0 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 CC[C@H](N)C1=NC=CC=N1 C90664 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18142 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 C[C@@H](CO)C1=NC=CC=C1 AT23842 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 N14219 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24480 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 N[C@@H](CO)C1=NC=CN=C1 AT24481 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CCOC1=CN=CC=C1 F31361 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 ClCCC1=CN=CC=C1 D87792 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 NNCC1=CC=CN=N1 P13290 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 NNCC1=CN=NC=C1 P12938 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 NNCC1=NC=CC=N1 P11941 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 OCCC1=NC=NC=C1 20262 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 SCCC1=CN=CC=C1 F18092 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.12 CCB(CC)C1=CC=NC=C1 W17984 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.12 N#C[C@@H](CO)C1=CC=CC=C1 F11744 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [0,1,0,0,0,0|0,0,2]=3 33 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 D76515 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.23 CC[C@H](C)C1=CC=CC(N)=N1 AT24915 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13059 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 F13081 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 E72733 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72741 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 E72742 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.23 C[C@H](C#N)C1=CC=CC(Br)=C1 AT16528 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10333 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.23 N[C@@H](CF)C1=CC=CC(Cl)=C1 N14612 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.23 N[C@@H](CO)C1=CC=CC(I)=C1 P12330 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 F16868 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.23 O[C@@H](CF)C1=CC=CC(Cl)=C1 AT24264 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.36 C[C@@H](C(=O)O)C1=NC=CC=C1 W18289 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21494 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F AT21495 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.222 CC1=C(C(=S)NN)C=CC=C1 W10975 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.222 N#C[C@@H](F)C1=C(Cl)C=CC=C1 AC8978 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 AT24988 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 N14405 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10159 [0,1,0,0,0,0|3,0,0]=4 63 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,0,0,1,0,0|2,0,0]=3 64 B11R2.1 C[C@H]1CNC2=NC=CC=C21 93644 [0,0,0,1,0,0|1,0,0]=2 65 B11R2.1 N[C@H]1CCC2=NC=CC=C21 C15938 [0,0,0,1,0,0|3,0,0]=4 66 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,0,1,0,0|2,0,0]=3 67 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [0,0,0,1,0,0|0,0,0]=1 68 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [0,0,0,1,0,0|0,0,0]=1 69 B11R2.40 NC1(C2=CC=NC=C2)CC1 AC2827 [0,0,0,1,0,0|3,0,0]=4 70 B11R2.40 OC1(C2=CC=CC=C2)CC1 D72927 [0,0,0,1,0,0|2,0,0]=3 71 B11R2.40 OC1(C2=NC=CC=C2)CC1 AC9082 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.239 C1=CN=CC(C2CNC2)=C1 AT10105 [0,0,0,1,0,0|1,0,0]=2 73 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [0,0,0,0,0,1|1,0,2]=4 74 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [0,0,0,0,0,1|2,0,0]=3 76 B8R1.2 CCC1=NC=CC=N1 D86044 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,0]=2 78 B8R1.2 NCC1=CN=NC=C1 F10917 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.13 CC(C)C1=CN=C(N)N=C1 FD7250 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.28 [2H]C([2H])(N)C1=CC=CC=C1 D99382 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.61 CN(C)C1=C(O)C=NC=C1 AT23568 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.113 CC(C)C1=CN=CC(Cl)=N1 AT19946 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 CC1=CC=CC([C@H](C)N)=N1 D75135 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 N13197 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 D96341 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.113 C[C@H](N)C1=CC=CC(N)=N1 D96323 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.113 C[C@H](O)C1=CC(F)=NC=C1 AT10688 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.1 C#CCC1=CC=C(Cl)C=C1 D75642 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.1 