0 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 D95343 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 W10347 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 W18306 [1,0,0,0,0,0|0,0,2]=3 3 B13R1.42 CCOC(=O)C#CC1=CC=NC=C1 31802 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 28444 [1,0,0,0,0,0|0,0,2]=3 5 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 28613 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.42 CCOC(=O)COC1=CC=CC=C1 11858 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.42 CCOC(=O)COC1=CC=NC=C1 D81443 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 D92068 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 AC8020 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 74900 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.42 CCOC(=O)\C=C\C1=CN=CC=C1 W11611 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 W11610 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 AC7842 [1,0,0,0,0,0|1,0,2]=4 14 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 90131 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 90133 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=C1 20715 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.3465 CC(C)(C)OC(=O)NCC1=CN=CC=C1 29344 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.3465 CC(C)(C)OC(=O)NCC1=NC=CC=C1 AR2549 [0,1,0,0,0,0|2,0,1]=4 19 B15R1.3465 CC(C)(C)OC(=O)NNC1=CC=CC=C1 AB2716 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 83295 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 D81887 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 F11949 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 CL4555 [0,0,0,1,0,0|1,0,1]=3 24 B15R2.505 C[C@H]1CN1C(=O)OCC2=CC=CC=C2 68555 [0,0,0,1,0,0|2,0,1]=4 25 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 D71255 [0,0,0,0,1,0|1,0,1]=3 26 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 D91147 [0,0,0,0,1,0|1,0,1]=3 27 B13R1.351 C[C@H](N)C(=O)NCC1=CC=CC=C1 D82265 [0,0,0,0,1,0|2,0,1]=4 28 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 FD21013 [0,0,0,0,1,0|2,0,1]=4 29 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 FD21014 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 FD21015 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 F17734 [0,0,0,0,1,0|2,0,1]=4 32 B15R1.5919 CC(C)COC(=O)\C=C\C1=CC=CC=C1 AC7839 [0,0,0,0,0,1|0,0,0]=1 33 B12R1.27 COC(=O)C#CC1=CC=CC=C1 D70333 [2,0,0,0,0,0|0,0,2]=4 34 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [2,0,0,0,0,0|0,0,2]=4 35 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [2,0,0,0,0,0|0,0,0]=2 37 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 AT14565 [2,0,0,0,0,0|1,0,0]=3 38 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 S12382 [1,1,0,0,0,0|0,0,1]=3 39 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 33005 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 AB9304 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 AB9303 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 N12630 [1,1,0,0,0,0|0,0,2]=4 43 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 29433 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 76553 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.32 CCOC(=O)CCC1=CC(N)=CC=C1 53008 [1,1,0,0,0,0|0,0,2]=4 46 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 W10554 [1,1,0,0,0,0|0,0,2]=4 47 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Br)=C1 AB7157 [1,1,0,0,0,0|0,0,0]=2 48 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 W18674 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.60 CCOC(=O)C(=O)NC1=CN=CC=C1 W18313 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 75095 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 F10840 [1,1,0,0,0,0|0,0,2]=4 52 B14R1.156 C=CCOC(=O)\C=C\C1=CC=CC=C1 C10689 [1,1,0,0,0,0|0,0,1]=3 53 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 83539 [1,1,0,0,0,0|0,0,2]=4 54 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 AB3728 [1,1,0,0,0,0|0,0,2]=4 55 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AB7212 [1,1,0,0,0,0|0,0,2]=4 56 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 30223 [1,1,0,0,0,0|0,0,2]=4 57 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 71210 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 D78583 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 D85786 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 AB7158 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 A12244 [1,1,0,0,0,0|0,0,0]=2 62 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 35676 [1,1,0,0,0,0|0,0,0]=2 63 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 AB7211 [1,1,0,0,0,0|0,0,0]=2 64 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 55083 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 Y10121 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.502 CCOC(=O)\C=C\C1=NC=C(C)C=C1 W11643 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 29956 [1,1,0,0,0,0|0,0,2]=4 68 B14R1.598 CCOC(=O)COC1=C(Br)C=CC=C1 W13466 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 72111 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 W18861 [1,1,0,0,0,0|0,0,0]=2 