0 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.8 NNCC1=CC=CN=N1 P13290 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 NNCC1=CN=NC=C1 P12938 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 NNCC1=NC=CC=N1 P11941 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 OCCC1=NC=NC=C1 20262 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CC1=C(CN)C=CN=N1 F50140 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 CC1=CN=NC=C1CN P12550 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CC1=NC=NC=C1CN F31022 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.15 CNC1=C(Br)C=CN=N1 79169 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 COC1=CN=CN=C1Br D88097 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [1,0,0,0,0,0|1,1,0]=3 19 B9R1.15 NCC1=CC=CNC1=O D76881 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 NCC1=CC=NNC1=O P12551 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 NCC1=NC=CN=C1F C91950 [1,0,0,0,0,0|2,1,0]=4 22 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [0,1,0,0,0,0|1,1,1]=4 23 B11R1.17 OCCCC1=C(O)C=CN=C1 D74335 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.41 C#CC1=C(CC#N)C=CC=C1 C91138 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.41 COCC1=C(CO)C=CC=C1 C16099 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.81 FC1=C(CCBr)C=CC(Br)=C1 AC8494 [0,1,0,0,0,0|1,1,0]=3 27 B11R1.81 N#CCC1=C(Br)C=C(F)C=N1 AT25316 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.86 FC(F)OC1=C(Br)C=CN=C1 AT26496 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.86 O=C(O)CC1=C(Br)C=CN=C1 AT23274 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.86 O=C(O)CC1=C(Br)C=NC=C1 AT23277 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 D73872 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.182 CCCN1C=C(N)C=CC1=O AT19281 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.182 CCOC1=CC(N)=CN=C1Br 23877 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.182 N#CCC1=C(F)C=CC(O)=C1 AC9338 [0,1,0,0,0,0|0,1,2]=4 36 B11R1.182 N#CCC1=C(I)C=CC(Br)=C1 AT16623 [0,1,0,0,0,0|0,1,2]=4 37 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.222 N#C[C@@H](F)C1=C(Cl)C=CC=C1 AC8978 [0,1,0,0,0,0|0,1,2]=4 40 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 AT24988 [0,1,0,0,0,0|2,1,0]=4 43 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 N14405 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.222 O=C(NO)C1=C(Br)C=CC=C1 D76830 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10159 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.605 NC1=CC=CC(Br)=C1CCO AT22850 [0,1,0,0,0,0|1,0,0]=2 47 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [0,0,0,1,0,0|2,0,0]=3 48 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [0,0,0,1,0,0|2,0,0]=3 49 B11R2.20 C1=CC2=C(C=N1)COCC2 AT22006 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.20 C1=CC2=C(C=N1)NCCC2 AT25892 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.20 C1=CC2=C(CCCO2)N=C1 85303 [0,0,0,1,0,0|3,0,0]=4 52 B11R2.20 C1=CN=C2CNCCC2=N1 S11512 [0,0,0,1,0,0|3,0,0]=4 53 B11R2.20 C1=CN=C2COCCC2=C1 AT22005 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.55 BrC1=C(C2CC2)C=NC=C1 AT10334 [0,0,0,1,0,0|2,0,0]=3 55 B11R2.55 IC1=C(C2CC2)C=CN=C1 AT16335 [0,0,0,1,0,0|2,1,0]=4 56 B11R2.55 NC1=C(C2CC2)C=NC=C1 O10997 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.106 BrC1=C2CNCC2=NC=C1 P19420 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.106 BrC1=C2NCCC2=CN=C1 38739 [0,0,0,1,0,0|3,0,0]=4 59 B11R2.106 