NCCC1=CNC(=O)C=C1 FD7157 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.1 NCCC1=CNC(=O)N=C1 AT18222 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.10 C#CCC1=CC=CC(Cl)=C1 D75648 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.10 NC1=CC(CCO)=NC=C1 AC2677 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.10 NC1=NC=CC(CCO)=C1 AT18203 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.10 NCCC1=CC(=O)NC=C1 C73270 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.17 ICCCC1=CN=CC=C1 E70092 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.17 NCCCC1=CN=CN=C1 F52410 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.149 CN1C=CC=C1[C@@H](O)CN D86014 [0,1,0,0,1,0|2,0,0]=4 125 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,1,0,0,0,1|1,0,0]=3 126 B12R1.12 [2H]C1=CC=C(N(CC)CC)C=C1 AC5397 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 F52075 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 E72746 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.17 COC[C@H](N)C1=CC=CC(Cl)=C1 Y14847 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 Y14848 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.17 OCC[C@H](O)C1=CC=CC(Br)=C1 AT23931 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [0,2,0,0,0,0|0,0,1]=3 133 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.308 OCC[C@H](O)C1=C(Br)C=CC=C1 AT23930 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.20 CC(C)N(C)C1=CC=C(Br)C=C1 D76386 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15706 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.20 C[C@H](C1=CC=C(Br)C=C1)C(F)F 93605 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Br)C=C1 N15663 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(Cl)C=C1 N15658 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(F)C=C1 N15646 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15679 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.367 CC1=C(F)C=CC([C@@H](O)CN)=C1 AT26516 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.367 NC[C@H](N)C1=CC(Cl)=C(Br)C=C1 N13718 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 D96442 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 E72735 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 D74559 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 E72734 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Cl)=C1 AC8393 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.1703 CC[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91975 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.1703 CC[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91979 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.1703 N[C@@H](CO)C1=C(Br)C=C(Cl)C=C1 AC8581 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(F)C=C1 D96440 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.225 CC(O)C(N)C1=CC=CC(Br)=C1 D85229 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.225 CC(O)C(N)C1=CC=CC(Cl)=C1 D85228 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.225 CC(O)C(N)C1=CC=CC(F)=C1 D85236 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15618 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Cl)=C1 N15633 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(F)=C1 N15645 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91972 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 D96443 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 D96392 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 D96439 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 D85227 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 D85237 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 Y14833 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 D85224 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 Y14832 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15528 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25205 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25208 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.124 C[C@@H](C(=O)O)C1=C(I)C=CC=C1 AT25209 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15547 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15540 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15533 [0,2,0,0,0,0|2,0,0]=4 181 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]=4 182 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.564 [2H]C([2H])([2H])[C@H](Br)C1=CC=CC=C1 D99002 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12542 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y12889 [0,2,0,0,0,0|2,0,0]=4 186 