0 B13R2.1069 BrC1=CC=C(CC2CNC2)C=C1 P34989 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.1069 BrC1=CC=C(CN2CCC2)C=C1 P42857 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1069 BrC1=CC=C(OC2CNC2)C=C1 O28297 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.1069 CC1=CC=C(CC2CNC2)C=C1 P34991 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.1069 CC1=CC=C(OC2CNC2)C=C1 O28298 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.1069 ClC1=CC=C(CC2CNC2)C=C1 P37122 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.1069 ClC1=CC=C(OC2CNC2)C=C1 O28342 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.1069 ClC1=CC=C(OC2CNC2)C=C1 Q54773 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.1069 FC1=CC=C(CC2CNC2)C=C1 P34985 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.1069 FC1=CC=C(OC2CNC2)C=C1 O28293 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.1069 NC1=CC=C(OC2CCC2)C=C1 P42060 [0,0,0,0,0,0|1,0,0]=1 11 B13R2.1069 NC1=CC=C(OC2COC2)C=C1 I-9053 [0,0,0,0,0,0|0,0,0]=0 12 B13R2.1069 NC1=CC=C(OC2COC2)N=C1 I-9526 [0,0,0,0,0,0|1,0,0]=1 13 B13R2.1069 NC1=CN=C(OC2COC2)N=C1 I-9564 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.2058 C1=CC=C(NC2CNC2)C=C1 P36319 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 G-7276 [1,0,0,0,0,0|1,0,0]=2 18 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 M22662 [1,0,0,0,0,0|1,0,0]=2 19 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 P35306 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.2058 C1=CN=CC(OC2CNC2)=C1 P39560 [1,0,0,0,0,0|2,0,0]=3 21 B14R2.331 COC1=CC=C(CC2CNC2)C=C1 P34993 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.331 COC1=CC=C(OC2CNC2)C=C1 O28294 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.331 N#CC1=CC=C(OC2CNC2)C=C1 P34874 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.331 NCC1=CC=C(CN2CCC2)C=C1 P44830 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.331 NCC1=CC=C(OC2COC2)C=C1 G-7430 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.947 CC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 I-9672 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.947 NC1=CC=C(CN2CC(O)C2)C=C1 P42856 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.947 O=C1CC(OC2=CC=C(I)C=C2)C1 F-4530 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CCC2 O28282 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CNC2 O33557 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CNC2 S70292 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.10606 O=C(C1=CC=C(Cl)C=C1)C2CNC2 P36044 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.10606 O=C(C1=CC=C(F)C=C1)C2CNC2 P41099 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.10607 ClC1=CC=C(OC2CNC2)C=C1Cl O28302 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.10607 