0 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.2 CCC1=NC=NC(Cl)=C1Br F13813 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.2 CCC1=NC=NC(O)=C1Br F13817 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.2 CCN1C=CC=C(N)C1=O AT19274 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,0,0,0,0,0|3,1,0]=4 15 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.2 N#CC1=CC=CC(N)=C1O AT22558 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.2 CCC1=NC=CC(Cl)=N1 W12562 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 ClCC1=NC=CC(Cl)=C1 C13998 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 NCC1=CC(=O)NC=C1 37540 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.2 NCC1=NC=CC(N)=C1 77886 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.3 CC1=C(Br)C(=O)NC=C1 29620 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.3 CC1=C(F)C(=O)NC=N1 54993 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.3 CC1=C(I)C(=O)C=CN1 D84797 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.3 CC1=CC=CC(S)=C1C F20973 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.3 CC1=CC=CC(S)=C1N AT19641 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.3 CC1=CC=NC(C)=C1O F17537 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.3 NC1=CC=CC(N)=C1O O10621 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.3 NC1=CC=CC(O)=C1O 30915 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.3 OC1=CC=CC(I)=C1O D82483 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 CCC1=CC=CN=C1C 75814 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 CCC1=CN=CN=C1O C15413 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.8 CCC1=C(N)C(C)=CC(Br)=C1 68319 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.8 COC1=CC(Br)=CC(Cl)=C1O AC1897 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.13 CCNC1=NC=CC(Cl)=C1N C91370 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.13 CN1C(=O)C=CN=C1CCN AT13879 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.13 OCCC1=NC=CC(Cl)=C1Br W11042 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.72 COC1=C(Br)C=CC(F)=C1O F15494 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.159 CC(C)C1=CC=CC(Br)=C1O C91212 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.159 CC(C)C1=CC=CC(N)=C1N D85847 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.159 CC1=CC=CC([C@H](C)N)=C1C N12727 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Cl Y11085 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.265 CCC1=CC=CC(O)=C1OC O11000 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.265 COC1=C(Br)C=CC=C1CO W15450 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.265 COC1=C(CBr)C=CC=C1F 55557 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.265 COC1=C(CCl)C=CC=C1F 55555 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.265 COC1=C(CN)C=CC=C1C N12978 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.265 COC1=C(CO)C(N)=CC=C1 AC4741 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.265 COC1=C(CO)C=CC=C1C N12737 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.265 COC1=C(F)C=CC=C1CN N14224 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.267 CCC1=CC=CC(CC)=C1[15NH2] D98564 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.267 CCC1=CC=CC(OC)=C1F 57989 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.267 CCC1=CC=CC(OC)=C1O O10769 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.267 COC1=C(F)C(C=O)=CC=N1 AT18197 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.267 O=CC1=C(Br)C(CO)=CC=C1 I11841 [0,1,0,0,0,0|3,0,0]=4 80 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [0,0,0,1,0,0|3,0,0]=4 81 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,0,0,1,0,0|3,0,0]=4 82 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [0,0,0,1,0,0|2,0,0]=3 83 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.106 NC1=C2OCCC2=CC=N1 F53509 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [2,0,0,0,0,0|0,0,2]=4 87 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.8 CCC1=CC(C)=CC(Br)=C1 C90915 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|1,1,0]=4 93 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.10 CNCC1=NC=CC(Cl)=C1 CS1254 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.113 C[C@H](N)C1=NC=CC(Br)=C1 90526 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14934 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 C[C@H](N)C1=NC=CC(Cl)=C1 N14935 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.176 CCC1=CC(N)=C(Br)C=N1 C14681 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.22 CC1=C(O)C(I)=CC(I)=N1 FD10658 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.22 CC1=CC(Cl)=CC(N)=C1O 78884 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.20 COC1=CC=CN=C1CCl 27916 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.300 CCC1=C(O)C(C)=CC(C#N)=C1 85548 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1O P17540 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.280 COC1=C(O)C(CCN)=CC=C1 F30665 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.87 COC1=C(Br)C=CC=C1[C@H](C)O F50434 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.228 CC(C)(C)C1=CC=CC(O)=C1O W17828 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.440 CC(C)C1=CC=CC(C=O)=C1N C72170 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.440 CNC1=CC=CC(C(=O)O)=C1O W11124 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.1879 COC1=NC=CC(C=O)=C1OC D75696 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.39 CCC1=C(C(=O)O)C=CO1 AT17500 [0,0,1,1,0,0|2,0,0]=4 156 B10R1.39 CCC1=C(C(=O)O)N=CO1 AT12735 [0,0,1,1,0,0|2,0,0]=4 157 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,0,1,1,0,0|2,0,0]=4 158 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.246 FC1=CC(F)=C2OCCC2=C1 H10353 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.246 NC1=C2OCCC2=CC(F)=C1 88988 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.1081 BrC1=C2OCCNC2=CC=C1 D96169 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.1081 CC1=CC=CC2=C1OCCO2 AC8962 [0,1,0,1,0,0|2,0,0]=4 163 B12R2.1081 ClC1=C2OCCOC2=NC=C1 AT11517 [0,1,0,1,0,0|2,0,0]=4 164 B12R2.1081 OC1=C2OCCCC2=CC=C1 76490 [0,1,0,1,0,0|1,0,1]=4 165 B12R2.1081 OC1=CC=NC2=C1OCCN2 F52364 [0,1,0,1,0,0|1,0,1]=4 166 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N11245 [0,1,0,1,0,0|2,0,0]=4 167 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16519 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16520 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F16955 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F17000 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 59816 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 F16958 [0,1,0,1,0,0|2,0,0]=4 173 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 D81329 [0,1,0,1,0,0|2,0,0]=4 174 B12R2.315 O=CC1=C2CCCC2=CC=C1 N10682 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.315 O=CC1=C2CCCC2=CC=C1 Y10694 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.1 CC1=COC(CO)=C1 AT17124 [1,0,0,0,1,0|2,0,0]=4 177 B8R1.1 CCC1=CC=C(S)S1 AT16555 [1,0,0,0,1,0|1,1,0]=4 178 B8R1.1 NCC1=CC(Cl)=CO1 50492 [1,0,0,0,1,0|2,0,0]=4 179 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,0,0,0,1,0|2,0,0]=4 180 B8R1.11 CCC1=C(N)C=NO1 AT19807 [1,0,0,0,1,0|2,0,0]=4