0 B11R2.20 C1=CC=C2CC=CCC2=C1 AC-20980 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.20 C1=CC=C2COCCC2=C1 AC-5320 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.20 C1=CC=C2NCCCC2=C1 AC-2531 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.20 C1=CC=C2NCCNC2=C1 AC-5240 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.20 C1=CC=C2OCCNC2=C1 AC-22915 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.20 C1=CC=C2OCCOC2=C1 AC-16416 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.20 C1=NC=NC2=C1CNCC2 AC-29465 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.24 BrC1=CC=C2CCNCC2=C1 AC-9596 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC=C2COCCC2=C1 AC-25655 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC=C2OCCCC2=C1 AC-26725 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.24 CC1=CC=C2CCCCC2=N1 AC-19075 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.24 CC1CCC2=CC=CC=C2N1 AC-19074 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.24 ClC1=CC=C2CCNCC2=C1 AC-28292 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 AC-32013 [0,1,0,0,0,0|1,0,0]=2 14 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AC-17557 [0,1,0,0,0,0|2,0,0]=3 15 B12R2.24 NC1=CC2=C(C=C1)CCNC2 AC-7350 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.24 NC1=CC=C2CCCNC2=C1 AC-1372 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 AC-29384 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-27927 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.24 OC1=CC2=C(C=C1)CCCC2 AC-24020 [0,1,0,0,0,0|2,0,0]=3 20 B12R2.24 OC1=CC2=C(C=C1)CCNC2 AC-9597 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.24 OC1=CC2=C(C=C1)CNCC2 AC-28820 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.24 OC1=CC=C2CCCNC2=C1 AC-518 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.24 OC1=CC=C2NCCCC2=C1 AC-9585 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.1081 BrC1=CC=CC2=C1CCCC2 AC-31672 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.1081 CC1=C2NCCCC2=CC=C1 AC-26507 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.1081 CC1CCNC2=C1C=CC=C2 AC-9369 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC-8271 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.1081 ClC1=C2CNCCC2=CC=C1 AC-28301 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.1081 FC1=CC=CC2=C1CCNC2 AC-28300 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.1081 NC1=C2CCCCC2=CC=C1 AC-5737 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.1081 NC1=CC=CC2=C1CCCC2 AC-5738 [0,1,0,0,0,0|2,0,0]=3 32 B12R2.1081 NC1CCCC2=CC=CC=C21 AC-5739 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.1081 NC1CCCC2=CC=CC=C21 AC-5740 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.1081 NC1CCCC2=CC=CN=C21 AC-28821 [0,1,0,0,0,0|1,0,0]=2 35 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC-29328 [0,1,0,0,0,0|3,0,0]=4 36 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AC-26800 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 AC-29327 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AC-26799 [0,1,0,0,0,0|2,0,0]=3 39 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC-29326 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-6869 [0,1,0,0,0,0|2,0,1]=4 41 B12R2.1081 O=C1CCCC2=CC=CN=C12 AC-346 [0,1,0,0,0,0|1,0,1]=3 42 B12R2.1081 OC1=C2NCCCC2=CC=C1 AC-9571 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.1081 