0 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.6 CCCCCCC1=CC=CC(N)=C1 F18190 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.55 CCCCC[C@H]1CC(=O)C=C(O)C1 Y10179 [0,1,0,0,0,0|1,0,2]=4 22 B11R0.77 C=C[C@H](CCCCC)OC(C)=O D71009 [0,0,1,0,0,0|0,0,2]=3 23 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11170 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11171 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11305 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10478 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10480 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 28159 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.13 BrC1=CC([C@H]2CCNC2)=CC=C1 65768 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N10479 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N12897 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y10468 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 23431 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31645 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10969 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11221 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65765 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y10874 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11079 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 N11374 [0,0,0,1,0,0|2,0,1]=4 41 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y11469 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y13338 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 C73896 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 51213 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 C15554 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.4818 N[C@H]1CCCC2=CC=CC(F)=C21 Y10845 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.4820 BrC1=C2CCCCNC2=CC=C1 69218 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11951 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11952 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 67304 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 D81338 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y10359 [0,0,0,1,0,0|3,0,0]=4 53 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y12097 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 I11879 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N10533 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 N11392 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10726 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10727 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Cl)=C2 Y10728 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10625 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10731 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I11877 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N13115 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 I10881 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.5331 OC1=CC=CC(OCC2CC2)=C1 W19104 [0,0,0,1,0,0|2,0,1]=4 67 B11R1.27 CCCCCC1=CC=C(Br)S1 W19332 [0,0,0,0,1,0|1,1,0]=3 68 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|2,0,0]=4 74 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.567 NCCCCN1C(=O)C=CC1=O FD6045 [0,1,0,0,1,0|2,0,0]=4 89 B14R1.443 CCCCCCC1=CC(O)=CC(O)=C1 D93503 [0,2,0,0,0,0|1,0,1]=4 90 B14R1.47 CCCCCC1=CC(O)=CC(O)=C1C D93922 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.918 CCCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12265 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.918 CCCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13331 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.918 CCCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13337 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.918 CCCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12006 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.918 CCCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12043 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.918 CCCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13018 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12000 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12001 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12268 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12446 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12447 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12609 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13329 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.918 CCCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13335 [0,2,0,0,0,0|2,0,0]=4 105 B14R1.918 CCCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12170 [0,2,0,0,0,0|2,0,0]=4 106 B14R1.918 CCCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12171 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.918 CCCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12933 [0,2,0,0,0,0|2,0,0]=4 108 B14R1.918 CCCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12950 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.923 CCCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12676 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.923 CCCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12677 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.923 CCCC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12860 [0,2,0,0,0,0|2,0,0]=4 112 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 51056 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.24 O=C1C=CC2=C(CCNC2)N1 89007 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.24 O=C1C=CC2=C(CCNC2)N1 C76139 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [1,0,0,1,0,0|2,0,0]=4 132 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [1,0,0,1,0,0|2,0,0]=4 141 B14R2.21 BrC1=CC(C2CCNCC2)=CC=C1 54480 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.21 BrC1=CC(C2CCNCC2)=CC=C1 56933 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.21 BrC1=CC([C@@H]2CCCCN2)=CC=C1 Y11793 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.21 CC1=CC=CC(C2CCNCC2)=C1 59342 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.21 CC1=CC=CC([C@@H]2CCCCN2)=C1 Y11790 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.21 CC1=CC=CC([C@@H]2CCCCN2)=C1 Y11794 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.21 FC1=CC(C2CCNCC2)=CC=C1 58671 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.21 NC1=NC(C2CCNCC2)=CC=C1 C73858 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.21 OC1=CC(C2CCCCC2)=CC=C1 97838 [0,1,0,1,0,0|1,0,1]=4 150 B14R2.21 OC1=CC(C2CCNCC2)=CC=C1 F13613 [0,1,0,1,0,0|1,0,1]=4 151 B14R2.21 OC1=CC(N2CCCCC2)=CC=C1 35445 [0,1,0,1,0,0|1,0,1]=4 152 B14R2.716 NC1=CC=CC(OC2CCCC2)=C1 F20086 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.4471 NC1(C2=CC=CC(Br)=C2)CCCC1 91223 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.9059 N[C@@H](CC1=CC=CC(Cl)=C1)C2CC2 N14531 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 D95997 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [1,0,0,0,1,0|1,1,0]=4