0 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 NNCC1=CC=NC=C1 78931 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.605 N#CCC1=C(Br)C=CC=C1Cl 56066 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.605 OCCC1=C(Cl)C=NN=C1O W18368 [0,1,0,0,0,0|3,0,0]=4 16 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.10 NC1=NC2=C(C=NC=C2)O1 C72074 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.55 ClC1=C(C2CC2)C=NC=C1 N13247 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.106 BrC1=C2CCNC2=CN=C1 P18819 [0,0,0,1,0,0|2,0,0]=3 21 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [0,0,0,1,0,0|3,0,0]=4 23 B11R2.106 IC1=C2C=CNC2=CC=C1 78827 [0,0,0,1,0,0|1,0,2]=4 24 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.106 NC1=C2CC=CC2=CC=C1 C14577 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.106 OC1=CC=CC2=C1C=CO2 53817 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [1,1,0,0,0,0|0,0,2]=4 57 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [1,1,0,0,0,0|0,0,2]=4 58 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y13916 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y13917 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y13681 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y13682 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.77 CSC1=C([C@@H](N)CO)C=CC=C1 D96367 [0,2,0,0,0,0|1,1,0]=4 64 B12R1.77 N#CC1=C([C@@H](N)CO)C=CC=C1 Y12065 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.77 N#CC1=C([C@@H](N)CO)C=CC=C1 Y12066 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.77 N#CC1=C([C@@H](N)CO)C=CC=C1 Y12984 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.77 N[C@@H](CO)C1=C(CO)C=CC=C1 Y14078 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.77 N[C@@H](CO)C1=C(CO)C=CC=C1 Y14079 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.77 N[C@@H](CO)C1=C(CO)C=CC=C1 Y14304 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11550 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.1703 N[C@@H](CO)C1=C(O)C=C(F)C=C1 Y11177 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y11226 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.354 C=C[C@H](N)C1=C(O)C=CC(F)=C1 Y13835 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.354 C=C[C@H](N)C1=C(O)C=CC(F)=C1 Y14298 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12148 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12149 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.354 CC1=CC([C@@H](N)CO)=C(F)C=C1 D96394 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12137 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12138 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12488 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12489 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12998 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14074 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14075 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14292 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 Y13969 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14076 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14077 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12158 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13827 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13828 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y14300 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y12311 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y12892 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.3441 CC[C@H](N)C1=C(F)C=CC=C1F Y10299 [0,2,0,0,0,0|2,0,0]=4 96 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [1,0,0,1,0,0|0,0,0]=2 97 B12R2.81 CC1=CC=CC(C2CC2)=C1N 60035 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.82 CC1=C(O)C2=C(C=C1)NN=C2 P17648 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.202 N[C@H]1CC2=CC=CC(F)=C2C1 Y10224 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 C14609 [0,1,0,1,0,0|0,0,1]=3 101 B12R2.202 O=C1CC2=C(N=CC=C2O)N1 D96675 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.1081 BrC1=C2CCCNC2=CN=C1 60167 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Y13909 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.1081 FC1=C2CCCCC2=CC=C1 Y14505 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.1081 IC1=C2CCCNC2=NC=C1 P19495 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.1081 NC1=C2COCCC2=CC=C1 W16157 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,1,0,1,0,0|2,0,0]=4 109 B12R2.1081 O=C1C=CC=C2CNCCN12 F30423 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.1081 O=C1NC=CC2=C1CCNC2 67456 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.1081 O[C@H]1CCOC2=NC=CC=C21 AT21149 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.24 BrC1=CN=C2CNCCC2=C1 P11645 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 SC4247 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.24 C[C@H]1CNC2=C(C=CC=N2)O1 D96433 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.24 ClC1=NC2=C(C=C1)CCCO2 AT13335 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.24 ClC1=NC=C2CNCCC2=C1 AC3838 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.24 OC1=NC=C2CNCCC2=C1 66263 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 C12344 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.115 NC1CC1C2=C(F)C=CC=C2 D85587 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.196 NC1=NC=CC2=C1CC[C@@H]2N P18166 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.196 NC1=NC=CC2=C1CC[C@@H]2N P18927 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11238 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11251 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11266 [0,1,0,1,0,0|1,0,0]=3 130 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.517 FC1=C(C2CNC2)C=CC=C1 D96803 [0,1,0,1,0,0|1,0,0]=3 132 B12R2.315 C#CC1=C2CCCC2=CC=C1 D72362 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.315 COC1=C2NCCC2=CC=C1 Y14696 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.606 NC1=CC2=C(C=C1)N=C(N)O2 AC4391 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.1316 NC1=CC(C2CC2)=C(Cl)C=C1 AT14313 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N16517 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 Y14814 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11260 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 Y13416 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 59813 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11267 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11268 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.8 NCCC1=CN=CS1 S10751 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.11 CCN1N=CC=C1O AT26527 [1,0,0,0,1,0|2,0,0]=4