OC1CCCC2=CC=CN=C21 AC-780 [0,1,0,0,0,0|1,0,0]=2 44 B12R2.1081 OC1CCOC2=C1N=CC=C2 AC-22821 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.4 CCOC1=NC=CC=C1Br AC-33439 [0,0,1,0,0,0|3,0,0]=4 46 B10R1.4 CCOC1=NC=CC=C1I AC-33270 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.4 CCOC1=NC=CN=C1C AC-11167 [0,0,1,0,0,0|1,0,0]=2 48 B10R1.4 NC1=NC=CC=C1CCO AC-28212 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.17 CCCCC1=CC=CN=C1 AC-7560 [0,0,1,0,0,0|1,0,0]=2 50 B10R1.17 CCCCC1=NC=CC=C1 AC-7561 [0,0,1,0,0,0|1,0,0]=2 51 B10R1.17 CCNCC1=CC=CN=C1 AC-7360 [0,0,1,0,0,0|2,0,0]=3 52 B10R1.17 CNCCC1=CC=CC=C1 AC-2677 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.17 CNCCC1=CC=CC=N1 AC-23916 [0,0,1,0,0,0|2,0,0]=3 54 B10R1.17 NCCOC1=NC=CC=C1 AC-29360 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.17 OCCCC1=CC=CC=C1 AC-14708 [0,0,1,0,0,0|3,0,0]=4 56 B10R1.20 CCC1=NC=CN=C1CC AC-16406 [0,0,1,0,0,0|0,0,0]=1 57 B10R1.20 CNC1=NC=CC=C1CO AC-6001 [0,0,1,0,0,0|3,0,0]=4 58 B10R1.20 COC1=C(CN)C=CC=N1 AC-29631 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.20 COC1=CC=CN=C1OC AC-9468 [0,0,1,0,0,0|3,0,0]=4 60 B10R1.20 COC1=NC=CC=C1CO AC-23282 [0,0,1,0,0,0|3,0,0]=4 61 B10R2.7 C1=CC2=C(C=C1)CNC2 AC-1204 [0,0,0,0,1,0|3,0,0]=4 62 B10R2.7 C1=CC2=C(C=C1)CNC2 AC-20744 [0,0,0,0,1,0|3,0,0]=4 63 B10R2.7 C1=CC2=C(CCNC2)S1 AC-1534 [0,0,0,0,1,0|2,0,0]=3 64 B10R2.7 C1=CC2=C(CCNC2)S1 AC-28795 [0,0,0,0,1,0|2,0,0]=3 65 B10R2.7 C1=CC2=C(CNC2)N=C1 AC-4324 [0,0,0,0,1,0|2,0,0]=3 66 B10R2.7 C1=CC2=C(CNCC2)S1 AC-4317 [0,0,0,0,1,0|2,0,0]=3 67 B10R2.7 C1=CC=C2NCCC2=C1 AC-531 [0,0,0,0,1,0|3,0,0]=4 68 B10R2.7 C1=CC=C2OCCC2=C1 AC-7075 [0,0,0,0,1,0|3,0,0]=4 69 B10R2.7 C1=CN2CCCCC2=N1 AC-22766 [0,0,0,0,1,0|1,0,0]=2 70 B10R2.7 C1=CN=C2CCCC2=C1 AC-2007 [0,0,0,0,1,0|1,0,0]=2 71 B10R2.7 C1=CN=C2CNCC2=C1 AC-2807 [0,0,0,0,1,0|2,0,0]=3 72 B10R2.7 C1=CN=C2NCCC2=C1 AC-7240 [0,0,0,0,1,0|2,0,0]=3 73 B10R2.7 C1=NN2CCNCC2=C1 AC-5760 [0,0,0,0,1,0|2,0,0]=3 74 B10R2.7 C1=NN=C2CNCCN12 AC-5751 [0,0,0,0,1,0|3,0,0]=4 75 B10R2.7 C1=NNC2=C1CNCC2 AC-5201 [0,0,0,0,1,0|2,0,1]=4 76 B12R2.41 C1=CC2=C(C=C1)NCCNC2 AC-6564 [0,0,0,0,0,1|3,0,0]=4 77 B12R2.41 C1=CC=C2NCCCCC2=C1 AC-25813 [0,0,0,0,0,1|2,0,0]=3 78 B9R1.8 BrCCC1=NC=CC=C1 AC-20552 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.8 BrCCC1=NC=CC=C1 AC-34188 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.8 CCOC1=NC=CC=C1 AC-23102 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.8 CCOC1=NC=CN=C1 AC-16589 [1,0,1,0,0,0|1,0,0]=3 82 B9R1.8 CNCC1=CC=CN=C1 AC-2640 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.8 ClCCC1=NC=CC=C1 AC-20553 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.8 NCCC1=CC=CC=N1 AC-15573 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.8 NCCC1=CC=CN=C1 AC-6717 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.8 OCCC1=NC=CC=C1 AC-4672 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.15 CC1=CC=CN=C1CO AC-14306 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.15 CC1=NC=CC=C1CO AC-9581 [1,0,1,0,0,0|2,0,0]=4 89 B9R1.15 CCC1=C(C)C=CC=C1 AC-6953 [1,0,1,0,0,0|2,0,0]=4 90 B9R1.15 CCC1=NC=CN=C1C AC-16592 [1,0,1,0,0,0|0,0,0]=2 91 B9R1.15 CCC1=NC=CN=C1Cl AC-16361 [1,0,1,0,0,0|1,0,0]=3 92 B9R1.15 COC1=NC=CC=C1C AC-14266 [1,0,1,0,0,0|2,0,0]=4 93 B9R1.15 COC1=NC=CN=C1C AC-16642 [1,0,1,0,0,0|1,0,0]=3 94 B9R1.15 COC1=NC=CN=C1Cl AC-8789 [1,0,1,0,0,0|2,0,0]=4 