0 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.21 NC(=N)SCc1ccc(Cl)cc1 T24494 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.21 NC(=O)/C=C/c1ccc(O)cc1 TN3042 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,0,0,0,0|0,0,2]=3 22 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,0|0,0,0]=1 23 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.3 COc1ccc(/C=C/C(C)=O)cc1 T34091 [0,1,0,0,0,0|0,0,2]=3 35 B13R1.3 COc1ccc(/C=C/C(O)=O)cc1 T5875 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.14 COC(=O)/C=C/c1ccc(O)cc1 T3733 [0,1,0,0,0,0|1,0,2]=4 38 B13R1.14 COC(C=Cc1ccc(O)cc1)=O T2819 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.133 OC(Cc1ccc(O)cc1)C(O)=O TQ0284 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.133 O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.164 Cc1cc(Cl)ccc1OCC(O)=O T20701 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.164 Cc1cc(Cl)ccc1OCC([O-])=O T33228 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.164 OC(=O)CCc1ccc(O)cc1O T3737 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.164 OC(=O)COc1ccc(Cl)cc1Cl T20945 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.164 [O-]C(=O)COc1ccc(Cl)cc1Cl T29779 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.511 CC(=O)/C=C/c1ccc(O)c(O)c1 T5728 [0,1,0,0,0,0|1,0,2]=4 54 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.511 OC(=O)CCc1ccc(O)c(O)c1 T0539 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O TN7064 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,0,0,1,0,0|1,0,2]=4 58 B13R2.155 OC1=Nc2cc(O)ccc2CC1 T5887 [0,0,0,1,0,0|2,0,1]=4 59 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,0,0,0,1,0|1,0,0]=2 60 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,1,0|2,0,0]=3 61 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,1,0|2,0,0]=3 62 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,0,0,0,1,0|3,0,0]=4 63 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,1,0|2,0,0]=3 64 B13R1.513 CC(=O)NCCc1ccc(O)cc1 T37341 [0,0,0,0,0,1|1,0,0]=2 65 B13R1.513 CC(C)CCOc1ccc(N)cc1 T27061 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.1 NCCc1ccc(O)cc1 T7851 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.1 OCCc1ccc(O)cc1 T2861 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.1 c1cc(ccc1CCN)O T3095 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 77 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 78 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,0]=2 79 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,2]=4 80 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.69 CCCCc1ccc(C)cc1O T33233 [1,1,0,0,0,0|0,0,1]=3 84 B12R1.69 CCCCc1ccc(O)cc1O T7125 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [1,1,0,0,0,0|0,0,2]=4 88 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.27 COC(=O)CCc1ccccc1 T9513 [1,1,0,0,0,0|0,0,0]=2 90 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [1,1,0,0,0,0|0,0,1]=3 101 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.125 OC(=O)CCc1ccccc1O T4892 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [1,1,0,0,0,0|0,0,2]=4 105 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,1,0,0,1,0|1,0,0]=3 112 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,1,0,0,1,0|1,0,1]=4 113 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,1,0,0,1,0|1,0,1]=4 114 B12R1.19 OC(=O)Cc1ccc(O)c(Cl)c1 T21277 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,1,0,0,1,0|2,0,0]=4 117 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,1,0,0,1,0|2,0,0]=4 118 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,1,0,0,1,0|2,0,0]=4 119 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,1,0,0,1,0|2,0,0]=4 120 B14R1.679 N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506 [0,1,0,0,0,1|2,0,0]=4 121 B14R1.687 CC(=O)OCCc1ccc(O)c(O)c1 T8168 [0,1,0,0,0,1|1,0,0]=3 122 