0 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.28 NCCSSC1=NC=CC=C1 29042 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 NCCNC1=NC=CC=N1 C72507 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.1 CCCCOC1=CN=C(Br)C=C1 A12893 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.1 COCCOC1=CC=C(O)C=C1 27038 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.1 COCCOC1=NC=C(N)N=C1 27693 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.1 FC1=CC=C(OCCCCl)C=C1 D77782 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.1 NCCCNC1=NC=C(Br)C=C1 52010 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.1 OCCCOC1=CC=C(Br)C=C1 88164 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.1 OCCNCC1=CC=C(F)C=C1 C80019 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.8 N#CCCCOC1=CC=CC=C1 20767 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.8 OCCCC#CC1=CC=CC=C1 T72149 [0,1,0,0,0,0|1,0,2]=4 45 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.28 COCCOC1=NC=CC(Br)=C1 C72171 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.28 COCCOC1=NC=CC(N)=C1 W16004 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 W10393 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.267 FC1=C(OCCCBr)C=CC=C1 F50437 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [0,1,0,0,0,0|2,0,0]=3 67 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.2 C1=CC([C@H]2CCNC2)=CC=N1 65604 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,0,0,1,0,0|2,0,0]=3 72 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,0,0,1,0,0|2,0,0]=3 73 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,0,0,1,0,0|2,0,0]=3 74 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,0,0,1,0,0|2,0,0]=3 75 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,0,0,1,0,0|2,0,0]=3 77 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 O10472 [0,0,0,1,0,0|2,0,1]=4 78 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,0,0,1,0,0|2,0,1]=4 79 B12R2.2 C1=CN=C(N2CCCC2)N=C1 C73662 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [0,0,0,1,0,0|1,0,0]=2 81 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [0,0,0,1,0,0|1,0,0]=2 82 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [0,0,0,1,0,0|1,0,0]=2 83 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 AR1448 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,0|2,0,0]=3 92 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,0,0,1,0,0|2,0,0]=3 94 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [0,0,0,1,0,0|2,0,0]=3 97 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [0,0,0,1,0,0|2,0,0]=3 98 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.41 C1=CC2=C(C=C1)SCCNC2 52662 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.1081 CN1CCNC2=NC=CC=C21 D80285 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.1081 N[C@H]1CCCC2=NC=CN=C21 O11320 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [0,0,0,1,0,0|3,0,0]=4 133 B10R1.21 CCNCCN1C=CN=C1 31914 [0,0,0,0,1,0|3,0,0]=4 134 B9R1.8 CNCC1=NC=CC=N1 W11490 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 NCCC1=NC=CC=N1 P15951 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 NCCC1=NC=CN=C1 AR1061 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 NCCC1=NC=NC=C1 P18517 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 NNCC1=NC=CC=C1 78929 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 OCCC1=NC=CC=N1 C14218 [2,0,0,0,0,0|2,0,0]=4 140 B11R1.1 CCCNC1=NN=C(Cl)C=C1 A12954 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.1 NCCNC1=NC=C(Br)C=C1 52009 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.1 OCCNC1=NC=C(F)C=C1 W16644 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [1,1,0,0,0,0|0,0,1]=3 153 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [1,1,0,0,0,0|0,0,0]=2 171 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.24 CCCOC1=NC(C)=CN=C1 C76147 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.4 CCCCCCC1=CC=CN1 D93114 [0,1,0,0,1,0|0,0,1]=3 183 B11R1.4 CCCCCCC1=CNN=C1 F17298 [0,1,0,0,1,0|2,0,0]=4 184 B11R1.4 CCCCCCN1C=CN=C1 D70731 [0,1,0,0,1,0|2,0,0]=4 185 B11R1.27 CCCCCC1=CC=C(Br)S1 W19332 [0,1,0,0,1,0|1,0,0]=3 186 B11R1.27 ClC1=CN(CCCCBr)N=C1 W13443 [0,1,0,0,1,0|2,0,0]=4 187 B11R1.29 CNCC[C@H](O)C1=CC=CS1 C71538 [0,1,0,0,1,0|2,0,0]=4 188 B13R1.9 ClC1=CC=C(OCCCCBr)C=C1 97806 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.9 NCCCCNC1=NC=C(Br)C=C1 52012 [0,2,0,0,0,0|1,0,0]=3 190 B13R1.17 O[C@@H](CCCCl)C1=CC=C(Br)C=C1 88329 [0,2,0,0,0,0|2,0,0]=4 191 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 12065 [0,2,0,0,0,0|1,0,1]=4 192 B13R1.19 CCOC(=O)CC1=NC=C(Cl)C=C1 89137 [0,2,0,0,0,0|1,0,1]=4 193 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 52927 [0,2,0,0,0,0|1,0,1]=4 194 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 P13442 [0,2,0,0,0,0|1,0,1]=4 195 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 P12845 [0,2,0,0,0,0|1,0,1]=4 196 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 37596 [0,2,0,0,0,0|1,0,1]=4 197 B13R1.369 CCCCOC1=C(Cl)C=C(Br)C=C1 D94467 [0,2,0,0,0,0|2,0,0]=4 198 B13R1.371 CCNCCC1=CC=C(OC)C=C1 F20083 [0,2,0,0,0,0|2,0,0]=4 199 B13R1.6 CCCCCCC1=CC=CC(N)=C1 F18190 [0,2,0,0,0,0|1,0,0]=3 200 B13R1.6 COCCCNC1=CC=NC(Cl)=N1 