95 B9R1.15 COC1=NC=CN=C1I AC-23252 [1,0,1,0,0,0|2,0,0]=4 96 B9R1.15 CSC1=NC=CN=C1C AC-11166 [1,0,1,0,0,0|1,0,0]=3 97 B9R1.15 ClCC1=C(Cl)N=CC=N1 AC-26963 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.15 NCC1=NC=CN=C1Cl AC-26966 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.15 NCC1=NC=CN=C1Cl AC-27431 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.15 NCC1=NC=CN=C1Cl AC-31346 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.41 CCCC1=CC=CN=C1CO AC-17705 [0,1,1,0,0,0|1,0,0]=3 102 B11R1.222 COC(=O)C1=NC=CN=C1C AC-33818 [0,1,1,0,0,0|1,0,1]=4 103 B11R1.1 CCCCC1=CC=C(Br)C=C1 AC-14645 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.1 CCCCC1=CC=C(N)C=C1 AC-11849 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.1 CCCCC1=CN=C(Cl)N=C1 AC-22792 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.16 CCOC(=O)C1=NC=CN=C1 AC-28144 [0,1,1,0,0,0|1,0,1]=4 107 B11R1.28 BrCCCCC1=CC=CC=C1 AC-16206 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.28 OCCCCC1=CC=CC=C1 AC-23988 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.28 OCCCNC1=NC=CC=C1 AC-17666 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.91 CC(N)CCC1=CC=CC=C1 AC-8354 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.37 CCC1=NC=C(C)N=C1CC AC-16405 [0,1,1,0,0,0|0,0,0]=2 112 B11R2.1 ClC1CCC2=CC=CC=C21 AC-3552 [0,1,0,0,1,0|2,0,0]=4 113 B11R2.1 NC1CCC2=C1C=CC=C2 AC-3212 [0,1,0,0,1,0|2,0,0]=4 114 B11R2.1 NC1CCC2=CC=CC=C21 AC-4420 [0,1,0,0,1,0|2,0,0]=4 115 B11R2.1 NC1CCC2=CC=CC=C21 AC-9026 [0,1,0,0,1,0|2,0,0]=4 116 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AC-5905 [0,1,0,0,1,0|2,0,0]=4 117 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 AC-6132 [0,1,0,0,1,0|2,0,0]=4 118 B11R2.1 N[C@H]1CCC2=CC=CC=C21 AC-5906 [0,1,0,0,1,0|2,0,0]=4 119 B11R2.10 NC1=NC2=C(CCCC2)S1 AC-24354 [0,1,0,0,1,0|1,0,0]=3 120 B11R2.10 NC1=NC2=C(CNCC2)S1 AC-7184 [0,1,0,0,1,0|2,0,0]=4 121 B11R2.10 NC1=NC2=C(COCC2)S1 AC-27710 [0,1,0,0,1,0|2,0,0]=4 122 B11R2.10 NC1CC2=C(C=CC=C2)C1 AC-4428 [0,1,0,0,1,0|2,0,0]=4 123 B11R2.10 NC1CC2=CC=CC=C2C1 AC-19107 [0,1,0,0,1,0|2,0,0]=4 124 B11R2.10 OC1CC2=CC=CC=C2C1 AC-19105 [0,1,0,0,1,0|2,0,0]=4 125 B11R2.36 BrC1=CN=C2NCCC2=C1 AC-2787 [0,1,0,0,1,0|2,0,0]=4 126 B11R2.36 NC1=CC2=C(C=C1)CCC2 AC-4784 [0,1,0,0,1,0|2,0,0]=4 127 B11R2.36 OC1=CC2=C(C=C1)CCC2 AC-4785 [0,1,0,0,1,0|2,0,0]=4 128 B11R2.106 O=C1CCCC2=C1C=CO2 AC-30248 [0,1,0,0,1,0|1,0,1]=4 129 B11R2.106 O=C1CCCC2=C1C=CS2 AC-3289 [0,1,0,0,1,0|1,0,1]=4 130 B13R2.3729 NC1=CC2=C(C=C1)CCNCC2 AC-13493 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.155 NC1CCC2=CC=C(F)C=C2C1 AC-31653 [0,2,0,0,0,0|2,0,0]=4 132 B13R2.162 NC1=C2CC(O)CCC2=CC=C1 AC-26385 [0,2,0,0,0,0|2,0,0]=4 133 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 AC-26907 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 AC-27720 [0,2,0,0,0,0|2,0,0]=4 135 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 AC-37180 [0,2,0,0,0,0|1,0,1]=4 136 B9R1.33 CC1=C(CCCl)SC=N1 AC-33175 [0,0,1,0,1,0|2,0,0]=4 137 B9R1.33 CC1=C(CCO)SC=N1 AC-7852 [0,0,1,0,1,0|2,0,0]=4 138 B9R1.33 CC1=NC=CN1CCO AC-11865 [0,0,1,0,1,0|2,0,0]=4 139 B9R1.12 CCCCC1=CSC=C1 AC-4930 [0,0,1,0,1,0|1,0,0]=3 140 B9R1.12 CCCCC1=NC=CN1 AC-8720 [0,0,1,0,1,0|0,0,1]=3 141 B9R1.12 CCCCN1C=NN=C1 AC-15238 [0,0,1,0,1,0|2,0,0]=4 142 B9R1.12 NCCCN1C=CN=C1 AC-16731 [0,0,1,0,1,0|2,0,0]=4 143 B9R1.12 OCCCC1=CNC=N1 AC-25678 [0,0,1,0,1,0|1,0,1]=4