0 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 E7874 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 E13942 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 E52593 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 E55507 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 E54240 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 E54794 [0,0,0,0,0,0|0,0,2]=2 7 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 M51823 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 M51824 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 M52253 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [1,0,0,0,0,0|1,0,1]=3 14 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [1,0,0,0,0,0|0,0,2]=3 15 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.42 CCOC(=O)COC1=CN=CC=C1 E50088 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [1,0,0,0,0,0|0,0,1]=2 18 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)C=C1 E54462 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C)C=C1 E55929 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Cl)C=C1 E68007 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 E65968 [0,1,0,0,0,0|0,0,0]=1 22 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(I)C=C1 E54470 [0,1,0,0,0,0|0,0,0]=1 23 B15R1.24 CCOC(=O)CC(=O)C1=CC(C)=CC=C1 E55928 [0,1,0,0,0,0|0,0,0]=1 24 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(Br)=C1 E54461 [0,1,0,0,0,0|0,0,0]=1 25 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(Cl)=C1 E63526 [0,1,0,0,0,0|0,0,0]=1 26 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(F)=C1 E54466 [0,1,0,0,0,0|0,0,0]=1 27 B15R1.578 CCOC(=O)[C@@H](C)C(=O)C1=CC=CC=C1 E37287 [0,1,0,0,0,0|0,0,0]=1 28 B15R1.3722 CCOC(=O)CC(=O)C1=C(C)C=CC=C1 E36748 [0,1,0,0,0,0|0,0,0]=1 29 B15R1.3722 CCOC(=O)CC(=O)C1=C(Cl)C=CC=C1 E38038 [0,1,0,0,0,0|0,0,0]=1 30 B15R1.3722 CCOC(=O)CC(=O)C1=C(F)C=CC=C1 E54467 [0,1,0,0,0,0|0,0,0]=1 31 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 E30019 [0,0,0,1,0,0|1,0,1]=3 32 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 E50098 [0,0,0,0,1,0|1,0,0]=2 33 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 E12821 [0,0,0,0,1,0|1,0,0]=2 34 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 E49940 [0,0,0,0,1,0|1,0,0]=2 35 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 E15017 [0,0,0,0,1,0|1,0,0]=2 36 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 E63316 [0,0,0,0,1,0|1,0,1]=3 37 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 E8869 [0,0,0,0,1,0|1,0,1]=3 38 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E15413 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E61729 [0,0,0,0,1,0|2,0,1]=4 40 B15R1.89 CCOC(=O)C=CC(=O)C1=CC=CC=C1 E55766 [0,0,0,0,0,1|0,0,1]=2 41 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E55926 [0,0,0,0,0,1|0,0,0]=1 42 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [2,0,0,0,0,0|0,0,1]=3 44 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [2,0,0,0,0,0|0,0,0]=2 51 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [2,0,0,0,0,0|0,0,2]=4 59 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [2,0,0,0,0,0|0,0,1]=3 60 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 M62349 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 M54026 [1,1,0,0,0,0|0,0,0]=2 62 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 M52758 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.11 COC(=O)CC(=O)C1=CC(C)=CC=C1 M54574 [1,1,0,0,0,0|0,0,0]=2 64 B14R1.11 COC(=O)C[C@@H](N)C1=CC(O)=CC=C1 M54173 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.11 COC(=O)C[C@@H](N)C1=CC=CC(Br)=C1 M52757 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 