BrC1=NC=NC2=C1CCC2 AC9445 [0,0,0,1,0,0|3,0,0]=4 60 B11R2.106 IC1=C2CCNC2=CC=C1 F13717 [0,0,0,1,0,0|0,1,0]=2 61 B11R2.106 O=C1C=CC=C2CCCN12 AT22965 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.106 OC1=C2CCNC2=NC=C1 D72164 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.2 CCC1=NC=CC=N1 D86044 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,0]=2 65 B8R1.2 NCC1=CN=NC=C1 F10917 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 CC1=C(Br)C=NN=C1 F53722 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 NC1=C(S)C=NC=C1 P12634 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 O=C1OC=CC=C1Br AC1746 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.1 NCCC1=CNC(=O)N=C1 AT18222 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.17 ICCCC1=CN=CC=C1 E70092 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.17 NCCCC1=CN=CN=C1 F52410 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.2 C#CC1=CC=CC(F)=C1Br AT26750 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.2 CCC1=CN=CC(F)=C1N 93261 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 CCN1C=CC=C(O)C1=O AT19248 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.2 NCC1=NC=CC(Cl)=C1Cl AT13887 [1,1,0,0,0,0|1,1,0]=4 94 B10R1.2 NCC1=NC=CC(Cl)=C1F AC3524 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.2 NCC1=NC=CC(Cl)=C1F AT22978 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.2 NNC1=CC=CC(F)=C1Br AT23940 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.2 OCC1=CN=CC(Br)=C1Br AT15999 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.25 CC1=CC(F)=C(CN)N=C1 AT25475 [1,1,0,0,0,0|1,1,0]=4 101 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.25 [BH3-]C1=CC(Cl)=C(CO)C=C1 AC7773 [1,1,0,0,0,0|1,1,0]=4 105 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24005 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.30 CC1=NC(CN)=C(Br)C=C1 AT24006 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.30 CCC1=C(Br)C=CC(N)=N1 AT24914 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [1,1,0,0,0,0|1,1,0]=4 110 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.30 NCC1=C(Br)C=CC(Cl)=N1 C90983 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.30 NCC1=CC(Br)=CN=C1Cl AT10812 [1,1,0,0,0,0|1,1,0]=4 113 B10R1.30 OCC1=C(Br)C=CC(F)=N1 C77408 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [1,1,0,0,0,0|1,1,0]=4 116 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [1,1,0,0,0,0|1,1,0]=4 117 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [1,1,0,0,0,0|1,1,0]=4 119 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.245 C#CC1=C(Br)C=CC=C1Br AT26842 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.245 CC1=CN=CC(F)=C1CN AT25470 [1,1,0,0,0,0|1,1,0]=4 122 B10R1.245 COC1=C(Br)C=CN=C1Br D76094 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.245 COC1=C(Br)C=CN=C1Cl D76095 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [1,1,0,0,0,0|1,1,0]=4 126 B10R1.245 OCC1=C(I)C=CC=C1I AT18544 [1,1,0,0,0,0|1,1,0]=4 127 B10R1.149 CN1C=CC=C1[C@@H](O)CN D86014 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.25 FC1=CC=CC(OCCBr)=C1F AT22369 [0,2,0,0,0,0|1,1,0]=4 129 B12R1.224 CC1=C(Br)C=CC=C1C[C@H](C)N AT22881 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.224 CC1=C(Br)C=CC=C1C[C@H](C)N AT22882 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.224 CC1=C(N)C=CC=C1C[C@H](C)N AT22883 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.224 CC1=C(N)C=CC=C1C[C@H](C)N AT22884 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.544 