0 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#CC1=CN=C(N(C)C)C=C1 AC6759 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 30617 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12652 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12653 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y13029 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 CN(C)C1=CC=[N+](C#N)C=C1 H10633 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 CN(C)C1=CN=C(C=O)C=C1 94043 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 78785 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 50211 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 72478 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16907 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13986 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 72621 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.3 NCC1=CC=C(C(F)F)C=C1 71247 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.3 NCC1=NC=C(C(F)F)C=C1 D78995 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.3 OCC1=CN=C(C(F)F)C=C1 P18143 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 OCC1=NC=C(B(O)O)C=C1 FD10242 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.3 C#CC1=CC=C(CBr)C=C1 79956 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.3 C#CC1=CC=C(CCl)C=C1 79958 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [1,0,0,0,0,0|0,0,2]=3 42 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [1,0,0,0,0,0|1,1,0]=3 60 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,0,0,0,0,0|0,0,0]=1 64 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,0,0,0,0,0|1,0,0]=2 95 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y12655 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13063 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13303 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13037 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13064 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13312 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12062 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12063 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=C1 56897 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.6 CC(C)(N)C1=CC=C(C#N)C=C1 AC3687 [0,1,0,0,0,0|1,0,1]=3 141 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 N11053 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.6 NS(=O)(=O)C1=CC=C(CO)C=C1 N16854 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.6 OCC1=NC=C(C(F)(F)F)C=C1 AR2111 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.48 CC1=C(CO)C=CC(B(O)O)=C1 H11429 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.48 CN(C)C1=CC(Cl)=C(C=O)C=C1 T70273 [0,1,0,0,0,0|1,0,2]=4 146 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 N12277 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10287 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10288 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.48 O=[N+]([O-])C1=CC(I)=C(CO)C=C1 W18242 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.48 OCC1=C(Cl)C=C(C(F)F)N=C1 D80138 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 78059 [0,1,0,0,0,0|0,0,1]=2 155 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 W17705 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.113 CCOC1=CC=C([C@H](C)O)C=C1 A12294 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 25981 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 C75240 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [0,1,0,0,0,0|1,0,2]=4 160 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 D84331 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 C72515 [0,1,0,0,0,0|1,0,2]=4 162 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12999 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT13000 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=C1 O11601 [0,1,0,0,0,0|1,0,1]=3 165 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 31107 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.256 CN(C)C1=NC=C(B(O)O)C=C1 26284 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 F52534 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [0,1,0,0,0,0|1,0,1]=3 170 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [0,1,0,0,0,0|1,0,1]=3 171 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14664 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10507 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y10813 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y10953 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 Y10258 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 33993 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 C77341 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [0,1,0,0,0,0|1,0,2]=4 179 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 A12664 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 94898 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 W17054 [0,1,0,0,0,0|1,0,2]=4 182 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.452 C[C@H](N)C1=C(Cl)C=C(C#N)C=C1 D81128 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.452 