M11943 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 M11942 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.587 CC1=C(C(=O)NC(=O)CCl)C=CC=C1 C66015 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.587 COC(=O)CC(=O)C1=C(Br)C=CC=C1 M54019 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 T57110 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C56016 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 E66327 [1,1,0,0,0,0|0,0,1]=3 73 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 E52756 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [1,1,0,0,0,0|0,0,1]=3 75 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [1,1,0,0,0,0|0,0,2]=4 76 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 E55405 [1,1,0,0,0,0|0,0,2]=4 77 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [1,1,0,0,0,0|0,0,1]=3 79 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [1,1,0,0,0,0|0,0,1]=3 80 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [1,1,0,0,0,0|0,0,1]=3 81 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [1,1,0,0,0,0|0,0,1]=3 83 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [1,1,0,0,0,0|0,0,1]=3 84 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 E54669 [1,1,0,0,0,0|0,0,1]=3 85 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 E52853 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 E22198 [0,1,0,0,1,0|0,0,0]=2 87 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 E54571 [0,1,0,0,1,0|0,0,0]=2 88 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 E54025 [0,1,0,0,1,0|0,0,0]=2 89 B14R1.35 CCOC(=O)C(=O)C1=CC=C(O)C=C1 E52483 [0,1,0,0,1,0|0,0,0]=2 90 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 E52444 [0,1,0,0,1,0|1,0,1]=4 91 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(F)C=C1 E38893 [0,1,0,0,1,0|1,0,1]=4 92 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 E56083 [0,1,0,0,1,0|1,0,1]=4 93 B14R1.604 CCOC(=O)[C@H](C#N)C1=CC=CC=C1 E54414 [0,1,0,0,1,0|1,0,1]=4 94 B14R1.3348 CCOC(=O)C(=O)C1=C(Cl)C=CC=C1 E24590 [0,1,0,0,1,0|0,0,0]=2 95 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 E54029 [0,1,0,0,1,0|0,0,0]=2 96 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(Br)C=C1 E55846 [0,1,0,0,0,1|0,0,0]=2 97 B16R1.912 CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1 E55774 [0,1,0,0,0,1|0,0,0]=2 98 B16R1.953 CCOC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 E52995 [0,2,0,0,0,0|2,0,0]=4 99 B16R1.4218 CCOC(=O)CC(=O)C1=CC=C(C#N)C=C1 E55680 [0,2,0,0,0,0|0,0,0]=2 100 B16R1.4218 CCOC(=O)CC(=O)C1=CC=C(OC)C=C1 E55939 [0,2,0,0,0,0|0,0,0]=2 101 B16R1.4231 CCOC(=O)CC(=O)C1=CC(Cl)=C(Cl)C=C1 E54358 [0,2,0,0,0,0|0,0,0]=2 102 B16R1.4231 CCOC(=O)CC(=O)C1=CC(F)=C(F)C=C1 E63525 [0,2,0,0,0,0|0,0,0]=2 103 B16R1.24755 CCOC(=O)CC(=O)C1=C(Cl)C=C(Cl)C=C1 E54357 [0,2,0,0,0,0|0,0,0]=2 104 B16R1.24755 CCOC(=O)CC(=O)C1=C(F)C=C(F)C=C1 E63524 [0,2,0,0,0,0|0,0,0]=2 105 B16R1.24755 CCOC(=O)CC(=O)C1=CC=C(Cl)N=C1Cl E66604 [0,2,0,0,0,0|1,0,0]=3 106 B16R1.19 CCOC(=O)CC(=O)C1=CC=CC(Cl)=C1Cl E62762 [0,2,0,0,0,0|0,0,0]=2 107 B16R1.4212 CCOC(=O)CC(=O)C1=C(Cl)C=CC(Cl)=C1 E63527 [0,2,0,0,0,0|0,0,0]=2 108 B16R1.4212 CCOC(=O)CC(=O)C1=C(F)C=CC(F)=C1 E54360 [0,2,0,0,0,0|0,0,0]=2 109 B16R1.4216 CCOC(=O)CC(=O)C1=CC(Cl)=CC(Cl)=C1 E54359 [0,2,0,0,0,0|0,0,0]=2 110 B16R1.4216 CCOC(=O)CC(=O)C1=CC(F)=CC(F)=C1 E63522 [0,2,0,0,0,0|0,0,0]=2 111 B16R1.4226 CCOC(=O)CC(=O)C1=CC(C#N)=CC=C1 E61481 [0,2,0,0,0,0|0,0,0]=2 112 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(Br)C=CC=C1 M55417 [0,2,0,0,0,0|2,0,0]=4 113 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C)C=CC=C1 M55775 [0,2,0,0,0,0|2,0,0]=4 114 B16R1.104268 CCOC(=O)CC(=O)C1=C(Cl)C=CC=C1Cl