0 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [1,0,0,0,0,0|2,0,0]=3 1 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [1,0,0,0,0,0|0,0,0]=1 25 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [2,0,0,0,0,0|1,0,0]=3 45 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [2,0,0,0,0,0|0,0,2]=4 46 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [2,0,0,0,0,0|1,0,0]=3 73 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [2,0,0,0,0,0|1,0,0]=3 96 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [2,0,0,0,0,0|1,0,0]=3 98 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [2,0,0,0,0,0|1,0,0]=3 99 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [2,0,0,0,0,0|1,0,0]=3 101 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [2,0,0,0,0,0|1,0,0]=3 102 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [2,0,0,0,0,0|1,0,0]=3 103 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [2,0,0,0,0,0|1,0,0]=3 104 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [2,0,0,0,0,0|2,0,0]=4 105 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [2,0,0,0,0,0|0,0,2]=4 106 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [2,0,0,0,0,0|1,0,1]=4 107 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [2,0,0,0,0,0|2,0,0]=4 110 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [2,0,0,0,0,0|1,0,1]=4 112 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [2,0,0,0,0,0|1,0,0]=3 113 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [2,0,0,0,0,0|1,0,1]=4 114 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [2,0,0,0,0,0|1,0,0]=3 115 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 C80025 [1,1,0,0,0,0|0,0,2]=4 116 B13R1.17 O[C@@H](CCCCl)C1=CC=C(Br)C=C1 88329 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.452 CCC[C@H](O)C1=CC=C(OC)C=C1 W12543 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.466 O[C@@H](CCCl)C1=CC(Cl)=C(Cl)C=C1 58148 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.1511 N[C@@H](CCO)C1=C(F)C=C(F)C=C1 N11449 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.1511 N[C@@H](CCO)C1=C(F)C=C(F)C=C1 Y10696 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.525 CC(C)(O)[C@H](O)C1=CC=C(Br)C=C1 P20598 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 N11303 [1,1,0,0,0,0|1,0,0]=3 123 B13R1.2679 CC[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 F20135 [1,1,0,0,0,0|2,0,0]=4 124 B15R1.890 NC(C(=O)O)C(O)C1=CC(O)=C(O)C=C1 D90266 [0,2,0,0,0,0|1,0,1]=4 125 B13R2.12 BrC1=CC=C([C@@H]2CCCO2)C=C1 88342 [1,0,0,1,0,0|2,0,0]=4 126 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 24304 [1,0,0,1,0,0|2,0,0]=4 127 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 D96567 [1,0,0,1,0,0|2,0,0]=4 128 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 AC1673 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.147 O[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 91837 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 90241 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCO2 I11333 [1,0,0,1,0,0|2,0,0]=4 132 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCO2 I11432 [1,0,0,1,0,0|2,0,0]=4 133 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCO2 Y12098 [1,0,0,1,0,0|2,0,0]=4 134 B13R2.5179 CN1CCOC2=C1C=CC(N)=C2 87697 [1,0,0,1,0,0|2,0,0]=4 135 B13R2.5179 CN1CCOC2=C1C=CC(N)=C2 D72053 [1,0,0,1,0,0|2,0,0]=4 136 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 N11158 [1,0,0,1,0,0|0,0,2]=4 137 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Br)=C2 67305 [1,0,0,1,0,0|2,0,0]=4 138 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Br)=C2 F16913 [1,0,0,1,0,0|2,0,0]=4 139 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Br)=C2 N10732 [1,0,0,1,0,0|2,0,0]=4 140 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Br)=C2 Y12099 [1,0,0,1,0,0|2,0,0]=4 141 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Br)=C2 Y12220 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11429 [1,0,0,1,0,0|2,0,0]=4 143 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y11430 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 Y12617 [1,0,0,1,0,0|2,0,0]=4 145 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 33654 [1,0,0,1,0,0|2,0,0]=4 146 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 F16911 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 I11336 [1,0,0,1,0,0|2,0,0]=4 148 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 Y10530 [1,0,0,1,0,0|2,0,0]=4 149 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [1,0,0,1,0,0|2,0,0]=4 150 B13R2.5179 O[C@H]1CCOC2=C1C=CC(Cl)=C2 C11034 [1,0,0,1,0,0|1,0,0]=3 151 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [1,0,0,1,0,0|2,0,0]=4 152 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [1,0,0,1,0,0|1,0,0]=3 153 B13R2.1069 NC1=CC=C(OC2COC2)C=C1 39045 [1,0,0,1,0,0|2,0,0]=4 154 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [1,0,0,1,0,0|2,0,0]=4 155 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [1,0,0,1,0,0|2,0,0]=4 156 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [1,0,0,1,0,0|2,0,0]=4 157 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [1,0,0,1,0,0|2,0,0]=4 158 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [1,0,0,1,0,0|2,0,0]=4 159 B15R2.1510 N[C@@H]1COC[C@@H]1OC2=CC=C(Br)C=C2 D84894 [0,0,0,1,0,1|2,0,0]=4 160 B13R1.14 OC[C@H](O)COC1=CC=C(Br)C=C1 24246 [1,0,0,0,0,1|2,0,0]=4