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|0,0,0]=2 187 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|0,0,0]=2 188 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|0,0,0]=2 189 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|2,0,0]=4 190 B10R2.7 C1=CC2=C(N=N1)NCC2 93646 [1,0,0,1,0,0|2,0,0]=4 191 B10R2.4 OC[C@H]1CC12C=CC=C2 AT20125 [0,0,0,1,1,0|1,0,1]=4 192 B10R2.5 N[C@H]1C[C@@H]1C2=CNC=N2 AT15512 [0,0,0,1,1,0|2,0,0]=4 193 B10R2.136 C1=CC(C2CNC2)=NO1 E72859 [0,0,0,1,1,0|2,0,0]=4 194 B10R2.136 C1=CN(C2CNC2)C=N1 E10005 [0,0,0,1,1,0|2,0,0]=4 195 B10R2.136 C1=NNC(C2CNC2)=C1 F52402 [0,0,0,1,1,0|2,0,0]=4 196 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1F E72947 [0,0,0,1,0,1|1,0,0]=3 197 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [0,0,0,1,0,1|2,0,0]=4 198 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,0,0,1,0,1|2,0,0]=4 199 B12R2.23 O[C@@H]1CO[C@@H]1C2=CC=CC=C2 E73295 [0,0,0,1,0,1|2,0,0]=4 200 B12R2.23 O[C@H]1CO[C@@H]1C2=CC=CC=C2 E73297 [0,0,0,1,0,1|2,0,0]=4 201 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 71293 [0,0,0,1,0,1|1,0,0]=3 202 B12R2.2058 C1=CC(CC2CNC2)=CC=N1 E72899 [0,0,0,1,0,1|1,0,0]=3 203 B12R2.2058 C1=CC(NC2CCC2)=CC=N1 D74722 [0,0,0,1,0,1|2,0,0]=4 204 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 P15109 [0,0,0,1,0,1|0,0,0]=2 205 B12R2.2058 C1=CN=C(NC2CCC2)C=C1 D74717 [0,0,0,1,0,1|2,0,0]=4 206 B12R2.2058 C1=CN=CC(CC2CNC2)=C1 D74724 [0,0,0,1,0,1|1,0,0]=3 207 B12R2.2058 C1=CN=CC(NC2CCC2)=C1 D74719 [0,0,0,1,0,1|2,0,0]=4 208 B12R2.2058 C1=NC=C(CC2CNC2)C=N1 F52428 [0,0,0,1,0,1|2,0,0]=4 209 B12R2.48 NCC1(C2=NC=CC=N2)CC1 D74733 [0,1,0,1,0,0|2,0,0]=4 210 B12R2.48 NCC1(C2=NC=CN=C2)CC1 D74734 [0,1,0,1,0,0|2,0,0]=4 211 B12R2.116 CC1(C2=CC=CC=C2)CNC1 AT12548 [0,1,0,1,0,0|0,0,0]=2 212 B12R2.116 CC1(C2=NC=CC=C2)CNC1 AT23191 [0,1,0,1,0,0|1,0,0]=3 213 B12R2.116 NC1(C2=NC=CC=C2)CCC1 F53817 [0,1,0,1,0,0|2,0,0]=4 214 B12R2.116 OC1(C2=CN=CC=C2)COC1 E72999 [0,1,0,1,0,0|2,0,0]=4 215 B12R2.235 NC1CC1(F)C2=CC=CC=C2 AT23658 [0,1,0,1,0,0|0,0,0]=2 216 B12R2.235 N[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23672 [0,1,0,1,0,0|0,0,0]=2 217 B12R2.235 N[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23673 [0,1,0,1,0,0|0,0,0]=2 218 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 C11457 [0,1,0,1,0,0|1,0,1]=4 219 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22268 [0,1,0,1,0,0|1,0,0]=3 220 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22269 [0,1,0,1,0,0|1,0,0]=3 221 B12R2.1 NC[C@H]1COC2=C1C=CN=C2 F53637 [0,1,0,1,0,0|1,0,0]=3 222 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 86172 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24013 [0,1,0,1,0,0|1,0,0]=3 225 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24014 [0,1,0,1,0,0|1,0,0]=3 226 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E71447 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.2 C1=CN=C([C@H]2CCNC2)C=N1 AR1451 [0,1,0,1,0,0|2,0,0]=4 228 B12R2.2 C1=CN=C([C@H]2CCNC2)C=N1 H11543 [0,1,0,1,0,0|2,0,0]=4 229 B12R2.2 C1=CN=C([C@H]2CCNC2)C=N1 P10995 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [0,1,0,1,0,0|1,0,0]=3 231 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [0,1,0,1,0,0|1,0,0]=3 232 B12R2.22 NC1CC(C2=CC=NC=C2)C1 F53676 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [0,1,0,1,0,0|2,0,0]=4 234 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [0,1,0,1,0,0|1,0,0]=3 235 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.1081 O[C@H]1CNCC2=C1C=CC=N2 97788 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.79 OC1CC1C2=CC=C(Br)C=C2 AT25165 [0,1,0,1,0,0|1,0,0]=3 238 B12R2.290 NC1(C2=CC=C(I)C=C2)CC1 AC6503 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AC2727 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 C90683 [0,1,0,1,0,0|2,0,0]=4 241 B12R2.612 C[C@@H]1NCC2=C1C=CC(Br)=C2 F13796 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 59815 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 F12585 [0,1,0,1,0,0|2,0,0]=4 244 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N16513 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,1,0,1,0,0|2,0,0]=4 248 B12R2.2302 BrC1=CC=C([C@@H]2CCN2)C=C1 F53752 [0,1,0,1,0,0|2,0,0]=4 249 B12R2.2302 BrC1=CN=C(C2COC2)C=C1 AT26738 [0,1,0,1,0,0|2,0,0]=4 250 B12R2.2302 BrC1=NC=C(C2CCC2)C=C1 D76681 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.2302 CC1=CC=C(C2CCC2)C=C1 F53454 [0,1,0,1,0,0|1,0,0]=3 252 B12R2.2302 FC1=CN=C(C2CNC2)C=C1 AT19987 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.2302 FC1=CN=C(C2CNC2)N=C1 AC8264 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.2302 