W19211 [0,2,0,0,0,0|2,0,0]=4 201 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [0,2,0,0,0,0|1,0,1]=4 202 B13R1.28 CCNCCNCC1=CC=CC=C1 AB2653 [0,2,0,0,0,0|1,0,0]=3 203 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [0,2,0,0,0,0|0,0,1]=3 204 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [0,2,0,0,0,0|1,0,1]=4 205 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 D97314 [0,2,0,0,0,0|1,0,0]=3 206 B13R1.337 CC(=O)CCNCC1=CC=CC=C1 50047 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [0,2,0,0,0,0|1,0,1]=4 208 B13R1.718 C[C@@H](CN)CNCC1=CC=CC=C1 T70173 [0,2,0,0,0,0|2,0,0]=4 209 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 36094 [0,2,0,0,0,0|2,0,0]=4 210 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 W15207 [0,2,0,0,0,0|2,0,0]=4 211 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10194 [0,2,0,0,0,0|2,0,0]=4 212 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 11730 [0,2,0,0,0,0|2,0,0]=4 213 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 N11169 [0,2,0,0,0,0|1,0,1]=4 214 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [0,2,0,0,0,0|1,0,1]=4 215 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [0,2,0,0,0,0|1,0,1]=4 216 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=N1 C77298 [0,2,0,0,0,0|1,0,1]=4 217 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 24693 [0,2,0,0,0,0|1,0,1]=4 218 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 F31216 [0,2,0,0,0,0|1,0,1]=4 219 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [0,2,0,0,0,0|1,0,1]=4 220 B13R1.47 CCOC(=O)[C@H](Br)C1=NC=CC=C1 93370 [0,2,0,0,0,0|1,0,1]=4 221 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 32465 [0,2,0,0,0,0|1,0,1]=4 222 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 61481 [0,2,0,0,0,0|1,0,1]=4 223 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [0,2,0,0,0,0|1,0,1]=4 224 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=N1 CK2612 [0,2,0,0,0,0|1,0,1]=4 226 B13R1.470 CCOC(=O)CC1=C(I)C=CC=N1 D93367 [0,2,0,0,0,0|1,0,1]=4 227 B13R1.470 CCOC(=O)CC1=NC=CC=C1N F18231 [0,2,0,0,0,0|1,0,1]=4 228 B13R1.84 CCCNCC1=C(OC)C=CC=C1 C78481 [0,2,0,0,0,0|2,0,0]=4 229 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|2,0,0]=4 230 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|2,0,0]=4 231 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|2,0,0]=4 232 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [1,0,0,1,0,0|1,0,0]=3 233 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [1,0,0,1,0,0|1,0,0]=3 234 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|2,0,0]=4 235 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [1,0,0,1,0,0|1,0,0]=3 236 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [1,0,0,1,0,0|1,0,0]=3 237 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [1,0,0,1,0,0|1,0,0]=3 238 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [1,0,0,1,0,0|2,0,0]=4 239 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|2,0,0]=4 240 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|2,0,0]=4 241 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|2,0,0]=4 242 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|2,0,0]=4 243 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|2,0,0]=4 244 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|2,0,0]=4 245 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [1,0,0,1,0,0|1,0,0]=3 246 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|1,0,0]=3 247 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,1,0,0|1,0,0]=3 248 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [1,0,0,1,0,0|2,0,0]=4 249 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [1,0,0,1,0,0|2,0,0]=4 250 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [1,0,0,1,0,0|1,0,0]=3 251 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [1,0,0,1,0,0|2,0,0]=4 253 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [1,0,0,1,0,0|2,0,0]=4 256 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|2,0,0]=4 257 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|2,0,0]=4 258 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|2,0,0]=4 259 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [1,0,0,1,0,0|1,0,0]=3 260 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.2 C1=CC([C@@H]2CCCN2)=CO1 Y11475 [0,0,0,1,1,0|2,0,0]=4 262 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N12240 [0,0,0,1,1,0|2,0,0]=4 263 B11R2.2 C1=NNC=C1C2CCCC2 F17234 [0,0,0,1,1,0|2,0,0]=4 264 B11R2.106 O[C@H]1CCCC2=C1C=CO2 D79428 [0,0,0,1,1,0|2,0,0]=4 265 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59894 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59895 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10526 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10902 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.12 BrC1=CC=C([C@@H]2CCCO2)C=C1 88342 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 28112 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.12 BrC1=CC=C([C@H]2CCNC2)C=C1 65770 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.12 BrC1=CN=C(C2OCCO2)C=C1 D84530 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.12 BrC1=CN=C([C@@H]2CCCN2)C=C1 N10494 