71 B14R1.433 CC(C)(C)OC(=O)CC1=CC=NC=C1 W11474 [0,1,0,0,1,0|1,0,1]=4 72 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 AB8813 [0,1,0,0,1,0|1,0,0]=3 73 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 35458 [0,1,0,0,1,0|2,0,0]=4 74 B14R1.433 CC(C)(C)OC(=O)NC1=CN=CC=C1 AB6784 [0,1,0,0,1,0|2,0,0]=4 75 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 AB2756 [0,1,0,0,1,0|2,0,0]=4 76 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 I10205 [0,1,0,0,1,0|1,0,0]=3 77 B14R1.5978 CC(C)OC(=O)NC1=CC=CC(Cl)=C1 D97609 [0,1,0,0,1,0|1,0,0]=3 78 B14R1.3099 CC(C)(Br)C(=O)NCC1=CC=CC=C1 D97592 [0,1,0,0,1,0|1,0,1]=4 79 B14R1.3099 CC(C)(Br)C(=O)OCC1=CC=CC=C1 D84462 [0,1,0,0,1,0|1,0,1]=4 80 B16R1.12547 CC(C)(C)OC(=O)CNCC1=CC=CC=C1 72225 [0,1,0,0,0,1|0,0,2]=4 81 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 AB2728 [0,1,0,0,0,1|1,0,1]=4 82 B16R1.12547 CC(C)(C)OC(=O)N\N=C\C1=CC=CC=C1 53433 [0,1,0,0,0,1|1,0,0]=3 83 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(Br)C=CC=C1 AR2300 [0,2,0,0,0,0|1,0,1]=4 84 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(O)C=CC=C1 S11287 [0,2,0,0,0,0|1,0,1]=4 85 B16R1.1065 CC(C)OC(=O)[C@@H](N)CC1=CC=C(O)C=C1 L10147 [0,2,0,0,0,0|0,0,2]=4 86 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1 D81934 [0,2,0,0,0,0|0,0,2]=4 87 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1 D94552 [0,2,0,0,0,0|0,0,2]=4 88 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1 F10653 [0,2,0,0,0,0|0,0,2]=4 89 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1 F10853 [0,2,0,0,0,0|0,0,2]=4 90 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 20814 [0,2,0,0,0,0|1,0,1]=4 91 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 B56846 [0,2,0,0,0,0|1,0,1]=4 92 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 F31259 [0,2,0,0,0,0|1,0,1]=4 93 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(O)C=C1 AB10814 [0,2,0,0,0,0|1,0,1]=4 94 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(N)=CC=C1 AR2567 [0,2,0,0,0,0|1,0,1]=4 95 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC=CC(Br)=C1 A10031 [0,2,0,0,0,0|1,0,1]=4 96 B14R2.30 O=C1OCC\C1=C/C2=CC=CC=C2 D83493 [1,0,0,1,0,0|0,0,0]=2 97 B14R2.203 CC[N+]1=C(C)C=CC2=CC=CC=C21 D90450 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 C10691 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.31359 CN(C)C1=CC=CC2=CC=CC=C21 D89713 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 64578 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 67748 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 A10705 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.31359 C[C@H](N)C1=CC=CC2=CC=CC=C21 N12093 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 64571 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 64572 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.260 CN1NC(C2=CC=CC=C2)=CC1=O F51897 [0,0,0,1,1,0|2,0,0]=4 107 B14R2.260 C[C@@H]1N=C(C2=CC=CC=C2)OC1=O M59390 [0,0,0,1,1,0|2,0,0]=4 108 B14R2.260 C[C@H]1CN(C2=CC=CC=C2)NC1=O O11260 [0,0,0,1,1,0|2,0,0]=4 109 B14R2.781 CC(C)C1=CC=C2C=NC=CC2=C1 D75703 [0,0,0,1,1,0|2,0,0]=4 110 B14R2.781 CC(C)C1=CC=C2N=CC=CC2=C1 D91177 [0,0,0,1,1,0|2,0,0]=4 111 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 78625 [0,0,0,1,1,0|2,0,0]=4 112 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 I11133 [0,0,0,1,1,0|2,0,0]=4 113 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 I11134 [0,0,0,1,1,0|2,0,0]=4 114 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 Y10772 [0,0,0,1,1,0|2,0,0]=4 115 B16R2.477 CC(C)COC1=CC2=CC=CC=C2C=C1 D97688 [0,0,0,1,0,1|1,0,0]=3 116 B16R2.2888 CC(C)[C@@H]1N=C(C2=CC=CC=C2)OC1=O I59261 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.32 CCCC(=O)CC1=CC=CC=C1 F19922 [1,0,0,0,1,0|1,0,1]=4 118 B12R1.32 CCNC(=O)OC1=CC=CC=C1 D92920 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.32 CCOC(=O)CC1=CC=CC=C1 D77783 [1,0,0,0,1,0|0,0,1]=3 120 B12R1.32 CCOC(=O)CC1=CC=NC=C1 W12171 [1,0,0,0,1,0|1,0,1]=4 121 B12R1.32 CCOC(=O)CC1=CN=CC=C1 TD8046 [1,0,0,0,1,0|1,0,1]=4 122 B12R1.32 CCOC(=O)CC1=NC=CC=C1 28493 [1,0,0,0,1,0|1,0,1]=4 123 B12R1.51 CCOC(=O)\C=C\C1=CSC=N1 W11644 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 D91164 [0,0,0,0,2,0|1,0,0]=3 125 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 D83494 [0,0,0,0,2,0|2,0,0]=4 126 B12R1.43 C[C@H](Br)C(=O)NC1=CC=CC=C1 F50752 [0,0,0,0,2,0|2,0,0]=4 127 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 D91120 [0,0,0,0,2,0|1,0,0]=3 128 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 D88597 [0,0,0,0,2,0|0,0,0]=2 129 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 T70641 [0,0,0,0,2,0|2,0,0]=4 130 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 AR3071 [1,0,0,0,0,1|0,0,2]=4 131 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26430 [1,0,0,0,0,1|0,0,2]=4 132 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26460 [1,0,0,0,0,1|0,0,2]=4 133 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 30644 [1,0,0,0,0,1|0,0,2]=4 134 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 25121 [1,0,0,0,0,1|0,0,2]=4 135 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 W12967 [1,0,0,0,0,1|1,0,1]=4