NCCC1=C(F)C(F)=C(Br)C=C1 AT12624 [0,2,0,0,0,0|0,1,0]=3 134 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [0,2,0,0,0,0|1,1,0]=4 136 B12R1.308 OCC[C@H](O)C1=C(Br)C=CC=C1 AT23930 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.1631 FC1=CC=CC(F)=C1OCCBr AT22368 [0,2,0,0,0,0|1,1,0]=4 138 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12542 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12889 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.1095 NCCC1=C(F)C=C(Br)C=C1F AT12605 [0,2,0,0,0,0|0,1,0]=3 141 B12R1.1123 CCCC1=C(Br)C=C(Cl)C(O)=C1 F52147 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.1123 NCCC1=CC(F)=C(Br)C=C1F AT12604 [0,2,0,0,0,0|0,1,0]=3 143 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 E72734 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Cl)=C1 AC8393 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.1703 CC[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91975 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.1703 CC[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91979 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.1703 N[C@@H](CO)C1=C(Br)C=C(Cl)C=C1 AC8581 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(F)C=C1 D96440 [0,2,0,0,0,0|1,1,0]=4 149 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 D85227 [0,2,0,0,0,0|1,1,0]=4 150 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 D85237 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 Y14833 [0,2,0,0,0,0|1,1,0]=4 152 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 D85224 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 Y14832 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15528 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15547 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15540 [0,2,0,0,0,0|1,1,0]=4 157 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15533 [0,2,0,0,0,0|1,1,0]=4 158 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15630 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=N1 AT24027 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.151 C[S@](=N)(=O)CC1=C(Br)C=CC=C1 E72410 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91972 [0,2,0,0,0,0|1,0,0]=3 162 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 D96443 [0,2,0,0,0,0|1,1,0]=4 163 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|1,0,0]=3 164 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|0,0,0]=2 165 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|0,0,0]=2 166 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|2,0,0]=4 167 B10R2.7 C1=CC2=C(N=N1)NCC2 93646 [1,0,0,1,0,0|2,0,0]=4 168 B12R2.81 NC1=C(F)C(C2CC2)=CC=C1 AC9571 [0,1,0,1,0,0|1,1,0]=4 169 B12R2.82 ClC1=C(Br)C2=C(C=C1)CCC2 AT26145 [0,1,0,1,0,0|1,0,0]=3 170 B12R2.202 ClC1=NC2=C(Br)C=CC=C2N1 79223 [0,1,0,1,0,0|1,0,1]=4 171 B12R2.202 O=C1CC2=C(C=CN=C2Br)N1 D72986 [0,1,0,1,0,0|1,0,1]=4 172 B12R2.1081 BrC1=C2CCNCC2=CN=C1 F53720 [0,1,0,1,0,0|1,0,0]=3 173 B12R2.1081 BrC1=C2CNCCC2=CN=C1 P16622 [0,1,0,1,0,0|2,0,0]=4 174 B12R2.1081 BrC1=C2OCCNC2=CN=C1 AT12952 [0,1,0,1,0,0|1,0,0]=3 175 B12R2.1081 BrC1=C2OCCNC2=NC=C1 P19421 [0,1,0,1,0,0|1,0,0]=3 176 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [0,1,0,1,0,0|1,0,0]=3 177 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [0,1,0,1,0,0|1,0,0]=3 178 B12R2.1081 ClC1=C2CCNCC2=NC=C1 D76679 [0,1,0,1,0,0|1,1,0]=4 179 B12R2.1081 NC1=C2COCCC2=CC=C1 98368 [0,1,0,1,0,0|2,0,0]=4 180 B12R2.1081 O=C1NC=CC2=C1CCCN2 AT21862 [0,1,0,1,0,0|2,0,0]=4 181 B12R2.1081 OC1=C2OCCNC2=CC=C1 