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.12 BrC1=CN=C([C@@H]2CCCN2)C=C1 Y10775 [0,1,0,1,0,0|1,0,0]=3 275 B13R2.12 BrC1=NC=C(N2CCCC2)N=C1 C71020 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 C76649 [0,1,0,1,0,0|1,0,0]=3 277 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 59899 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.12 CC1=CC=C([C@H]2CCNC2)C=C1 N11157 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 59903 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 59904 [0,1,0,1,0,0|2,0,0]=4 281 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 Y10663 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 Y10903 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 65723 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 65773 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.12 ClC1=CC=C([C@H]2CCNC2)C=C1 I11547 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59900 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59901 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59951 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 Y10208 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.12 FC1=CC=C([C@H]2CCNC2)C=C1 AR3926 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.12 FC1=CN=C([C@@H]2CCCN2)C=C1 N16950 [0,1,0,1,0,0|1,0,0]=3 292 B13R2.12 FC1=CN=C([C@@H]2CCCN2)C=C1 Y11082 [0,1,0,1,0,0|1,0,0]=3 293 B13R2.12 FC1=CN=C([C@@H]2CCCN2)C=C1 Y11458 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 24304 [0,1,0,1,0,0|1,0,0]=3 295 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 C74362 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 C90180 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 Y10736 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 D96567 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N F16916 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11947 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11948 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N10490 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N13165 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 26005 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.162 CN1CCCC2=C1C=C(O)C=C2 D83822 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.162 C[C@@H]1NCCC2=C1C=C(Br)C=C2 F30913 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.162 C[C@H]1CCNC2=C1C=C(Cl)C=C2 W16322 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.162 C[C@H]1CNCC2=C1C=C(Cl)C=C2 AC8238 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 33471 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 F16987 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 I10660 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 N11010 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y10698 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.162 N[C@H]1CCCC2=C1C=C(Br)C=C2 Y11204 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 74742 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 Y13381 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 I11949 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13163 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.162 O=C1CCCC2=C1C=C(O)C=N2 F18586 [0,1,0,1,0,0|1,0,1]=4 320 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C72148 [0,1,0,1,0,0|1,0,1]=4 321 B13R2.527 ClC1=CC=C(NCC2CC2)C=C1 N10007 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.527 FC1=CC=C(OCC2CC2)C=C1 W10912 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.527 NC1=CC=C(CNC2CC2)C=C1 30532 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.527 OC1=CC=C(OCC2CC2)C=C1 W15964 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.1069 BrC1=CC=C(CN2CCC2)C=C1 32174 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.1069 BrC1=CC=C(OC2CCC2)C=C1 S11226 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.1069 BrC1=CN=C(OC2CCC2)N=C1 AC3511 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 C73896 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 51213 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 C15554 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.1 NCC[C@H]1CNC2=C1C=CC=C2 26250 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.3 C1=CC(C2CCNCC2)=NC=N1 F15209 [0,1,0,1,0,0|1,0,0]=3 333 B13R2.3 C1=CC(N2CCNCC2)=NC=N1 25260 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59907 [0,1,0,1,0,0|1,0,0]=3 335 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59908 [0,1,0,1,0,0|1,0,0]=3 336 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59949 [0,1,0,1,0,0|1,0,0]=3 337 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 N14324 [0,1,0,1,0,0|1,0,0]=3 338 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [0,1,0,1,0,0|2,0,0]=4 340 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 AR1250 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.3 C1=CC=C([C@@H]2CSCCN2)C=C1 27200 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [0,1,0,1,0,0|1,0,0]=3 343 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [0,1,0,1,0,0|1,0,0]=3 344 B13R2.3 C1=CN=C(C2CCNCC2)C=C1 F30671 [0,1,0,1,0,0|0,0,0]=2 345 B13R2.3 C1=CN=C(C2CCNCC2)N=C1 26645 [0,1,0,1,0,0|1,0,0]=3 346 B13R2.3 C1=CN=C(N2CCOCC2)N=C1 C75684 