0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(C)NC1=NC=CC=N1 C75128 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 NNCC1=CN=CN=C1 37093 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NNCC1=NC=CN=C1 37235 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 OCCC1=CN=CN=C1 27368 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 P17479 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,0,0,0,0|0,0,1]=2 68 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.157 CC(C)OC1=CC(Cl)=NC=C1 AB10973 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 72240 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 W12583 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.157 CC(C)OC1=NC=CC(I)=C1 W17318 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.157 FC1=CC(OC(F)F)=CC=C1 79106 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.157 OC1=CC=CC(OC(F)F)=C1 CL8486 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.509 CC(C)(C)OC1=CN=CC=C1 N10411 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS1089 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 F53446 [0,1,0,0,0,0|3,0,0]=4 111 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|0,0,0]=1 112 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|0,0,0]=1 113 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|0,0,0]=1 114 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|0,0,0]=1 115 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|0,0,0]=1 116 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|1,0,0]=2 117 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,0,0|1,0,2]=4 118 B11R2.10 CC1=CC2=C(C=CN=C2)N1 36232 [0,0,0,1,0,0|1,0,2]=4 119 B11R2.10 CC1=CC2=C(C=NC=C2)N1 64428 [0,0,0,1,0,0|1,0,2]=4 120 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [0,0,0,1,0,0|1,0,2]=4 121 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,0,0,1,0,0|0,0,0]=1 122 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,0,0,1,0,0|0,0,0]=1 123 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,1,0,0|1,0,2]=4 124 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,1,0,0|1,0,2]=4 125 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,1,0,0|1,0,2]=4 126 B11R2.10 NN1N=C2C=CC=CC2=N1 T70369 [0,0,0,1,0,0|3,0,0]=4 127 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,1,0|2,0,1]=4 129 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,1,0|2,0,0]=3 130 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,1,0|0,0,0]=1 131 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,1,0|1,0,0]=2 132 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,1,0|1,0,0]=2 133 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,1,0|1,0,0]=2 134 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,1,0|1,0,0]=2 135 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,1,0|1,0,0]=2 136 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,1,0|1,0,0]=2 137 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,1,0|1,0,0]=2 138 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [0,0,0,0,1,0|2,0,0]=3 139 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [0,0,0,0,1,0|2,0,0]=3 140 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,0,0,0,1,0|2,0,0]=3 141 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,0,0,0,1,0|2,0,0]=3 142 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,0,0,0,1,0|2,0,0]=3 143 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,0,0,0,1,0|2,0,0]=3 144 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,0,0,0,1,0|2,0,0]=3 145 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,0,0,0,1,0|2,0,0]=3 146 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,1,0|2,0,0]=3 147 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,1,0|2,0,0]=3 148 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,1,0|3,0,0]=4 149 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,1,0|3,0,0]=4 150 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,1,0|3,0,0]=4 152 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,1,0|3,0,0]=4 153 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,1,0|2,0,1]=4 154 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,1,0|2,0,1]=4 155 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,0,0,0,1,0|3,0,0]=4 156 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [0,0,0,0,1,0|1,0,0]=2 157 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,1|1,0,2]=4 158 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,0,0,0,0,1|3,0,0]=4 159 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,0,0,0,0,1|0,0,0]=1 160 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,1|2,0,1]=4 161 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,1|2,0,1]=4 162 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,1|1,0,1]=3 163 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,1|2,0,1]=4 164 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|0,0,0]=2 167 B8R1.2 NCC1=CC=CN=N1 36976 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 NCC1=CC=CN=N1 AT13034 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 NCC1=CC=CN=N1 P15536 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 NCC1=CN=CN=C1 26963 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 NCC1=CN=NC=C1 27223 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 NCC1=CN=NC=C1 36975 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 NCC1=NC=CN=C1 67569 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 NNC1=CC=CN=C1 S12141 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 180 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|0,0,2]=4 181 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|0,0,0]=2 200 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|0,0,2]=4 211 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|0,0,0]=2 214 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|0,0,2]=4 220 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,1,0,0,0,0|0,0,2]=4 221 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|0,0,0]=2 223 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|0,0,0]=2 224 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|0,0,0]=2 239 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|0,0,2]=4 247 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|0,0,2]=4 248 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|0,0,2]=4 252 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|0,0,2]=4 253 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|0,0,0]=2 268 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|0,0,0]=2 269 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|0,0,0]=2 286 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,1,0,0,0,0|0,0,1]=3 293 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.17 NCCNC1=NC=CC=N1 C72507 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.17 NCCOC1=CC=NC=C1 F31099 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,1,0,0,0,0|0,0,1]=3 301 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,1,0|1,0,1]=4 302 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,1,0|1,0,1]=4 303 