0 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.354 C=C[C@H](N)C1=C(C)C=CC(F)=C1 Y12317 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.354 C=C[C@H](N)C1=C(C)C=CC(F)=C1 Y12318 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12148 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12149 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.354 CC1=CC([C@@H](N)CO)=C(F)C=C1 D96394 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12137 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12138 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12488 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12489 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12998 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14074 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14075 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14292 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 Y13969 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14076 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14077 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12158 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13827 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13828 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y14300 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.24 BrC1=CN=C2CNCCC2=C1 P11645 [0,0,0,1,0,0|2,0,0]=3 31 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 SC4247 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 ClC1=NC2=C(C=C1)COCC2 83359 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.24 ClC1=NC=C2CCCCC2=C1 77586 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.24 ClC1=NC=C2CNCCC2=C1 AC3838 [0,0,0,1,0,0|2,0,0]=3 36 B12R2.24 O=C1C=C2CCCCC2=CN1 89637 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 OC1=NC=C2CNCCC2=C1 66263 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.1316 NC1=CC(C2CC2)=C(Cl)C=C1 AT14313 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.8 NNCC1=CC=NC=C1 78931 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.34 CCCC1=CC(O)=CC(O)=C1 W19028 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.189 NCC1=CC=CC(CCO)=C1 O10460 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.8 CC1=CC(C#N)=C(C)C(N)=C1 C77067 [1,1,0,0,0,0|0,0,2]=4 56 B11R1.37 COC1=C(CO)C=CC(N)=C1 D77124 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.37 COC1=NC=C(Cl)C=C1CN 79399 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.37 CSC1=CC(C)=CN=C1CCl 79441 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.167 CC(C)C1=C(N)C=CC(F)=C1 W13840 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11917 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.167 CC1=C([C@H](C)N)C=C(F)C=C1 Y11918 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12486 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12487 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.167 C[C@H](N)C1=C(N)C=CC(F)=C1 Y12997 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 52372 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 Y13678 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.277 CCC1=C(Br)C=C(F)C(O)=C1 70403 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.897 CC1=C([C@@H](N)C(C)C)C=C(F)C=C1 Y12143 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.897 CC1=C([C@@H](N)C(C)C)C=C(F)C=C1 Y12144 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.446 C=CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12881 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.446 C=CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12912 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.446 C=CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13267 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.446 C=CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13290 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12139 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12140 [0,2,0,0,0,0|2,0,0]=4 76 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [1,0,0,1,0,0|1,0,0]=3 77 B11R2.106 BrC1=C2CCNC2=CN=C1 P18819 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [1,0,0,1,0,0|2,0,0]=4 79 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.155 N[C@H]1CCC2=C(C=C(Cl)C=C2)C1 20168 [0,1,0,1,0,0|1,0,0]=3 82 B13R2.611 COC1=C2OCCC2=C(Br)C=C1 D96686 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.3729 BrC1=CC2=C(C=C1)CNCCC2 51224 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.3729 FC1=CC2=C(C=C1)CNCCC2 D84084 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.3729 OC1=CC2=C(C=C1)CNCCC2 51207 [0,1,0,1,0,0|1,0,0]=3 86 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 N11394 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 Y11140 [0,1,0,1,0,0|1,0,0]=3 88 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCO2 Y14569 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11524 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 Y11547 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13738 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 Y13739 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.57 C#CC1=CC2=C(C=C1)CCCC2 C12341 [0,1,0,1,0,0|1,0,1]=4 94 B13R2.57 CCC1=CC2=C(C=C1)CCCN2 Y14327 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.57 CCC1=CC2=C(C=C1)NCCC2 Y13908 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.57 COC1=NC2=C(C=C1)CNCC2 89006 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.57 COC1=NC=C2CNCCC2=C1 66262 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.57 O=CC1=CC2=C(C=C1)CNCC2 72318 [0,1,0,1,0,0|0,0,1]=3 99 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 P17979 [0,1,0,1,0,0|1,0,0]=3 100 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 P20023 [0,1,0,1,0,0|1,0,0]=3 101 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 I10623 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.162 N[C@H]1CCCC2=C1C=C(Cl)C=C2 I11950 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y13854 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.162 N[C@H]1CCCC2=C1C=C(O)C=C2 Y14596 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(F)=C21 N10996 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(F)=C21 Y11020 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.371 NC1=C2NCCCC2=C(F)C=C1 P20146 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.32 CC1=CC=C2CCCNC2=C1N 74750 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.369 CC1=C(Br)C=C2CCNCC2=C1 P20695 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.369 ClC1=C(Cl)C=C2CNCCC2=C1 C76325 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.22 CC1=NC(C)=C(CN)O1 88380 [1,0,0,0,1,0|2,0,0]=4