C[C@H](N)C1=C(F)C=C(C#N)C=C1 D80837 [0,1,0,0,0,0|2,0,1]=4 193 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 51708 [0,0,0,1,0,0|1,0,1]=3 194 B12R2.9 NCC1=CC=C(C2CC2)C=C1 70989 [0,0,0,1,0,0|1,0,0]=2 195 B12R2.9 OCC1=CC=C(C2CC2)C=C1 51967 [0,0,0,1,0,0|0,0,0]=1 196 B10R1.31 CC(C)C1=CC(CO)=NO1 F20217 [0,0,0,0,1,0|2,0,0]=3 197 B10R1.31 CC(C)C1=NC=C(CN)S1 D80421 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.31 CC(C)C1=NOC(CO)=N1 AC7240 [0,0,0,0,1,0|3,0,0]=4 199 B10R1.31 CC(C)N1C=C(CN)C=N1 W17397 [0,0,0,0,1,0|3,0,0]=4 200 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,0,0,0,0,1|2,0,1]=4 201 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,0,0,0,0,1|2,0,1]=4 202 B12R1.4 CC(C)NC1=CC=C(C#N)C=C1 W15912 [0,0,0,0,0,1|1,0,1]=3 203 B12R1.4 CC(C)NC1=NC=C(C#N)C=C1 88569 [0,0,0,0,0,1|2,0,1]=4 204 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 N12164 [0,0,0,0,0,1|1,0,0]=2 205 B12R1.4 CC(C)OC1=NC=C(C#N)C=C1 F31166 [0,0,0,0,0,1|2,0,1]=4 206 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,0,0,0,0,1|2,0,1]=4 207 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 A12454 [0,0,0,0,0,1|2,0,1]=4 208 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 CC1=CN=C(CO)C=N1 26144 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.1 CC1=CN=C(CO)N=C1 38636 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 CC1=NC=C(CN)C=C1 72232 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.1 CCC1=CN=C(O)C=C1 25325 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.1 NCC1=NC=C(O)C=C1 24338 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [2,0,0,0,0,0|2,0,0]=4 240 B11R1.83 C=COC1=CC=C(CO)C=C1 D80867 [1,1,0,0,0,0|0,0,2]=4 241 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.83 CCOC1=NC=C(CCl)C=C1 AB10985 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.83 CCOC1=NC=C(CO)C=C1 20990 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.83 CNCC1=CC=C(C#N)C=C1 C74766 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [1,1,0,0,0,0|1,1,0]=4 249 B11R1.83 N#CC1=CC=C(CCBr)C=C1 26978 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.83 N#CC1=CC=C(CCO)C=C1 30197 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.83 NCCC1=CC=C(C=O)C=C1 51618 [1,1,0,0,0,0|0,0,2]=4 252 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [1,1,0,0,0,0|0,0,2]=4 253 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.279 CCC1=CC(Br)=C(C#N)C=C1 Y11007 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.279 CCC1=CC(F)=C(C=O)C=C1 36776 [1,1,0,0,0,0|0,0,2]=4 256 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.279 CCC1=NC(N)=C(CO)C=N1 C76882 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.279 COC1=C(Cl)C=C(CCl)C=C1 N12801 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.279 COC1=C(N)C=C(CO)C=C1 74962 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.279 COC1=C(O)C=C(CO)N=C1 79208 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.279 COC1=CC(Br)=C(CO)C=C1 96401 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.279 COC1=CC(C)=C(CN)C=C1 N16939 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.279 COC1=CC(Cl)=C(CO)C=C1 W19191 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.279 COC1=CC(F)=C(CBr)C=C1 CL9274 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.279 COC1=CC(F)=C(CN)C=C1 CK2394 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.279 COC1=CC(F)=C(CN)C=C1 Y11728 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.279 COC1=CC(I)=C(CO)C=N1 64882 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.279 COC1=CC(N)=C(CO)C=C1 F15701 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.279 COC1=CC=C(CO)N=C1Cl W17845 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.279 N#CC1=C(Br)C=C(CO)C=C1 AC7179 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.279 N#CC1=CC(Br)=C(CO)C=C1 CL9592 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 C11418 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.19 CC(C)(C)C1=CN=C(Br)C=C1 P18025 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P18762 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.19 CC(C)(C)C1=CN=C(N)C=C1 D95143 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 84353 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.19 CC(C)(F)C1=CC=C(Br)C=C1 F51874 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 91218 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 W17967 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.19 CC(C)(O)C1=CN=C(N)C=C1 W17246 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.21 CC(C)C1=CC(F)=C(Br)C=C1 D93757 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 F11367 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.21 CC(C)C1=CC(N)=C(N)C=C1 D78649 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y11738 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12483 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12484 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13421 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13422 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y10159 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y11763 