0 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,0,0,0,0,0|0,0,1]=1 3 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.28 OCCOCc1ccccc1 T14013 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.28 OCCSCc1ccncc1 T34331 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,0,0,0,0,0|1,1,1]=4 7 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T4815 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.45 OC(=O)CNC(=O)c1ccccc1 T8365 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.45 OC(=O)CNC(=O)c1cccnc1 T5228 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.45 OC(C1=CC=CC=C1)COC(N)=O T26233 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.513 CC(=O)NCCc1ccc(O)cc1 T37341 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.718 CCC(=O)OCCc1ccccc1 T33975 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.10 OC1=NN(CC1)c2ccccc2 T22398 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.72 OC(=O)c1c[nH]c2ccccc12 T5984 [0,0,0,1,0,0|1,0,2]=4 15 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,1,0|1,0,2]=4 16 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,1,0|1,0,2]=4 17 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,1,0|1,0,0]=2 18 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,1,0|2,0,0]=3 21 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [0,0,0,0,1,0|1,0,2]=4 24 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [0,0,0,0,1,0|1,0,2]=4 25 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,0,0,0,1,0|0,0,2]=3 26 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,1,0|0,0,0]=1 27 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,0,0,0,1,0|0,0,2]=3 28 B13R1.337 CC(=O)OC/C=C/c1ccccc1 T5653 [0,0,0,0,0,1|1,0,2]=4 29 B13R1.337 CC(=O)OC/C=C/c1ccccc1 TN3659 [0,0,0,0,0,1|1,0,2]=4 30 B13R1.337 CC(C)CCOCc1ccccc1 T20292 [0,0,0,0,0,1|2,0,1]=4 31 B13R1.337 OC(=O)/C=C/C=C/c1ccccc1 T3006 [0,0,0,0,0,1|0,0,3]=4 32 B13R1.337 OC(=O)CCCCc1ccccc1 T7458 [0,0,0,0,0,1|0,0,0]=1 33 B13R1.337 OC(=O)CCSSc1ccccn1 T14023 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 38 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 39 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|0,0,2]=4 41 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|0,0,2]=4 42 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.8 CCCCCOc1ccccc1 T25936 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [1,1,0,0,0,0|0,1,1]=4 46 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,1,0,0,1,0|0,0,2]=4 53 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,1,0,0,1,0|1,0,1]=4 54 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,1,0,0,1,0|1,0,1]=4 55 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [0,1,0,0,1,0|0,0,2]=4 56 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [0,1,0,0,1,0|0,0,2]=4 57 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [0,1,0,0,1,0|0,0,2]=4 58 B12R1.21 OC(=O)C=Cc1ccc(Cl)cc1 TN6604 [0,1,0,0,1,0|0,0,2]=4 59 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,1,0,0,1,0|0,0,0]=2 60 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,1,0,0,1,0|1,0,1]=4 62 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,1,0|0,0,0]=2 64 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,1,0|0,0,1]=3 65 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,0,0,1,0|1,0,1]=4 66 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,1,0|0,0,0]=2 67 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,1,0|0,0,0]=2 68 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,1,0|0,0,0]=2 69 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,1,0|0,0,0]=2 70 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,0,0,1,0|0,0,2]=4 71 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,1,0|0,0,0]=2 72 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,1,0|1,0,1]=4 73 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,1,0,0,1,0|0,0,0]=2 74 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,1,0,0,1,0|0,0,2]=4 75 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,1,0,0,1,0|0,0,2]=4 76 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,1,0,0,1,0|0,0,0]=2 77 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,1,0,0,1,0|1,0,1]=4 78 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [0,1,0,0,1,0|1,0,0]=3 79 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [0,1,0,0,1,0|0,0,2]=4 80 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,0,0,1,0|0,0,2]=4 81 B12R1.226 OC(=O)/C=C/c1cccc(F)c1 T21182 [0,1,0,0,1,0|0,0,2]=4 82 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,1,0,0,1,0|0,0,0]=2 83 B14R1.148 CC(=O)OCCOc1cccc(O)c1 T33982 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.420 OC(=O)CCNC(=O)c1ccccc1 T1430 [0,1,0,0,0,1|0,0,1]=3 85 B14R1.423 OC(=O)CNC(=O)Cc1ccccc1 T5217 [0,1,0,0,0,1|0,0,1]=3 86 B14R1.149 OC(=O)CNC(=O)c1cccc(I)c1 T31956 [0,2,0,0,0,0|1,0,1]=4 87 B14R1.149 OC(=O)CNC(=O)c1cccc(O)c1 T14031 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.160 Cc1ccccc1C(=O)NCC(O)=O T5226 [0,2,0,0,0,0|1,0,1]=4 89 B14R1.160 NC(=O)OC[C@@H](O)c1ccccc1Cl T30748 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.160 OC(=O)CNC(=O)c1ccccc1I T50000 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.160 OC(=O)CNC(=O)c1ccccc1O T5221 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.160 O[C@H](C1=CC=CC=C1Cl)COC(N)=O T5517 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.540 NC(=O)OCC(CO)c1ccccc1 T34571 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.678 Nc1ccc(cc1)C(=O)NCC(O)=O T1436 [0,2,0,0,0,0|1,0,1]=4 95 B14R1.687 CC(=O)OCCc1ccc(O)c(O)c1 T8168 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.679 NC(CCC1C=CC(N)C=C1)C(O)=O T23724 [0,2,0,0,0,0|0,0,2]=4 97 B14R1.679 N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506 [0,2,0,0,0,0|0,0,0]=2 98 B14R1.520 ClCCC(=O)NCCc1ccccc1 T8604 [0,2,0,0,0,0|2,0,0]=4 99 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [1,0,0,1,0,0|0,0,1]=3 100 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,1,0|1,0,0]=3 101 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,1,0|0,0,0]=2 102 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,1,0|0,0,2]=4 103 B14R2.2 OC(=O)Cc1c[nH]c2ccccc12 T2O2791 [0,0,0,1,0,1|0,0,2]=4 104 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,0,0,1,0,1|1,0,1]=4 105 B14R2.781 OC(=O)[C@H]1Cc2ccccc2CN1 T19616 [0,1,0,1,0,0|1,0,0]=3 106 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 T1202 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,0,0,2,0|1,0,0]=3 110 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,2,0|2,0,0]=4 111 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,0,0,2,0|1,0,0]=3 112 B10R1.66 OC(=O)CCc1c[nH]cn1 T9494 [0,0,0,0,2,0|2,0,0]=4 113 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,0,0,0,2,0|1,0,0]=3 114 B14R1.422 NC(=N)NCCCOc1ccccc1 T24603 [0,0,0,0,0,2|2,0,0]=4 115 B14R1.422 NC(=N)NCCCOc1ccccc1 T32018 [0,0,0,0,0,2|2,0,0]=4