B14R1.698 CC(=O)CC(=O)Nc1ccc(Cl)cc1 T20484 [0,1,0,0,0,1|1,0,1]=4 123 B14R1.3 COc1ccc(OC(C)C([O-])=O)cc1 T35795 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.3 N[C@@H](Cc1ccc(cc1)C#C)C(O)=O T10142 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.5 CCC(N)CCc1ccc(OC)cc1 T31559 [0,2,0,0,0,0|1,0,1]=4 126 B14R1.5 COC(=O)CCc1ccc(OC)cc1 TN4528 [0,2,0,0,0,0|0,0,0]=2 127 B14R1.419 CC(=O)c1ccc(OCC(O)=O)cc1 T20438 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.134 COC(=O)C(Cl)Cc1ccc(Cl)cc1 T30893 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.134 COC(=O)C(O)Cc1ccc(O)cc1 TN4552 [0,2,0,0,0,0|1,0,0]=3 130 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(Cl)cc1 T41143 [0,2,0,0,0,0|1,0,0]=3 131 B14R1.529 NC/C(CCc1ccc(F)cc1)=C/F T12088 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.727 COC(=O)CCc1ccc(O)cc1O TN4527 [0,2,0,0,0,0|1,0,0]=3 133 B14R1.727 COC(=O)COc1ccc(Cl)cc1Cl T20394 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.132 OC(C(O)c1ccc(O)cc1)C(O)=O TN2702 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.1019 NCC(CC(O)=O)c1ccc(Cl)cc1 T1065 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.1019 NC[C@@H](CC(O)=O)c1ccc(Cl)cc1 T20962 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.1019 NC[C@@H](CC(O)=O)c1ccc(F)cc1 T30810 [0,2,0,0,0,0|2,0,0]=4 138 B14R1.1019 NC[C@H](CC(O)=O)c1ccc(Cl)cc1 T17306 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.1019 NC[C@H](CC(O)=O)c1ccc(Cl)cc1 T6355 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.1019 [C@@H](CN)(CC(O)=O)c1ccc(Cl)cc1 T8630 [0,2,0,0,0,0|2,0,0]=4 141 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O T15138 [0,2,0,0,0,0|2,0,0]=4 142 B14R1.686 NC(Cc1ccc(O)c(O)c1)C([O-])=O T32701 [0,2,0,0,0,0|2,0,0]=4 143 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T5280 [0,2,0,0,0,0|2,0,0]=4 144 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O T5568 [0,2,0,0,0,0|2,0,0]=4 145 B14R1.686 N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O T31423 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O T0848 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.686 OC(Cc1ccc(O)c(O)c1)C([O-])=O T2944 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.686 O[C@H](Cc1ccc(O)c(O)c1)C(O)=O T3227 [0,2,0,0,0,0|2,0,0]=4 149 B14R1.7626 C[C@](C(O)=O)(N)CC1=CC=C(O)C=C1 T22368 [0,2,0,0,0,0|2,0,0]=4 150 B14R1.7626 N[C@](CC1=CC=C(O)C=C1)(C)C(O)=O T20700 [0,2,0,0,0,0|2,0,0]=4 151 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [0,2,0,0,0,0|1,0,0]=3 152 B14R1.42 COc1cc(CCC(O)=O)ccc1O T0558 [0,2,0,0,0,0|2,0,0]=4 153 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,0,0,1,1,0|2,0,0]=4 154 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,1,0|2,0,0]=4 155 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|1,0,0]=3 156 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,1,0|1,1,0]=4 157 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,1,0|1,0,1]=4 158 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,1,0|1,0,1]=4 159 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,1,0|2,0,0]=4 160 B10R1.66 CC(=O)OCc1ccco1 T8088 [1,0,0,0,1,0|2,0,0]=4 161 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [1,0,0,0,1,0|2,0,0]=4 162 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,2,0|0,0,0]=2 163 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,2,0|1,0,0]=3 164 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,2,0|1,0,0]=3 165 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,2,0|2,0,0]=4 166 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,2,0|2,0,0]=4 167 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,2,0|2,0,0]=4 168 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [1,0,0,0,0,1|0,0,0]=2 169 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [1,0,0,0,0,1|1,0,0]=3 170 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [1,0,0,0,0,1|1,0,0]=3