FC1=NC=C(C2CNC2)C=C1 55513 [0,1,0,1,0,0|1,0,0]=3 255 B12R2.2302 IC1=CC=C(C2COC2)C=C1 AT17229 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.2302 NC1=CC=C(C2CCC2)C=C1 D85595 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.2302 NC1=CC=C([C@@H]2CCO2)C=C1 AT23927 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.2302 OC1=CC=C(C2CNC2)C=C1 D75514 [0,1,0,1,0,0|0,0,0]=2 259 B12R2.2302 OC1=CC=C(C2COC2)C=C1 88186 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.80 OC1CC1C2=CC=CC(Br)=C2 AT25163 [0,1,0,1,0,0|1,0,0]=3 261 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 AT22652 [0,1,0,1,0,0|0,0,2]=4 262 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I10856 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 33360 [0,1,0,1,0,0|2,0,0]=4 264 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11246 [0,1,0,1,0,0|2,0,0]=4 265 B12R2.132 OC1=CC2=C(C=C1)OC[C@@H]2O AT23844 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.132 O[C@H]1COC2=C1C=C(Cl)C=C2 AT23846 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.132 O[C@H]1COC2=C1C=C(F)C=C2 AT23851 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.1282 NC1(C2=CC=CC(O)=C2)CC1 AT26939 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.1282 OC1(C2=CC=CC(Br)=C2)CC1 AT23531 [0,1,0,1,0,0|2,0,0]=4 270 B12R2.1282 OC1(C2=CC=CC(F)=C2)CC1 AT23534 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 P11112 [0,1,0,1,0,0|0,0,0]=2 272 B12R2.2313 BrC1=CC([C@@H]2CCO2)=CC=C1 AT23934 [0,1,0,1,0,0|2,0,0]=4 273 B12R2.2313 BrC1=CN=CC(C2COC2)=C1 85372 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 AT15510 [0,1,0,1,0,0|0,0,0]=2 275 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 AT15561 [0,1,0,1,0,0|0,0,0]=2 276 B12R2.2313 FC1=CC([C@@H]2CCN2)=CC=C1 AT25421 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.2313 FC1=NC=CC(C2CNC2)=C1 AT15195 [0,1,0,1,0,0|1,0,0]=3 278 B12R2.2313 NC1=NC(C2CCC2)=CC=C1 AT24916 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,1,0,1,0,0|1,0,1]=4 280 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [0,1,0,1,0,0|1,0,1]=4 281 B12R2.88 NC1(C2=C(O)C=CC=C2)CC1 D75141 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.88 NC1=C(C2(N)CC2)C=CC=C1 AC3778 [0,1,0,1,0,0|2,0,0]=4 283 B12R2.88 OC1(C2=C(Cl)C=CC=C2)CC1 AT26675 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.88 OC1(C2=C(F)C=CC=C2)CC1 AT23533 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.203 N[C@H]1CCC2=CC=CC(Cl)=C21 28300 [0,1,0,1,0,0|2,0,0]=4 286 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 59814 [0,1,0,1,0,0|2,0,0]=4 287 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11398 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.203 O[C@H]1COC2=CC=CC(Br)=C21 AT23849 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.203 O[C@H]1COC2=CC=CC(Cl)=C21 AT23845 [0,1,0,1,0,0|2,0,0]=4 290 B12R2.517 BrC1=C(C2CCC2)N=CC=C1 AT26728 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.517 BrC1=C([C@@H]2CCO2)C=CC=C1 AT23933 [0,1,0,1,0,0|2,0,0]=4 292 B12R2.517 FC1=C([C@@H]2CCN2)C=CC=C1 AT25420 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.517 FC1=NC=CC=C1C2CNC2 84094 [0,1,0,1,0,0|1,0,0]=3 294 B12R2.1783 N#C[C@H]1CC2=CC=CC(Br)=C21 AT20403 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [1,0,0,0,1,0|2,0,0]=4 296 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [1,0,0,0,1,0|2,0,0]=4 297 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [1,0,0,0,1,0|2,0,0]=4 298 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [1,0,0,0,1,0|2,0,0]=4 299 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [1,0,0,0,1,0|2,0,0]=4 300 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [1,0,0,0,1,0|2,0,0]=4 301 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [1,0,0,0,1,0|1,0,0]=3 302 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [1,0,0,0,1,0|2,0,0]=4 303 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [1,0,0,0,1,0|1,0,0]=3 304 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [1,0,0,0,1,0|1,0,0]=3 305 B8R1.7 C[C@H](N)C1=CSN=C1 AT21218 [1,0,0,0,1,0|2,0,0]=4 306 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [1,0,0,0,1,0|2,0,0]=4 307 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [1,0,0,0,1,0|2,0,0]=4 308 B8R1.8 NCCC1=CC=NO1 E73131 [1,0,0,0,1,0|2,0,0]=4 309 B8R1.8 NCCC1=CN=CO1 AT18734 [1,0,0,0,1,0|2,0,0]=4 310 B8R1.8 NCCC1=NC=CN1 AT24211 [1,0,0,0,1,0|2,0,0]=4 311 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [0,0,0,0,0,2|0,0,0]=2 312 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [0,0,0,0,0,2|1,0,0]=3 313 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [0,0,0,0,0,2|1,0,0]=3