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13629 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13905 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 F16970 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11029 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11059 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11531 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 F16962 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10261 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10483 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10896 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.21 CC1=C(Cl)C=CC([C@H](C)O)=C1 W19076 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 N10471 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y10777 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14522 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14600 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20091 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20093 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F16977 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 N14192 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11247 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11248 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 F14410 [1,1,0,0,0,0|0,0,0]=2 322 B11R1.21 CN(C)C1=CC(N)=C(N)C=C1 F31304 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.21 C[C@H](Br)C1=CC(F)=C(F)C=C1 C77557 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 N10463 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 Y10442 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N10743 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 Y10815 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 I11039 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N10849 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y10524 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y10673 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 N10467 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 N10948 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 Y10300 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y11210 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y11211 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y12971 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 20137 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 F16865 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 N10497 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 73374 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y10166 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y10893 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [1,1,0,0,0,0|1,0,1]=4 405 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 F51191 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.166 CC(C)N1C=CC(Br)=CC1=O W11507 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.166 CC(C)N1C=CC(N)=CC1=O P17103 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 A12536 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10861 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10895 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11476 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11477 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11919 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11920 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y12621 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81528 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20177 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 D81223 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 Y10218 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 Y10360 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 D80666 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 D81664 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 41021 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 41031 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 N10675 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 N10686 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 Y10648 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 Y11061 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N16827 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N16937 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N17056 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 N10465 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.45 CC(C)(C)C1=CSC(CO)=N1 C75264 [0,1,0,0,1,0|2,0,0]=4 438 B11R1.50 CC(C)C1=CC(CO)=NN1C P19813 [0,1,0,0,1,0|2,0,0]=4 439 B11R1.175 CC(C)C1=CC=C(C(=O)O)N1 C77075 [0,1,0,0,1,0|1,0,1]=4 440 B13R1.4 CC(C)(C)OC1=CC=C(CBr)C=C1 AB10394 [0,1,0,0,0,1|1,0,0]=3 441 B13R1.4 CC(C)(C)OC1=CC=C(CO)C=C1 CL8733 [0,1,0,0,0,1|0,0,0]=2 442 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 F30376 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.5 COC1=CC=C(O[C@@H](C)CN)C=C1 AR3968 