E63523 [0,2,0,0,0,0|0,0,0]=2 115 B16R1.104268 CCOC(=O)CC(=O)C1=C(F)C=CC=C1F E54361 [0,2,0,0,0,0|0,0,0]=2 116 B14R2.260 CN1N=C(C2=CC=CC=C2)CC1=O M62995 [1,0,0,1,0,0|2,0,0]=4 117 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 M51388 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 C55913 [1,0,0,1,0,0|1,0,1]=4 119 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 P55460 [1,0,0,1,0,0|1,0,1]=4 120 B16R2.734 CCOC(=O)CC1=CC2=C(C=CC=C2)N1 E55810 [0,0,0,1,0,1|1,0,0]=3 121 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)O1 E54434 [0,0,0,1,0,1|0,0,1]=3 122 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)S1 E54427 [0,0,0,1,0,1|0,1,0]=3 123 B16R2.29842 CCOC(=O)C1=C(C)NC2=C1C=CC=C2 E55813 [0,0,0,1,0,1|1,0,1]=4 124 B16R2.29842 CCOC(=O)C1=C(N)NC2=C1C=CC=C2 E24702 [0,0,0,1,0,1|1,0,1]=4 125 B16R2.29842 CCOC(=O)C1=C(N)NC2=C1C=CC=C2 E5318 [0,0,0,1,0,1|1,0,1]=4 126 B16R2.29842 CCOC(=O)C1=C(N)SC2=C1C=CC=C2 E7794 [0,0,0,1,0,1|1,0,1]=4 127 B16R2.757 CCOC(=O)C1=C(Br)C2=C(C=CC=C2)N1 E54318 [0,1,0,1,0,0|1,0,1]=4 128 B16R2.757 CCOC(=O)C1=C(C)C2=C(C=CC=C2)N1 E55814 [0,1,0,1,0,0|1,0,1]=4 129 B16R2.757 CCOC(=O)C1=C(N)C2=C(C=CC=C2)N1 E5538 [0,1,0,1,0,0|1,0,1]=4 130 B16R2.757 CCOC(=O)C1=C(N)C2=C(C=CC=C2)S1 E54428 [0,1,0,1,0,0|1,0,1]=4 131 B16R2.757 CCOC(=O)C1=C(O)C2=C(C=CC=C2)S1 E67357 [0,1,0,1,0,0|0,0,2]=4 132 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=C2)C1=O E54365 [0,1,0,1,0,0|0,0,0]=2 133 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=N2)C1=O E53979 [0,1,0,1,0,0|1,0,0]=3 134 B16R2.5 CCOC(=O)CC1=CN=C2C=CC=CN12 E13946 [0,1,0,1,0,0|2,0,0]=4 135 B16R2.5 CCOC(=O)CC1=CNC2=C1C=CC=C2 E68793 [0,1,0,1,0,0|1,0,0]=3 136 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 M49114 [1,0,0,0,1,0|1,0,0]=3 137 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [1,0,0,0,1,0|0,0,0]=2 138 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [1,0,0,0,1,0|1,0,1]=4 139 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [1,0,0,0,1,0|0,0,2]=4 140 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [1,0,0,0,1,0|1,0,1]=4 141 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [1,0,0,0,1,0|1,0,1]=4 142 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [1,0,0,0,1,0|1,0,1]=4 143 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [1,0,0,0,1,0|0,0,2]=4 144 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [1,0,0,0,1,0|2,0,0]=4 145 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [1,0,0,0,1,0|1,0,0]=3 146 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [1,0,0,0,1,0|1,0,0]=3 147 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [1,0,0,0,1,0|1,0,0]=3 148 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [1,0,0,0,1,0|1,0,0]=3 149 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [1,0,0,0,1,0|2,0,0]=4 150 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [1,0,0,0,1,0|2,0,0]=4 151 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [1,0,0,0,1,0|1,0,0]=3 152 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [1,0,0,0,1,0|2,0,0]=4 153 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 E12820 [0,0,0,0,2,0|1,0,0]=3 154 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [1,0,0,0,0,1|0,0,0]=2 155 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [1,0,0,0,0,1|1,0,1]=4 156 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [1,0,0,0,0,1|0,0,1]=3 157 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [1,0,0,0,0,1|0,0,1]=3 158 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [1,0,0,0,0,1|0,0,1]=3 159 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [1,0,0,0,0,1|0,0,1]=3 160 B16R1.1570 CCOC(=O)CC(=O)NCC1=CC=CC=C1 E55991 [0,0,0,0,0,2|0,0,0]=2