FC1=CC=C(OC2CNC2)C=C1F P34840 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.10607 NC1=CC=C(OC2CCC2)C=C1F H-8065 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.30090 FC1=CC=C(OC2CNC2)C(F)=C1 P34834 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.1 CNCCCC1=CC=C(Br)C=C1 P35409 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.1 CNCCCC1=CC=C(F)C=C1 P37997 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.1 CNCCOC1=CC=C(N)C=C1 P39260 [0,0,1,0,0,0|1,0,0]=2 41 B12R1.1 COCCNC1=NC=C(Br)C=C1 P43111 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.1 COCCOC1=CC=C(N)C=C1 P38759 [0,0,1,0,0,0|0,0,0]=1 43 B12R1.1 COCCOC1=NC=C(Br)C=C1 N24356 [0,0,1,0,0,0|2,0,0]=3 44 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 P39095 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.1 FC1=CC=C(OCCCBr)C=C1 P42593 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.1 NCCCOC1=CC=C(F)C=C1 P42484 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.49 CC(CN)OC1=CC=C(Cl)C=C1 P40582 [0,0,1,0,0,0|2,0,0]=3 48 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.49 NC1=CC=C(NC(=O)CO)C=C1 P40684 [0,0,1,0,0,0|2,0,1]=4 54 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [0,0,1,0,0,0|3,0,0]=4 61 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 P38401 [0,0,0,0,1,0|1,0,0]=2 62 B12R2.294 FC1=CC=C(NC2CC2)C=C1 P41523 [0,0,0,0,1,0|2,0,0]=3 63 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 N25053 [0,0,0,0,1,0|2,0,0]=3 64 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 P44403 [0,0,0,0,1,0|2,0,0]=3 65 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 G-7440 [0,0,0,0,1,0|1,0,0]=2 66 B12R2.2302 NC1=CC=C(N2CCC2)C=C1 P38671 [0,0,0,0,1,0|2,0,0]=3 67 B12R2.2302 NC1=CC=C(N2CCC2)N=C1 P42852 [0,0,0,0,1,0|3,0,0]=4 68 B12R2.2302 OC1=CC=C(C2CCC2)C=C1 N25921 [0,0,0,0,1,0|2,0,0]=3 69 B14R2.72 BrC1=CC=C(CC2CCNC2)C=C1 P41524 [0,0,0,0,0,1|3,0,0]=4 70 B14R2.72 BrC1=CC=C(OC2CCNC2)C=C1 O28825 [0,0,0,0,0,1|2,0,0]=3 71 B14R2.72 CC1=CC=C(CC2CCNC2)C=C1 P40148 [0,0,0,0,0,1|3,0,0]=4 72 B14R2.72 CC1=CC=C(OC2CCNC2)C=C1 P34889 [0,0,0,0,0,1|2,0,0]=3 73 B14R2.72 CC1=CC=C(O[C@@H]2CCNC2)C=C1 P41910 [0,0,0,0,0,1|2,0,0]=3 74 B14R2.72 CC1=CC=C(O[C@H]2CCNC2)C=C1 P41909 [0,0,0,0,0,1|2,0,0]=3 75 B14R2.72 ClC1=CC=C(OC2CCNC2)C=C1 O28569 [0,0,0,0,0,1|2,0,0]=3 76 B14R2.72 ClC1=CC=C(O[C@H]2CCNC2)C=C1 O28567 [0,0,0,0,0,1|2,0,0]=3 77 B14R2.72 FC1=CC=C(CC2CCNC2)C=C1 P40147 [0,0,0,0,0,1|3,0,0]=4 78 B14R2.72 FC1=CC=C(OC2CCNC2)C=C1 O28806 [0,0,0,0,0,1|2,0,0]=3 79 B14R2.72 FC1=CC=C(O[C@@H]2CCNC2)C=C1 O28566 [0,0,0,0,0,1|2,0,0]=3 80 B14R2.72 NC1=CC=C(CN2CCCC2)C=C1 P41301 [0,0,0,0,0,1|3,0,0]=4 81 B14R2.72 NC1=CC=C(OC2CCCC2)C=C1 P39229 [0,0,0,0,0,1|1,0,0]=2 82 B14R2.72 NC1=CC=C(OC2CCOC2)C=C1 M22893 [0,0,0,0,0,1|0,0,0]=1 83 B14R2.10626 ClC1=CC=C(COC2CNC2)C=C1 P35307 [0,0,0,0,0,1|2,0,0]=3 84 B14R2.10626 ClC1=CC=C(OCC2CNC2)C=C1 P34836 [0,0,0,0,0,1|2,0,0]=3 85 B11R1.1 BrCCOC1=CC=C(Br)C=C1 P40240 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.1 C#CCOC1=CC=C(N)C=C1 P39226 [1,0,1,0,0,0|0,0,2]=4 87 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.1 CC1=CC=C(OCCN)C=C1 P39224 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.1 CC1=CC=C(OCCO)C=C1 P41034 [1,0,1,0,0,0|1,0,0]=3 90 B11R1.1 CCCNC1=CC=C(Br)C=C1 L20694 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Q67615 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [1,0,1,0,0,0|2,0,0]=4 96 B11R1.1 COCOC1=CC=C(Br)C=C1 Q66626 [1,0,1,0,0,0|1,0,0]=3 97 B11R1.1 COCOC1=CC=C(C)C=C1 Q67077 [1,0,1,0,0,0|1,0,0]=3 98 B11R1.1 COCOC1=CC=C(Cl)C=C1 Q66756 [1,0,1,0,0,0|1,0,0]=3 99 B11R1.1 COCOC1=CC=C(F)C=C1 Q66729 [1,0,1,0,0,0|1,0,0]=3 100 B11R1.1 COCOC1=CN=C(Br)C=C1 N26410 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.1 COCOC1=CN=C(Cl)C=C1 Q69334 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.1 COCOC1=CN=C(F)C=C1 Q67767 [1,0,1,0,0,0|2,0,0]=4 103 B11R1.1 ClC1=CC=C(OCCBr)C=C1 P39956 [1,0,1,0,0,0|2,0,0]=4 104 B11R1.1 ClCCOC1=CC=C(Br)C=C1 Q66285 [1,0,1,0,0,0|2,0,0]=4 105 B11R1.1 FCCOC1=CC=C(Br)C=C1 Q66290 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [1,0,1,0,0,0|1,0,0]=3 107 B11R1.1 NC1=CC=C(NCCO)C=C1 P40155 [1,0,1,0,0,0|1,0,0]=3 108 B11R1.1 NC1=CC=C(OCCO)C=C1 P36875 [1,0,1,0,0,0|0,0,0]=2 109 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.1 NCCOC1=CC=C(Br)C=C1 P39225 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.1 NCCOC1=CC=C(Cl)C=C1 P39041 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.1 NCCOC1=CC=C(F)C=C1 P37101 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.1 NCCOC1=CC=C(N)C=C1 P36425 [1,0,1,0,0,0|1,0,0]=3 114 B11R1.1 NCCOC1=CC=C(O)C=C1 P37780 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [1,0,1,0,0,0|2,0,0]=4 116 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [1,0,1,0,0,0|2,0,0]=4 117 B11R1.1 OCCOC1=CC=C(Br)C=C1 P38648 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.1 OCCOC1=CC=C(Cl)C=C1 P40217 [1,0,1,0,0,0|1,0,0]=3 119 B11R1.1 OCCOC1=CC=C(F)C=C1 P39022 [1,0,1,0,0,0|1,0,0]=3 120 B11R1.1 OCCOC1=CC=C(I)C=C1 P39004 [1,0,1,0,0,0|1,0,0]=3 121 B11R1.1 OCCOC1=NC=C(Br)C=C1 N25245 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [1,0,1,0,0,0|0,0,2]=4 125 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [1,0,1,0,0,0|1,0,0]=3 129 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [1,0,1,0,0,0|1,0,0]=3 130 B11R1.20 CC(C)OC1=CC=C(N)C=N1 Q53684 [1,0,1,0,0,0|1,0,0]=3 131 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [1,0,1,0,0,0|1,0,0]=3 132 B11R1.20 CC(C)OC1=CN=C(F)C=C1 N25011 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Q67257 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 