166 B10R1.113 OC(=O)c1ccc[n+]([O-])c1 T0067 [0,1,0,0,1,0|1,0,0]=3 167 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,1,0,0,1,0|0,0,0]=2 168 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,1,0,0,1,0|0,0,1]=3 169 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,1,0,0,1,0|0,0,1]=3 170 B10R1.113 [O-][N+](=O)c1cccc(F)c1 T21175 [0,1,0,0,1,0|1,0,1]=4 171 B10R1.23 N[C@H](C(O)=O)c1ccsc1 T38311 [0,1,0,0,1,0|1,0,0]=3 172 B10R1.54 Nc1nc(CC(O)=O)cs1 T7935 [0,1,0,0,1,0|2,0,0]=4 173 B10R1.54 OC(=O)Cc1nc(Cl)cs1 T4402 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.64 Cn1cncc1CC(O)=O T13819 [0,1,0,0,1,0|2,0,0]=4 175 B10R1.64 Cn1cncc1CC(O)=O T13820 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,1,0,0,0,1|1,0,0]=3 180 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,1,0,0,0,1|0,0,1]=3 181 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,1,0,0,0,1|1,0,1]=4 183 B12R1.21 NC(=N)SCc1ccc(Cl)cc1 T24494 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,1,0,0,0,1|1,0,1]=4 185 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,1,0,0,0,1|0,0,1]=3 186 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,1,0,0,0,1|0,0,1]=3 187 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,1,0,0,0,1|0,0,1]=3 188 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,1,0,0,0,1|0,0,1]=3 189 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,1|0,0,0]=2 190 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,1,0,0,0,1|0,0,0]=2 191 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,1,0,0,0,1|1,0,1]=4 192 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [0,1,0,0,0,1|0,0,1]=3 194 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [0,1,0,0,0,1|0,0,1]=3 195 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,1,0,0,0,1|0,0,0]=2 196 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,0,1|0,0,0]=2 197 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,0,1|0,0,0]=2 198 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,1|0,0,0]=2 199 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,0,0,0,1|0,0,1]=3 200 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,0,1|0,0,0]=2 201 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,0,1|0,0,0]=2 202 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,0,1|0,0,0]=2 203 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,1|0,0,1]=3 205 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,0,1|0,0,0]=2 206 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,1|1,0,0]=3 207 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,1,0,0,0,1|0,0,0]=2 208 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,1,0,0,0,1|0,0,1]=3 209 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,1,0,0,0,1|0,0,1]=3 210 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,1,0,0,0,1|0,0,0]=2 211 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,1,0,0,0,1|1,0,1]=4 212 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [0,1,0,0,0,1|0,0,0]=2 213 B12R1.226 NC(=N)NCc1cccc([123I])c1 T32166 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.226 NC(N)=NCc1cccc(I)c1 T15588L [0,1,0,0,0,1|2,0,0]=4 215 B12R1.226 NC(NCC1=CC=CC(I)=C1)=N T15588 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [0,1,0,0,0,1|0,0,1]=3 217 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,0,0,0,1|0,0,1]=3 218 B12R1.226 OC(=O)/C=C/c1cccc(F)c1 T21182 [0,1,0,0,0,1|0,0,1]=3 219 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,1,0,0,0,1|0,0,0]=2 220 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [0,2,0,0,0,0|0,0,0]=2 227 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,2,0,0,0,0|0,0,0]=2 232 B12R1.106 CC1=CC=C(OS(=O)(O)=O)C=C1 T21977 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,2,0,0,0,0|0,0,0]=2 234 B12R1.225 CC(C(O)=O)c1cccc(O)c1 T29313 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.225 N[C@H](C(O)=O)C1=CC(O)=CC=C1 T23291 [0,2,0,0,0,0|0,0,0]=2 236 B12R1.225 OC(C(O)=O)c1cccc(O)c1 T7634 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.225 OC1=CC([C@@H](C(O)=O)N)=CC=C1 T23259 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.253 CC(C)(C(N)=O)c1ccccc1 T32110 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.478 CCC(C(O)=O)c1ccccc1 T0631 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.50 CCC(=O)Nc1cccc(O)c1 T34153 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.50 CSC(=O)Nc1cccc(O)c1 T30736 [0,2,0,0,0,0|1,1,0]=4 246 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.75 COc1ccccc1OC(C)=O T32015 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.75 CSc1ccccc1NC(C)=O T2031 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.127 OC(=O)Cc1cc(O)ccc1O TCS2070 [0,2,0,0,0,0|0,0,0]=2 250 B12R1.438 CCc1cccc(OC(C)=O)c1 T34011 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.438 COc1cccc(CC(O)=O)c1 Fr13883 [0,2,0,0,0,0|0,0,0]=2 252 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,0,1,1,0,0|1,0,1]=4 253 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|0,0,1]=3 254 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|1,0,1]=4 255 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|1,0,0]=3 256 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|0,0,0]=2 257 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|0,0,1]=3 258 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,1,0,1|1,0,1]=4 259 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,1,0,1,0,0|1,1,0]=4 261 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,1,0,0|1,0,0]=3 263 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,1,0,1,0,0|1,0,0]=3 264 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,0,0,0,2,0|1,0,1]=4 267 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,2,0|2,0,0]=4 268 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [0,0,0,0,2,0|2,0,0]=4 269 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,0,0,0,2,0|1,0,0]=3 270 B8R1.7 OC(=O)c1ccco1 T5544 [0,0,0,0,2,0|1,0,0]=3 271 B8R1.7 OC(=O)c1ccoc1 T5277 [0,0,0,0,2,0|1,0,0]=3 272 B8R1.7 OC(=O)c1cnsc1 T4675 [0,0,0,0,2,0|2,0,0]=4 273 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,0,0,0,0,2|1,0,0]=3 274 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,0,0,0,0,2|0,0,0]=2 275 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,0,0,0,0,2|0,0,1]=3