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.36 CN(C)C(=O)C1=CC=C(CO)C=C1 F53479 [0,1,0,0,0,1|1,0,0]=3 445 B13R1.142 CN(C)CC1=CC=C(CCN)C=C1 AC1398 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.585 CC(C)CC1=CC=C([C@H](C)N)C=C1 N12537 [0,1,0,0,0,1|1,0,0]=3 447 B13R1.585 CC(C)CC1=CC=C([C@H](C)N)C=C1 Y13406 [0,1,0,0,0,1|1,0,0]=3 448 B13R1.585 CC(C)CC1=CC=C([C@H](C)O)C=C1 62776 [0,1,0,0,0,1|0,0,0]=2 449 B13R1.585 CC(C)CC1=CC=C([N+](=O)[O-])C=C1 W17026 [0,1,0,0,0,1|1,0,1]=4 450 B13R1.585 CC(C)NC1=CC=C([N+](=O)[O-])C=C1 76821 [0,1,0,0,0,1|1,0,1]=4 451 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 D81602 [0,1,0,0,0,1|1,0,0]=3 452 B13R1.585 CN(C)CC1=CC=C(B(O)O)C=C1 70269 [0,1,0,0,0,1|2,0,0]=4 453 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 N10289 [0,1,0,0,0,1|1,0,1]=4 454 B13R1.653 OCC1=CC(F)=C(OC(F)F)C=C1 79710 [0,1,0,0,0,1|2,0,0]=4 455 B13R1.39 COC(OC)C1=CC=C(C#N)C=C1 D84542 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.95 COC(=O)C1=C(F)C=C(CO)C=C1 AT19256 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.95 COC(=O)C1=C(N)C=C(CO)C=C1 D93330 [0,2,0,0,0,0|1,0,1]=4 458 B13R1.95 COC(=O)C1=C(O)C=C(CO)C=C1 D93572 [0,2,0,0,0,0|1,0,1]=4 459 B13R1.139 CCOC1=CC=C([C@@H](N)CC)C=C1 N16809 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 Y11485 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.139 CCOC1=CC=C([C@@H](O)CC)C=C1 D93349 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.139 CCSC1=CC=C([C@@H](N)CO)C=C1 Y10868 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.139 COC(=O)C1=CC=C(CCO)C=C1 79415 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.139 COCC1=CC=C(C(=O)OC)C=C1 72033 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.187 CC(C)(C#N)C1=CC=C(CBr)C=C1 F19942 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.187 CC(C)(C#N)C1=CC=C(CO)C=C1 D81192 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.537 C=C[C@H](N)C1=CC=C(N(C)C)C=C1 Y12083 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.537 C=C[C@H](N)C1=CC=C(N(C)C)C=C1 Y12084 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.537 C=C[C@H](N)C1=CC=C(N(C)C)C=C1 Y12995 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.537 CC(C)C1=CC=C([C@@H](N)CO)C=C1 N12733 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.537 CC[C@H](N)C1=CC=C(N(C)C)C=C1 Y13274 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 O10668 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.537 CN[C@@H](C)C1=CC=C(C(=O)O)C=C1 Y12194 [0,2,0,0,0,0|0,0,1]=3 474 B13R1.537 CN[C@@H](C)C1=CC=C(C(=O)O)C=C1 Y12195 [0,2,0,0,0,0|0,0,1]=3 475 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 Y12286 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 Y12474 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 71166 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.537 N[C@@H](CO)C1=CC=C(C(=O)O)C=C1 Y14261 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.3088 COC(=O)C1=CC(Br)=C(CO)C=C1 RB3304 [0,2,0,0,0,0|1,0,1]=4 480 B13R1.38 CC(C)(C)C1=CC(Br)=C(C=O)C=C1 I11112 [0,2,0,0,0,0|0,0,2]=4 481 B13R1.38 CC(C)(C)C1=CC(O)=C(C#N)C=C1 C90404 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.38 CC(C)(O)C1=CC(F)=C(C#N)C=C1 F50787 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.38 COC1=C(Br)C=C(C(C)(C)C)C=C1 N10653 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.38 COC1=C(Br)C=C(C(C)(C)O)C=C1 74502 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.38 NC1=C(CO)C=CC(C(F)(F)F)=C1 C73582 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.38 OCC1=C(I)C=C(C(F)(F)F)C=C1 CL8934 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.140 CC(C)(C)C1=CC=C(N=C=O)C=C1 A12214 [0,2,0,0,0,0|0,0,2]=4 488 B13R1.140 CNCC1=CC=C(C(C)(C)C)C=C1 C78383 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.338 CC(=O)C1=CC=C(C(C)(C)O)C=C1 A10901 [0,2,0,0,0,0|0,0,2]=4 490 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 D82332 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.338 CC(C)(O)C1=CC=C(C(=O)O)C=C1 30806 [0,2,0,0,0,0|0,0,1]=3 492 B13R1.338 CC(C)(O)C1=CC=C([N+](=O)[O-])C=C1 C80092 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 Y11770 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 Y11771 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 Y13271 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 Y13911 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.338 C[C@H](N)C1=CC=C(C(F)(F)F)C=C1 CL8673 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.338 C[C@H](N)C1=CC=C(C(F)(F)F)C=C1 Y10173 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.338 C[C@H](O)C1=CC=C(C(F)(F)F)C=C1 C77385 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.120 CC(C)C1=C(Br)C=C(C(=O)O)C=C1 S11380 [0,2,0,0,0,0|0,0,1]=3 501 B13R1.120 CC(C)C1=C(I)C=C(C(=O)O)C=C1 I11597 [0,2,0,0,0,0|0,0,1]=3 502 B13R1.120 CC(C)C1=C(N)C=C([N+](=O)[O-])C=C1 36546 [0,2,0,0,0,0|1,0,1]=4 503 B13R1.120 CC(C)C1=CC(F)=C(C(=O)O)C=C1 D80425 [0,2,0,0,0,0|0,0,1]=3 504 B13R1.120 CC(C)C1=CC(O)=C(C(C)C)C=C1 D95142 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.120 CC(C)N1C=CC(C(=O)O)=CC1=O P17758 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.120 