N24389 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.20 CC(C)OC1=NC=C(I)C=C1 N24494 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.20 CC(C)OC1=NC=C(O)C=C1 N26096 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [1,0,1,0,0,0|1,0,0]=3 139 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [1,0,1,0,0,0|2,0,0]=4 140 B13R1.9 CC1=CC=C(OCCCCO)C=C1 P37157 [0,1,1,0,0,0|2,0,0]=4 141 B13R1.9 CCCCCOC1=CC=C(Br)C=C1 Q67253 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.9 CCOCCOC1=NC=C(Br)C=C1 O31234 [0,1,1,0,0,0|2,0,0]=4 143 B13R1.9 NC1=CC=C(OCCCCO)C=C1 P34771 [0,1,1,0,0,0|1,0,0]=3 144 B13R1.9 OCCCCOC1=CC=C(Br)C=C1 P37159 [0,1,1,0,0,0|2,0,0]=4 145 B13R1.9 OCCCCOC1=CC=C(Cl)C=C1 P37479 [0,1,1,0,0,0|2,0,0]=4 146 B13R1.9 OCCCCOC1=CC=C(F)C=C1 P42582 [0,1,1,0,0,0|2,0,0]=4 147 B13R1.9 OCCCCOC1=CC=C(O)C=C1 P41131 [0,1,1,0,0,0|2,0,0]=4 148 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,1,1,0,0,0|1,0,1]=4 149 B13R1.14 COC(=O)CNC1=CC=C(N)C=C1 Q66035 [0,1,1,0,0,0|1,0,1]=4 150 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,1,1,0,0,0|1,0,1]=4 151 B13R1.369 CCCCOC1=CC=C(Br)C=C1Cl Q67555 [0,1,1,0,0,0|2,0,0]=4 152 B13R1.369 CCCCOC1=CC=C(Br)C=C1F Q66664 [0,1,1,0,0,0|2,0,0]=4 153 B13R1.369 CCCCOC1=CC=C(F)C=C1Br Q67186 [0,1,1,0,0,0|2,0,0]=4 154 B13R1.513 CN(C)CCNC1=CC=C(N)C=C1 P39240 [0,1,1,0,0,0|2,0,0]=4 155 B13R1.513 CN(C)CCOC1=CC=C(Br)C=C1 P39387 [0,1,1,0,0,0|2,0,0]=4 156 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 P37007 [0,1,1,0,0,0|1,0,0]=3 157 B13R1.669 CCCCOC1=CC=C(Br)C(C)=C1 Q66768 [0,1,1,0,0,0|2,0,0]=4 158 B13R1.669 CCCCOC1=CC=C(Br)C(F)=C1 Q67469 [0,1,1,0,0,0|2,0,0]=4 159 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O O28024 [0,1,1,0,0,0|1,0,1]=4 160 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O O28065 [0,1,1,0,0,0|1,0,1]=4 161 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O O28022 [0,1,1,0,0,0|1,0,1]=4 162 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 O27945 [0,1,1,0,0,0|1,0,1]=4 163 B13R1.145 NC1=CC=C(OC(CF)CF)C=C1 F-4271 [0,1,1,0,0,0|1,0,0]=3 164 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.221 CC1(OC2=CC=CC=C2)CNC1 O28324 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.221 NC1(CC2=CC=CC=C2)COC1 H-8061 [1,1,0,0,0,0|1,0,0]=3 167 B13R2.221 NC1(CC2=CC=CC=C2)COC1 L13939 [1,1,0,0,0,0|1,0,0]=3 168 B13R2.3021 BrC1=CC(CC2CNC2)=CC=C1 P34986 [1,1,0,0,0,0|2,0,0]=4 169 B13R2.3021 ClC1=CC(CC2CNC2)=CC=C1 P43017 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.3021 ClC1=CC(OC2CNC2)=CC=C1 P35634 [1,1,0,0,0,0|1,0,0]=3 171 B13R2.3021 FC1=CC(CC2CNC2)=CC=C1 P34987 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.3021 FC1=CC(OC2CNC2)=CC=C1 O28296 [1,1,0,0,0,0|1,0,0]=3 173 B13R2.5225 BrC1=CC=CC=C1CC2CNC2 P43052 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.5225 