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N11114 [0,1,0,1,0,0|0,0,0]=2 348 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 N11115 [0,1,0,1,0,0|0,0,0]=2 349 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 C71090 [0,1,0,1,0,0|1,0,0]=3 350 B13R2.3 C1=CN=C([C@@H]2COCCN2)C=C1 Y10217 [0,1,0,1,0,0|1,0,0]=3 351 B13R2.3 C1=CN=C([C@H]2CCCNC2)C=C1 AB9935 [0,1,0,1,0,0|0,0,0]=2 352 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 E70402 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 F30672 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 F16894 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y10910 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11048 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11078 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 Y11585 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,1,0,1,0,0|1,0,0]=3 360 B13R2.15 OC1CCCC1C2=CC=CC=C2 78687 [0,1,0,1,0,0|1,0,0]=3 361 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 P14522 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,1,0,1,0,0|1,0,0]=3 364 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,1,0,1,0,0|1,0,0]=3 365 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C77876 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C78595 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 20293 [0,1,0,1,0,0|1,0,0]=3 368 B13R2.64 C1=CN=CC(C[C@H]2CCCN2)=C1 AR1097 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 AR1415 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 D80351 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [0,1,0,1,0,0|1,0,0]=3 372 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [0,1,0,1,0,0|1,0,1]=4 374 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 C74345 [0,1,0,1,0,0|1,0,0]=3 375 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19863 [0,1,0,1,0,0|1,0,0]=3 376 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 P19864 [0,1,0,1,0,0|1,0,0]=3 377 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 F13198 [0,1,0,1,0,0|1,0,1]=4 378 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 AB12161 [0,1,0,1,0,0|1,0,0]=3 379 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 C73722 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 D84539 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 S11057 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.5252 N[C@H]1CCCCC2=C1C=CC=C2 20645 [0,1,0,1,0,0|1,0,0]=3 383 B13R2.5252 N[C@H]1CCCOC2=C1C=CC=C2 Y10940 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.5252 O[C@H]1CCCOC2=C1C=CC=C2 A12238 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,1,0,1,0,0|1,0,0]=3 386 B13R2.10 N[C@H]1CCN(C2=NC=CC=N2)C1 W10799 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.10 N[C@H]1CCN(C2=NC=NC=C2)C1 P18003 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,1,0,1,0,0|1,0,1]=4 389 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,1,0,1,0,0|1,0,1]=4 390 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11170 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11171 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11305 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10478 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10480 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 28159 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 65768 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.13 ClC1=CC(N2CCCC2)=NC=C1 79211 [0,1,0,1,0,0|1,0,0]=3 402 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N10479 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N12897 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y10468 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.13 ClC1=NC(N2CCCC2)=NC=C1 52541 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 23431 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31645 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10969 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11221 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65765 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.13 NC1=CC(N2CCCC2)=NC=C1 F20074 [0,1,0,1,0,0|1,0,0]=3 412 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y10874 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11079 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 N11374 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y11469 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y13338 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.3021 BrC1=CC(OC2COC2)=NC=C1 P20847 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.4818 N[C@H]1CCCC2=CC=CC(F)=C21 Y10845 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11951 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11952 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 67304 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 D81338 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y10359 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y12097 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 I11879 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N10533 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N11392 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10726 