0 B13R2.32 NC1CCC2=C(C=CC=C2)C1O A37316 [1,0,0,0,0,0|2,0,1]=4 1 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 A68849 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.63893 CN1CC2=C(C=CC(N)=C2)N(C)C1=O A22534 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,0,1,0,0,0|1,0,0]=2 8 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,0,1,0,0,0|2,0,0]=3 11 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,0,1,0,0,0|3,0,0]=4 14 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [0,0,0,0,1,0|2,0,1]=4 15 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 D49726 [0,0,0,0,1,0|3,0,0]=4 16 B15R2.15770 CN1C(=O)[C@@H](N)COC2=C1C=CC=C2 A61664 [0,0,0,0,0,1|1,0,0]=2 17 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.371 CC1=C(NC(=S)NN)C=CC=C1 M68967 [1,0,1,0,0,0|1,1,0]=4 19 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [1,0,1,0,0,0|0,0,0]=2 28 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,0,1,0,0,0|0,0,0]=2 29 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,0,1,0,0,0|0,0,0]=2 30 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [1,0,1,0,0,0|1,0,0]=3 31 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [1,0,1,0,0,0|1,0,0]=3 32 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [1,0,1,0,0,0|1,0,0]=3 34 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [1,0,1,0,0,0|1,0,0]=3 35 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [1,0,1,0,0,0|1,0,0]=3 36 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,0,1,0,0,0|1,0,0]=3 39 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,0,1,0,0,0|1,0,0]=3 40 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 A64045 [1,0,1,0,0,0|1,0,0]=3 43 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [2,0,0,0,0,0|0,0,1]=3 47 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [2,0,0,0,0,0|2,0,0]=4 50 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [2,0,0,0,0,0|0,0,0]=2 51 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [2,0,0,0,0,0|1,0,0]=3 52 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [2,0,0,0,0,0|1,0,0]=3 53 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [2,0,0,0,0,0|1,0,1]=4 60 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52981 [0,1,1,0,0,0|2,0,0]=4 61 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,1,1,0,0,0|2,0,0]=4 62 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 M67781 [0,1,1,0,0,0|2,0,0]=4 63 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 M54134 [0,1,1,0,0,0|2,0,0]=4 64 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [0,1,1,0,0,0|2,0,0]=4 65 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [0,1,1,0,0,0|2,0,0]=4 66 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 M32208 [0,1,1,0,0,0|2,0,0]=4 67 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 M55508 [0,1,1,0,0,0|2,0,0]=4 68 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 B15177 [1,1,0,0,0,0|1,0,0]=3 69 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C51698 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.639 CC1(C)NC2=C(C=CC=C2)NC1=O D52691 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.8239 C[C@@H]1OC2=C(C=C(Br)C=C2)NC1=O B63696 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [0,0,1,1,0,0|2,0,0]=4 73 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [1,0,0,0,1,0|2,0,0]=4 74 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [1,0,0,0,1,0|2,0,0]=4