ClC1=CC=CC=C1CC2CNC2 P34992 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.5225 ClC1=CC=CC=C1OC2CNC2 P34838 [1,1,0,0,0,0|1,0,0]=3 176 B13R2.5225 FC1=CC=CC=C1CC2CNC2 P43053 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.5225 FC1=CC=CC=C1OC2CNC2 P35084 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 O34324 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 P51530 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.148 CC1=CC=C(CC2(N)CC2)C=C1 Q66085 [0,1,0,0,1,0|2,0,0]=4 181 B13R2.148 NC1(CC2=CC=C(Br)C=C2)CC1 Q66080 [0,1,0,0,1,0|2,0,0]=4 182 B13R2.148 NC1(CC2=CC=C(Cl)C=C2)CC1 Q66034 [0,1,0,0,1,0|2,0,0]=4 183 B13R2.148 NC1(CC2=CC=C(F)C=C2)CC1 H-8059 [0,1,0,0,1,0|2,0,0]=4 184 B13R2.148 NC1(CC2=CC=C(I)C=C2)CC1 Q66081 [0,1,0,0,1,0|2,0,0]=4 185 B13R2.520 NC(C1=CC=C(Br)C=C1)C2CC2 P35218 [0,1,0,0,1,0|2,0,0]=4 186 B13R2.520 NC(C1=CC=C(Cl)C=C1)C2CC2 P42133 [0,1,0,0,1,0|2,0,0]=4 187 B13R2.520 NC(C1=CC=C(F)C=C1)C2CC2 P36527 [0,1,0,0,1,0|2,0,0]=4 188 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 P36561 [0,1,0,0,1,0|2,0,0]=4 189 B13R2.520 O=C(C1=CC=C(F)C=C1)C2CC2 P36138 [0,1,0,0,1,0|2,0,0]=4 190 B13R2.147 FC1CC(C2=CC=C(Br)C=C2)C1 P43353 [0,1,0,0,1,0|2,0,0]=4 191 B13R2.147 NC1=CC=C(C2CC(F)C2)C=C1 P43350 [0,1,0,0,1,0|1,0,0]=3 192 B13R2.147 NC1=CC=C(N2CC(O)C2)C=C1 P38669 [0,1,0,0,1,0|2,0,0]=4 193 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,1,0,0,1,0|2,0,0]=4 194 B13R2.185 O=CC1=CC=C(C2CCC2)C=C1 N26246 [0,1,0,0,1,0|2,0,0]=4 195 B13R2.185 OCC1=CC=C(C2CCC2)C=C1 N27122 [0,1,0,0,1,0|2,0,0]=4 196 B13R2.1066 CC1=CC(N2CCC2)=CC=C1N P38670 [0,1,0,0,1,0|2,0,0]=4 197 B13R2.2986 CC1(C2=CC=C(Br)C=C2)COC1 G-7443 [0,1,0,0,1,0|1,0,0]=3 198 B13R2.2986 CC1(C2=CC=C(N)C=C2)COC1 L13420 [0,1,0,0,1,0|0,0,0]=2 199 B13R2.2986 FC1(C2=CC=C(Br)C=C2)CNC1 M22602 [0,1,0,0,1,0|2,0,0]=4 200 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 P42373 [0,1,0,0,1,0|2,0,0]=4 201 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 P48686 [0,1,0,0,1,0|1,0,0]=3 202 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 L21535 [0,1,0,0,1,0|1,0,0]=3 203 B13R2.2986 NC1(C2=CC=C(F)C=C2)CCC1 P42233 [0,1,0,0,1,0|2,0,0]=4 204 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 L13136 [0,1,0,0,1,0|1,0,0]=3 205 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 N24769 [0,1,0,0,1,0|2,0,0]=4 206 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 G-6610 [0,1,0,0,1,0|1,0,0]=3 207 B13R2.2986 OC1(C2=CC=C(F)C=C2)CNC1 P35829 [0,1,0,0,1,0|2,0,0]=4 208 B15R2.34 COC1=CC=C(OC2CCNC2)C=C1 O28797 [0,1,0,0,0,1|2,0,0]=4 209 B15R2.34 COC1=CC=C(O[C@@H]2CCNC2)C=C1 P40931 [0,1,0,0,0,1|2,0,0]=4 210 B15R2.34 COC1=CC=C(O[C@H]2CCNC2)C=C1 P40930 [0,1,0,0,0,1|2,0,0]=4 211 B15R2.34 O=CC1=CC=C(OC2CCCC2)C=C1 P40752 [0,1,0,0,0,1|2,0,0]=4 212 B15R2.92 