0 B13R1.718 CC[C@H](O)CNCC1=CC=CC=C1 B16829 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17740 [0,1,0,0,0,0|1,0,0]=2 8 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17741 [0,1,0,0,0,0|1,0,0]=2 9 B14R1.520 COCC(O)CNCC1=CC=CC=C1 B16475 [0,1,0,0,0,0|1,0,2]=4 10 B14R1.520 COC[C@H](O)CNCC1=CC=CC=C1 B16821 [0,1,0,0,0,0|1,0,2]=4 11 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 O8685 [0,1,0,0,0,0|0,0,1]=2 12 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|1,0,0]=2 13 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|1,0,0]=2 14 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|1,0,0]=2 15 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|1,0,0]=2 16 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,0,0,1,0,0|1,1,0]=3 17 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,0,0,1,0,0|1,2,0]=4 18 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,0,0,1,0,0|1,1,0]=3 19 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,0,0,1,0,0|1,2,0]=4 20 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 T8097 [0,0,0,1,0,0|1,0,0]=2 21 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 T8096 [0,0,0,1,0,0|1,0,0]=2 22 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,0,0,1,0|1,0,0]=2 23 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,0,0,0,1,0|2,1,0]=4 24 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,0,0,0,1,0|3,0,0]=4 25 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [2,0,0,0,0,0|1,0,1]=4 28 B13R1.28 BrCCCCCCC1=CC=CC=C1 B10690 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 D6107 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 D6107 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 A14489 [1,1,0,0,0,0|0,0,0]=2 32 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [1,1,0,0,0,0|0,0,1]=3 33 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=N1 O8168 [1,1,0,0,0,0|1,0,1]=4 34 B13R1.158 NC1=CC=CC=C1CCCC(=O)O A14450 [1,1,0,0,0,0|0,0,0]=2 35 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [1,1,0,0,0,0|0,0,0]=2 37 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O P4972 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.351 N[C@@H](\C=C\C1=CC=CC=C1)C(=O)O A12821 [1,1,0,0,0,0|0,0,2]=4 41 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [1,1,0,0,0,0|0,0,0]=2 42 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O A8905 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [1,1,0,0,0,0|0,0,0]=2 44 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [1,1,0,0,0,0|0,0,0]=2 45 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [0,1,0,0,1,0|0,0,0]=2 46 B13R1.11 COC(=O)CC(N)C1=NC=CC=C1 A15332 [0,1,0,0,1,0|1,0,0]=3 47 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 A17903 [0,1,0,0,1,0|1,0,0]=3 48 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 M1931 [0,1,0,0,1,0|1,0,0]=3 49 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [0,1,0,0,1,0|0,0,0]=2 50 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,1,0,0,1,0|0,0,2]=4 51 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,1,0,0,1,0|0,0,2]=4 52 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [0,1,0,0,1,0|0,0,0]=2 53 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,1,0,0,1,0|1,0,0]=3 54 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,1,0|0,0,0]=2 55 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,1,0|0,0,0]=2 56 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [0,1,0,0,1,0|0,0,0]=2 57 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1N M19131 [0,1,0,0,1,0|0,0,2]=4 58 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 B9336 [0,1,0,0,0,1|0,0,0]=2 59 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 B14720 [0,1,0,0,0,1|0,0,0]=2 60 B15R1.89 CCOC(=O)CCC(=O)C1=CC=NC=C1 O15893 [0,2,0,0,0,0|1,0,1]=4 61 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 E9275 [0,2,0,0,0,0|0,0,1]=3 62 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 H7010 [0,2,0,0,0,0|0,0,0]=2 63 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 H7010 [0,2,0,0,0,0|0,0,0]=2 64 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 E7192 [0,2,0,0,0,0|0,0,0]=2 65 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E4092 [0,2,0,0,0,0|0,0,0]=2 66 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C17751 [1,0,0,1,0,0|1,0,1]=4 67 B13R2.3 C1=CC=C(C2COCCN2)C=C1 P17130 [1,0,0,1,0,0|1,0,1]=4 68 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B16950 [1,0,0,1,0,0|2,0,0]=4 69 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4 70 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B4758 [1,0,0,1,0,0|1,0,1]=4 72 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.163 O=C1CCSC2=CC=CC=C2N1 D17032 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [0,0,0,1,1,0|1,0,0]=3 79 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B2316 [0,0,0,1,0,1|1,0,0]=3 80 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B3115 [0,0,0,1,0,1|1,0,0]=3 81 B15R2.548 O=C1CCN(C2=CC=CC=C2)CCN1 P15819 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.4083 O=C1CCC(CC2=CC=CC=C2)=C1O B16092 [0,0,0,1,0,1|2,0,0]=4 83 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A3075 [0,1,0,1,0,0|1,0,0]=3 84 B15R2.23388 COC(=O)C1CC(=O)C2=CC=CC=C21 M17652 [0,1,0,1,0,0|0,0,1]=3 85 B15R2.23388 COC(=O)[C@@H]1C[C@H](N)C2=CC=CC=C21 M14078 [0,1,0,1,0,0|0,0,0]=2 86 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B10794 [0,1,0,1,0,0|2,0,0]=4 87 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B3030 [0,1,0,1,0,0|2,0,0]=4 88 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 B16977 [0,1,0,1,0,0|2,0,0]=4 89 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 B8643 [0,1,0,1,0,0|1,0,1]=4 90 B15R2.325 O=C1N[C@H](CC2=CC=CC=C2)C(=O)O1 B8644 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,0,0,0,1,0|1,0,1]=4 92 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,0,0,1,0|0,0,0]=2 93 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [1,0,0,0,1,0|1,0,0]=3 94 B11R1.91 O=C(O)CCC1=NC=CC=N1 P14965 [1,0,0,0,1,0|2,0,0]=4 95 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [1,0,0,0,1,0|1,0,0]=3 96 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [1,0,0,0,1,0|1,0,0]=3 97 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [1,0,0,0,1,0|2,0,0]=4