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|2,0,0]=3 3 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17740 [0,1,0,0,0,0|2,0,0]=3 7 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 B17741 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 O8685 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|2,0,0]=3 10 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,0,0,1,0,0|2,0,0]=3 11 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|2,0,0]=3 12 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,0,0,1,0,0|2,0,0]=3 13 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,0,0,1,0,0|2,1,0]=4 14 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,0,0,1,0,0|2,1,0]=4 15 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,0,0,1,0,0|2,1,0]=4 16 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,0,0,1,0,0|2,1,0]=4 17 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 T8097 [0,0,0,1,0,0|1,0,0]=2 18 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 T8096 [0,0,0,1,0,0|1,0,0]=2 19 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,0,0,1,0|0,0,0]=1 20 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,0,0,0,1,0|2,1,0]=4 21 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,0,0,0,1,0|1,0,0]=2 22 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [2,0,0,0,0,0|1,0,1]=4 24 B13R1.28 BrCCCCCCC1=CC=CC=C1 B10690 [1,1,0,0,0,0|1,0,1]=4 25 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P11245 [1,1,0,0,0,0|1,0,1]=4 26 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 A14489 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.158 NC1=CC=CC=C1CCCC(=O)O A14450 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [0,1,0,0,1,0|1,0,0]=3 37 B13R1.11 COC(=O)CC(N)C1=NC=CC=C1 A15332 [0,1,0,0,1,0|2,0,0]=4 38 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 A17903 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 M1931 [0,1,0,0,1,0|2,0,0]=4 40 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [0,1,0,0,1,0|1,0,0]=3 41 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [0,1,0,0,1,0|1,0,0]=3 42 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,1,0,0,1,0|1,0,0]=3 43 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,1,0|1,0,0]=3 44 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [0,1,0,0,1,0|1,0,0]=3 46 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 B9336 [0,1,0,0,0,1|1,0,0]=3 47 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 B14720 [0,1,0,0,0,1|2,0,0]=4 48 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 E9275 [0,2,0,0,0,0|1,0,0]=3 49 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 H7010 [0,2,0,0,0,0|1,0,0]=3 50 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 H7010 [0,2,0,0,0,0|1,0,0]=3 51 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 E7192 [0,2,0,0,0,0|1,0,0]=3 52 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E4092 [0,2,0,0,0,0|1,0,0]=3 53 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C17751 [1,0,0,1,0,0|1,0,1]=4 54 B13R2.3 C1=CC=C(C2COCCN2)C=C1 P17130 [1,0,0,1,0,0|1,0,1]=4 55 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [1,0,0,1,0,0|1,0,1]=4 56 B13R2.1613 NCC1=CCCC2=C1C=CC=C2 D15660 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [1,0,0,1,0,0|1,0,0]=3 58 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|1,0,0]=3 59 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|1,0,0]=3 60 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [1,0,0,1,0,0|1,1,0]=4 61 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [1,0,0,1,0,0|1,1,0]=4 62 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [1,0,0,1,0,0|2,0,0]=4 63 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [0,0,0,1,1,0|1,0,0]=3 64 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B2316 [0,0,0,1,0,1|1,0,0]=3 65 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B3115 [0,0,0,1,0,1|1,0,0]=3 66 B15R2.548 O=C1CCN(C2=CC=CC=C2)CCN1 P15819 [0,0,0,1,0,1|1,0,0]=3 67 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A3075 [0,1,0,1,0,0|2,0,0]=4 68 B15R2.23388 COC(=O)[C@@H]1C[C@H](N)C2=CC=CC=C21 M14078 [0,1,0,1,0,0|2,0,0]=4 69 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B10794 [0,1,0,1,0,0|2,0,0]=4 70 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B3030 [0,1,0,1,0,0|2,0,0]=4 71 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 B16977 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,0,0,0,1,0|1,0,1]=4 73 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,0,0,1,0|1,0,0]=3 74 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [1,0,0,0,1,0|2,0,0]=4 75 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [1,0,0,0,1,0|2,0,0]=4 76 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,0,0,0,2,0|2,0,0]=4