FC1=CC=C(OC2CCNC2)C=C1Cl P34893 [0,1,0,0,0,1|2,0,0]=4 213 B15R2.92 FC1=CC=C(OC2CCNC2)C=C1F P34891 [0,1,0,0,0,1|2,0,0]=4 214 B15R2.1154 CC1=CC(F)=CC=C1OC2CCNC2 P34906 [0,1,0,0,0,1|2,0,0]=4 215 B15R2.1154 FC1=CC(Br)=CC=C1OC2CCNC2 P34907 [0,1,0,0,0,1|2,0,0]=4 216 B15R2.1154 FC1=CC=C(OC2CCNC2)C(Cl)=C1 P34896 [0,1,0,0,0,1|2,0,0]=4 217 B15R2.1154 FC1=CC=C(OC2CCNC2)C(F)=C1 P34901 [0,1,0,0,0,1|2,0,0]=4 218 B15R2.432 COC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 I-9699 [0,2,0,0,0,0|2,0,0]=4 219 B15R2.16219 O=C(O)C1=CC=C(OC2COC2)C=C1 Q69652 [0,2,0,0,0,0|1,0,0]=3 220 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 O31238 [0,0,1,1,0,0|2,0,0]=4 221 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 P39241 [0,0,1,1,0,0|2,0,0]=4 222 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [0,0,1,0,1,0|2,0,0]=4 223 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [0,0,1,0,1,0|2,0,0]=4 224 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [0,0,1,0,1,0|2,0,0]=4 225 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [0,0,1,0,1,0|2,0,0]=4 226 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [0,0,1,0,1,0|2,0,0]=4 227 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [0,0,1,0,1,0|2,0,0]=4 228 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [0,0,1,0,1,0|2,0,0]=4 229 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [0,0,1,0,1,0|2,0,0]=4 230 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [0,0,1,0,1,0|2,0,0]=4 231 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [0,0,1,0,1,0|2,0,0]=4 232 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [0,0,1,0,1,0|2,0,0]=4 233 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [0,0,1,0,1,0|2,0,0]=4 234 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [0,0,1,0,1,0|2,0,0]=4 235 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [0,0,1,0,1,0|2,0,0]=4 236 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [0,0,1,0,1,0|2,0,0]=4 237 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [1,0,0,0,1,0|2,0,0]=4 238 B11R2.238 C1=CC=C(NC2CC2)C=C1 M22854 [1,0,0,0,1,0|1,0,0]=3 239 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [1,0,0,0,1,0|2,0,0]=4 240 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [1,0,0,0,1,0|1,0,0]=3 241 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [1,0,0,0,1,0|1,0,0]=3 242 B11R2.239 C1=CN=C(C2CNC2)C=C1 P46398 [1,0,0,0,1,0|2,0,0]=4 243 B11R2.34 BrC1=CC=C(C2CC2)C=C1 O30566 [0,0,0,0,2,0|1,0,0]=3 244 B11R2.34 BrC1=CC=C(C2CO2)C=C1 P38852 [0,0,0,0,2,0|1,0,0]=3 245 B11R2.34 CC1=CC=C(C2CN2)C=C1 P36371 [0,0,0,0,2,0|2,0,0]=4 246 B11R2.34 ClC1=CC=C(C2CN2)C=C1 P36104 [0,0,0,0,2,0|2,0,0]=4 247 B11R2.34 ClC1=NC=C(C2CC2)C=C1 Q67831 [0,0,0,0,2,0|2,0,0]=4 248 B11R2.34 FC1=CC=C(C2CO2)C=C1 P40301 [0,0,0,0,2,0|1,0,0]=3 249 B11R2.34 FC1=NC=C(C2CC2)C=C1 N26245 [0,0,0,0,2,0|2,0,0]=4 250 B11R2.34 NC1=CC=C(C2CC2)C=C1 P38877 [0,0,0,0,2,0|0,0,0]=2 251 B11R2.34 NC1=CC=C(C2CC2)N=C1 P42501 [0,0,0,0,2,0|1,0,0]=3 252 B11R2.34 NC1=CN=C(C2CC2)N=C1 L18124 [0,0,0,0,2,0|2,0,0]=4 253 B11R2.34 OC1=CC=C(C2CC2)C=C1 P42947 [0,0,0,0,2,0|1,0,0]=3 254 B11R2.352 NC1=CN(C2COC2)N=C1 G-7432 [0,0,0,0,2,0|2,0,0]=4 255 B13R2.64 C1=CC(OC2CCNC2)=CC=N1 P35024 [1,0,0,0,0,1|2,0,0]=4 256 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [1,0,0,0,0,1|2,0,0]=4 257 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [1,0,0,0,0,1|2,0,0]=4 258 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [1,0,0,0,0,1|2,0,0]=4 259 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [1,0,0,0,0,1|2,0,0]=4 260 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 O28741 [1,0,0,0,0,1|1,0,0]=3 261 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 O28826 [1,0,0,0,0,1|1,0,0]=3 262 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 O28815 [1,0,0,0,0,1|1,0,0]=3 263 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 P39333 [1,0,0,0,0,1|2,0,0]=4 264 B13R2.64 C1=CN=C(O[C@@H]2CCNC2)C=C1 O34302 [1,0,0,0,0,1|2,0,0]=4 265 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 O34304 [1,0,0,0,0,1|2,0,0]=4 266 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 P39561 [1,0,0,0,0,1|2,0,0]=4 267 B13R2.64 C1=CN=CC(O[C@@H]2CCNC2)=C1 P39288 [1,0,0,0,0,1|2,0,0]=4 268 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 P38794 [1,0,0,0,0,1|2,0,0]=4 269 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 Q58375 [1,0,0,0,0,1|1,0,0]=3 270 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 O32528 [1,0,0,0,0,1|1,0,0]=3 271 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 O32529 [1,0,0,0,0,1|1,0,0]=3 272 B15R2.29 BrC1=CC=C(OC2CCCCC2)C=C1 M23066 [0,0,0,0,0,2|2,0,0]=4 273 B15R2.29 BrC1=CC=C(OC2CCCNC2)C=C1 O28485 [0,0,0,0,0,2|2,0,0]=4 274 B15R2.29 BrC1=CC=C(OC2CCNCC2)C=C1 O28880 [0,0,0,0,0,2|2,0,0]=4 275 B15R2.29 BrC1=CC=C(OC2CCOCC2)C=C1 P39720 [0,0,0,0,0,2|1,0,0]=3 276 B15R2.29 CC1=CC=C(NC2CCOCC2)C=C1 P42512 [0,0,0,0,0,2|2,0,0]=4 277 B15R2.29 CC1=CC=C(OC2CCCNC2)C=C1 P36903 [0,0,0,0,0,2|2,0,0]=4 278 B15R2.29 CC1=CC=C(OC2CCNCC2)C=C1 P36808 [0,0,0,0,0,2|2,0,0]=4 279 B15R2.29 ClC1=CC=C(CC2COCCN2)C=C1 P35157 [0,0,0,0,0,2|2,0,0]=4 280 B15R2.29 ClC1=CC=C(OC2CCCNC2)C=C1 O28486 [0,0,0,0,0,2|2,0,0]=4 281 B15R2.29 ClC1=CC=C(OC2CCNCC2)C=C1 O32524 [0,0,0,0,0,2|2,0,0]=4 282 B15R2.29 FC1=CC=C(OC2CCCNC2)C=C1 O28745 [0,0,0,0,0,2|2,0,0]=4 283 B15R2.29 FC1=CC=C(OC2CCNCC2)C=C1 O28883 [0,0,0,0,0,2|2,0,0]=4 284 B15R2.29 NC1=CC=C(CN2CCOCC2)C=C1 P37758 [0,0,0,0,0,2|2,0,0]=4 285 B15R2.29 NC1=CC=C(OC2CCCCC2)C=C1 M23147 [0,0,0,0,0,2|1,0,0]=3 286 B15R2.29 NC1=CC=C(OC2CCOCC2)C=C1 P35096 [0,0,0,0,0,2|0,0,0]=2 287 B15R2.100 FC1=CC=C(OCC2CCNC2)C=C1 F-4736 [0,0,0,0,0,2|2,0,0]=4