F20690 [0,1,0,1,0,0|1,0,0]=3 182 B12R2.1081 O[C@H]1CNCC2=C1C=CC=N2 97788 [0,1,0,1,0,0|2,0,0]=4 183 B12R2.24 CC1=CC=C2CCNCC2=N1 F18601 [0,1,0,1,0,0|2,0,0]=4 184 B12R2.24 ClC1=CN=C2CCNCC2=C1 83105 [0,1,0,1,0,0|2,0,0]=4 185 B12R2.24 ClC1=NC2=C(C=C1)CCNC2 D76544 [0,1,0,1,0,0|2,0,0]=4 186 B12R2.24 ClC1=NC2=C(C=C1)CCNC2 F53702 [0,1,0,1,0,0|2,0,0]=4 187 B12R2.24 ClC1=NC=C2CNCCC2=C1 F13900 [0,1,0,1,0,0|2,0,0]=4 188 B12R2.24 NC1=CC2=C(C=C1)COCC2 W16156 [0,1,0,1,0,0|2,0,0]=4 189 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 71293 [0,1,0,1,0,0|1,0,0]=3 190 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 C14593 [0,1,0,1,0,0|2,0,0]=4 191 B12R2.24 O=C1C=C2CCNCC2=CN1 E70186 [0,1,0,1,0,0|2,0,0]=4 192 B12R2.24 OC1=NC=C2CNCCC2=C1 F53055 [0,1,0,1,0,0|2,0,0]=4 193 B12R2.517 BrC1=C(C2CCC2)N=CC=C1 AT26728 [0,1,0,1,0,0|2,0,0]=4 194 B12R2.517 BrC1=C([C@@H]2CCO2)C=CC=C1 AT23933 [0,1,0,1,0,0|1,0,0]=3 195 B12R2.517 FC1=C([C@@H]2CCN2)C=CC=C1 AT25420 [0,1,0,1,0,0|0,1,0]=3 196 B12R2.517 FC1=NC=CC=C1C2CNC2 84094 [0,1,0,1,0,0|1,1,0]=4 197 B12R2.1 NC[C@H]1COC2=C1C=CN=C2 F53637 [0,1,0,1,0,0|2,0,0]=4 198 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 86172 [0,1,0,1,0,0|2,0,0]=4 199 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24013 [0,1,0,1,0,0|2,0,0]=4 200 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24014 [0,1,0,1,0,0|2,0,0]=4 201 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1F E72947 [0,1,0,1,0,0|2,0,0]=4 202 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [0,1,0,1,0,0|1,0,0]=3 203 B12R2.315 N#CC1=NC=CC2=C1CCN2 90573 [0,1,0,1,0,0|2,0,0]=4 204 B12R2.315 NCC1=C2CCCC2=CC=C1 AT17203 [0,1,0,1,0,0|2,0,0]=4 205 B12R2.246 OC1=C2CCCC2=CC(Cl)=C1 N14342 [0,1,0,1,0,0|2,0,0]=4 206 B12R2.606 N[C@H]1CC2=C(C1)N=C(Cl)C=C2 AT25961 [0,1,0,1,0,0|2,0,0]=4 207 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 D75527 [0,1,0,1,0,0|1,0,0]=3 208 B12R2.606 N[C@H]1CC2=CC(Br)=CN=C2C1 D75404 [0,1,0,1,0,0|2,0,0]=4 209 B12R2.1317 NC1=CC(Cl)=C(C2CC2)C=C1 AC9454 [0,1,0,1,0,0|1,1,0]=4 210 B12R2.1317 NC1=CC(F)=C(C2CC2)C=C1 AC8126 [0,1,0,1,0,0|1,1,0]=4 211 B12R2.1316 CC1=CC(C2CC2)=C(Br)C=N1 AT24029 [0,1,0,1,0,0|2,0,0]=4 212 B12R2.1316 NC1=CC(C2CC2)=C(Br)C=C1 AT14293 [0,1,0,1,0,0|1,0,0]=3 213 B12R2.1316 NC1=CC(C2CC2)=C(F)C=C1 90409 [0,1,0,1,0,0|1,1,0]=4 214 B12R2.1316 NC1=NC(C2CC2)=C(Br)C=C1 AT24912 [0,1,0,1,0,0|2,0,0]=4 215 B12R2.88 NC1(C2=C(O)C=CC=C2)CC1 D75141 [0,1,0,1,0,0|2,0,0]=4 216 B12R2.88 NC1=C(C2(N)CC2)C=CC=C1 AC3778 [0,1,0,1,0,0|2,0,0]=4 217 B12R2.88 OC1(C2=C(Cl)C=CC=C2)CC1 AT26675 [0,1,0,1,0,0|1,1,0]=4 218 B12R2.88 OC1(C2=C(F)C=CC=C2)CC1 AT23533 [0,1,0,1,0,0|1,1,0]=4 219 B12R2.203 FC1=NNC2=CC=CC(Br)=C21 AT22909 [0,1,0,1,0,0|1,0,1]=4 220 B12R2.203 N[C@H]1CCC2=CC=CC(Cl)=C21 28300 [0,1,0,1,0,0|1,1,0]=4 221 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 59814 [0,1,0,1,0,0|1,1,0]=4 222 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11398 [0,1,0,1,0,0|1,1,0]=4 223 B12R2.203 O[C@H]1COC2=CC=CC(Br)=C21 AT23849 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.203 O[C@H]1COC2=CC=CC(Cl)=C21 AT23845 [0,1,0,1,0,0|1,1,0]=4 225 B12R2.1783 N#C[C@H]1CC2=CC=CC(Br)=C21 AT20403 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.8 NCCC1=CC=NO1 E73131 [1,0,0,0,1,0|2,0,0]=4 227 B8R1.8 NCCC1=CN=CO1 AT18734 [1,0,0,0,1,0|2,0,0]=4 228 B8R1.8 NCCC1=NC=CN1 AT24211 [1,0,0,0,1,0|2,0,0]=4 229 B8R1.11 NCC1=C(Br)C=NS1 AT21091 [1,0,0,0,1,0|2,0,0]=4 230 B8R1.11 NCC1=C(Br)C=NS1 AT21097 [1,0,0,0,1,0|2,0,0]=4 231 B8R1.11 NCC1=NSC=C1Br D80073 [1,0,0,0,1,0|2,0,0]=4