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10727 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10728 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10625 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10731 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I11877 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N13115 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 I10881 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.5331 OC1=CC=CC(OCC2CC2)=C1 W19104 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.223 CC1(C2=NC=CC=C2)OCCO1 AB3955 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 72374 [0,1,0,1,0,0|1,0,1]=4 440 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10504 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10410 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10411 [0,1,0,1,0,0|1,0,0]=3 443 B13R2.26 COC[C@H]1CC2=C(C=CC=C2)N1 20875 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,1,0,1,0,0|1,0,0]=3 445 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 Y10930 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,1,0,1,0,0|1,0,1]=4 447 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,1,0,1,0,0|1,0,1]=4 449 B13R2.221 NC1(CC2=CC=CC=C2)COC1 P15365 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.221 OC1(CC2=NC=CC=C2)CNC1 D79145 [0,1,0,1,0,0|1,0,0]=3 451 B13R2.423 O=C(Cl)[C@H]1C[C@@H]1C2=NC=CC=C2 AT21498 [0,1,0,1,0,0|1,0,1]=4 452 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 Y10094 [0,1,0,1,0,0|1,0,1]=4 453 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 91719 [0,1,0,1,0,0|1,0,1]=4 454 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=NC=CC=C2 AT22087 [0,1,0,1,0,0|1,0,1]=4 455 B13R2.3122 CC1(C)CCNC2=C1C=CC=C2 W18201 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11180 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11181 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11214 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11215 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 28293 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 N10931 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 AR1046 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 I11373 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10470 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10768 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.18 CC1=CC=CN=C1[C@@H]2CCCN2 Y10216 [0,1,0,1,0,0|1,0,0]=3 467 B13R2.18 CC1=CC=CN=C1[C@@H]2CCCN2 Y12433 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 AB1344 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16861 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16959 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11034 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11068 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 33974 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11184 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11185 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11216 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11217 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C14895 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 N11372 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11006 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11007 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11342 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y13380 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16968 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10659 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10755 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y10699 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y11052 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10392 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10723 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10724 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10818 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10819 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N10491 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N11008 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10882 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10920 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y11819 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y12018 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.342 O[C@H]1CCCC2=C(Br)C=CC=C21 32335 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.3587 NC1=C(OCC2CC2)C=CC=C1 F21206 [0,1,0,1,0,0|2,0,0]=4 502 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 D72047 [0,0,0,2,0,0|2,0,0]=4 503 B13R3.2262 C1=CC2=C(C=C1)C3(CC3)CN2 84867 [0,0,0,2,0,0|2,0,0]=4 504 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,2,0,0|2,0,0]=4 505 B9R1.12 CCNCC1=CC=CO1 C77903 [1,0,0,0,1,0|2,0,0]=4 506 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|2,0,0]=4 507 B9R1.12 ClCCCN1C=CC=N1 72556 [1,0,0,0,1,0|2,0,0]=4 508 B9R1.12 NCCCC1=NC=CN1 F10427 [1,0,0,0,1,0|2,0,0]=4 509 B9R1.12 OCCCC1=CNC=N1 12540 [1,0,0,0,1,0|2,0,0]=4 510 B9R1.12 OCCCC1=CSC=C1 32572 [1,0,0,0,1,0|2,0,0]=4