CN(C)C1=C(Br)C=C(C(=O)O)C=C1 I11742 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 36751 [0,2,0,0,0,0|1,0,1]=4 508 B13R1.74 CCNCC1=CC=C(N(C)C)C=C1 32346 [0,2,0,0,0,0|2,0,0]=4 509 B11R2.190 C=CC1=CC2=C(C=C1)CC2 67824 [1,0,0,1,0,0|1,0,1]=4 510 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.34 BrC1=NC=C(C2CC2)C=C1 81857 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.34 ClC1=NC=C(C2CC2)C=C1 81869 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.34 NC1=CC=C(C2CC2)C=C1 26267 [1,0,0,1,0,0|1,0,0]=3 514 B11R2.34 NC1=CC=C(C2CC2)C=C1 33400 [1,0,0,1,0,0|1,0,0]=3 515 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [1,0,0,1,0,0|2,0,0]=4 516 B11R2.34 NC1=NC=C(C2CC2)C=C1 94373 [1,0,0,1,0,0|2,0,0]=4 517 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [1,0,0,1,0,0|1,0,0]=3 518 B11R2.21 OCC1=CN=C(C2CC2)O1 W17875 [0,0,0,1,1,0|2,0,0]=4 519 B13R2.16 OCC1=CC=C(C2CC2F)C=C1 D79360 [0,0,0,1,0,1|1,0,0]=3 520 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)S1 86177 [0,0,0,1,0,1|1,0,1]=4 521 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 C72464 [0,0,0,1,0,1|1,0,1]=4 522 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)S1 92513 [0,0,0,1,0,1|1,0,1]=4 523 B13R2.2121 CN1C=C2C=C(CO)C=CC2=N1 P11339 [0,0,0,1,0,1|1,0,1]=4 524 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 P12642 [0,0,0,1,0,1|1,0,1]=4 525 B13R2.185 N#CC1=CC=C(C2CNC2)C=C1 85629 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.185 NCC1=CC=C(C2CCC2)C=C1 33787 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 27016 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 Y10031 [0,1,0,1,0,0|1,0,1]=4 529 B13R2.2130 CN1C=NC2=C1C=CC(CO)=C2 C14242 [0,1,0,1,0,0|1,0,1]=4 530 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 I10960 [0,1,0,1,0,0|1,0,1]=4 531 B13R2.430 CC(C)C1=CC2=C(C=C1)NC=C2 F17759 [0,1,0,1,0,0|1,0,1]=4 532 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 Y14532 [0,1,0,1,0,0|1,0,0]=3 533 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCC2 N13157 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCC2 Y12593 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 92497 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.2396 N#CC1=C(Br)C=C(C2CC2)C=C1 D80358 [0,1,0,1,0,0|1,0,1]=4 537 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 F10333 [0,1,0,1,0,0|0,0,2]=4 538 B13R2.428 O=C(Cl)C1=CC=C(C2CC2)C=C1 35042 [0,1,0,1,0,0|0,0,2]=4 539 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 59396 [0,1,0,1,0,0|0,0,1]=3 540 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 O11587 [0,1,0,1,0,0|1,0,1]=4 541 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 D84002 [0,1,0,1,0,0|1,0,1]=4 542 B13R2.428 OB(O)C1=CN=C(C2CC2)C=C1 O10139 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.21 CCC1=NOC(CO)=C1 D78962 [1,0,0,0,1,0|2,0,0]=4 544 B9R1.21 CCN1C=C(CO)C=N1 71382 [1,0,0,0,1,0|2,0,0]=4 545 B9R1.21 CSC1=CC=C(CO)O1 D93647 [1,0,0,0,1,0|2,0,0]=4 546 B9R1.35 CC(C)N1C=C(O)C=N1 Y11650 [1,0,0,0,1,0|2,0,0]=4 547 B9R1.35 CC(C)N1C=CC(O)=N1 79210 [1,0,0,0,1,0|2,0,0]=4 548 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [1,0,0,0,1,0|2,0,0]=4 549 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [1,0,0,0,0,1|1,0,0]=3 550 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [1,0,0,0,0,1|2,0,0]=4 551 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [1,0,0,0,0,1|2,0,0]=4 552 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [1,0,0,0,0,1|1,0,0]=3 553 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [1,0,0,0,0,1|2,0,0]=4 554 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [1,0,0,0,0,1|1,0,0]=3 555 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [1,0,0,0,0,1|1,0,0]=3 556 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [1,0,0,0,0,1|2,0,0]=4 557 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [1,0,0,0,0,1|2,0,0]=4 558 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [1,0,0,0,0,1|2,0,0]=4 559 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [1,0,0,0,0,1|2,0,0]=4 560 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [1,0,0,0,0,1|2,0,0]=4 561 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [1,0,0,0,0,1|2,0,0]=4 562 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [1,0,0,0,0,1|1,0,0]=3 563 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [1,0,0,0,0,1|2,0,0]=4 564 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 39101 [0,0,0,0,1,1|1,0,0]=3 565 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 F52586 [0,0,0,0,1,1|1,0,1]=4 566 B11R1.266 CCC1=CC=CC([C@H](C)N)=C1 Y12133 [0,0,0,0,1,1|2,0,0]=4 567 B11R1.266 CCC1=CC=CC([C@H](C)N)=C1 Y12134 [0,0,0,0,1,1|2,0,0]=4 568 B11R1.266 CCC1=CC=CC([C@H](C)N)=C1 Y12985 [0,0,0,0,1,1|2,0,0]=4 569 B11R1.266 CN(C)C1=CC(CN)=CC=C1 71130 [0,0,0,0,1,1|2,0,0]=4 570 B11R1.266 CN(C)C1=CC(CO)=NC=C1 W16229 [0,0,0,0,1,1|1,0,0]=3 571 B13R1.3 CC(C)COC1=CC=C(C#N)C=C1 87764 [0,0,0,0,0,2|1,0,1]=4 572 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 87763 [0,0,0,0,0,2|1,0,0]=3 573 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 C13079 [0,0,0,0,0,2|1,0,0]=3 574 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 C78415 [0,0,0,0,0,2|2,0,0]=4