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,1,0,0,1,0|1,0,0]=3 304 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,1,0,0,1,0|2,0,0]=4 307 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,1,0|0,0,0]=2 308 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,1,0|0,0,0]=2 309 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,1,0|1,0,0]=3 310 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,1,0,0,1,0|1,0,0]=3 314 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,1,0|1,0,0]=3 317 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,1,0,0,1,0|1,0,0]=3 318 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,1,0,0,1,0|1,0,0]=3 320 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,1,0,0,1,0|1,0,0]=3 321 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,1,0,0,1,0|0,0,0]=2 322 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,1,0,0,1,0|0,0,0]=2 323 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,1,0,0,1,0|0,0,0]=2 324 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,1,0,0,1,0|0,0,0]=2 325 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,1,0,0,1,0|0,0,0]=2 326 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,1,0,0,1,0|0,0,0]=2 327 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,1,0,0,1,0|0,0,0]=2 328 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,1,0,0,1,0|0,0,0]=2 329 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,1,0,0,1,0|0,0,0]=2 330 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,1,0,0,1,0|0,0,0]=2 331 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,1,0,0,1,0|1,0,0]=3 332 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,1,0,0,1,0|1,0,0]=3 333 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,1,0,0,1,0|1,0,0]=3 334 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,1,0,0,1,0|1,0,0]=3 335 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,1,0,0,1,0|1,0,0]=3 337 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,1,0,0,1,0|1,0,0]=3 338 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,1,0,0,1,0|1,0,0]=3 339 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,1,0,0,1,0|1,0,0]=3 340 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,1,0,0,1,0|1,0,0]=3 341 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,1,0,0,1,0|1,0,0]=3 342 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,1,0,0,1,0|1,0,0]=3 346 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,1,0|1,0,0]=3 352 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,1,0|1,0,0]=3 353 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,1,0|1,0,0]=3 354 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,1,0,0,1,0|1,0,1]=4 358 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,1,0,0,1,0|1,0,1]=4 359 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,1,0,0,1,0|1,0,0]=3 360 B10R1.28 CC(C)(N)C1=CC=NC=C1 F17065 [0,1,0,0,1,0|1,0,0]=3 361 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,1,0,0,1,0|1,0,0]=3 362 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12625 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,1,0|1,0,1]=4 368 B10R1.28 [2H]C([2H])(N)C1=NC=CC=C1 W18284 [0,1,0,0,1,0|2,0,0]=4 369 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,1,0|1,0,1]=4 370 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,1,0,0,1,0|2,0,0]=4 372 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,1,0,0,1,0|1,0,0]=3 373 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,1,0,0,1,0|2,0,0]=4 374 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,1,0,0,1,0|1,0,1]=4 377 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,0,1,0|0,0,0]=2 378 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,0,1,0|0,0,0]=2 379 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,0,1,0|0,0,0]=2 380 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,0,1,0|0,0,0]=2 381 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,1,0,0,1,0|1,0,0]=3 382 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,1,0,0,1,0|1,0,0]=3 383 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,1,0,0,1,0|1,0,0]=3 384 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,1,0,0,1,0|1,0,0]=3 385 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,1,0,0,1,0|1,0,0]=3 386 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,1,0,0,1,0|1,0,0]=3 388 B10R1.61 C[C@H](Cl)C1=C(F)C=NC=C1 W10402 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,0,1,0|0,0,0]=2 390 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,0,1,0|0,0,0]=2 391 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,0,1,0|0,0,0]=2 392 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,1,0,0,1,0|1,0,0]=3 393 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,1,0,0,1,0|1,0,0]=3 394 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,1,0,0,1,0|1,0,0]=3 395 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,0,1,0|0,0,0]=2 396 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,0,1,0|0,0,0]=2 397 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,0,1,0|0,0,0]=2 398 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,1,0,0,1,0|1,0,0]=3 399 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,0,1,0|0,0,0]=2 400 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,0,1,0|0,0,0]=2 401 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,0,1,0|0,0,0]=2 402 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,0,1,0|0,0,0]=2 403 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,0,1,0|0,0,0]=2 404 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,1,0,0,1,0|1,0,0]=3 406 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,0,1,0|0,0,0]=2 407 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,0,1,0|1,0,0]=3 409 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,0,1,0|1,0,0]=3 413 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,1,0,0,1,0|1,0,1]=4 415 B10R1.61 NC1=C(C(F)F)C=CC=C1 72620 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,1,0|1,0,1]=4 417 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,1,0|1,0,1]=4 418 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,1,0|1,0,1]=4 419 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,1,0|0,0,0]=2 429 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,1,0|0,0,0]=2 430 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,1,0|0,0,0]=2 431 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,1,0|0,0,0]=2 432 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,1,0|0,0,0]=2 433 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,1,0|1,0,0]=3 434 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,1,0|1,0,0]=3 435 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,1,0,0,1,0|1,0,0]=3 437 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,1,0,0,1,0|1,0,0]=3 439 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,1,0,0,1,0|1,0,0]=3 440 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,1,0,0,1,0|1,0,0]=3 441 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,1,0,0,1,0|1,0,0]=3 442 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y10857 [0,1,0,0,1,0|1,0,0]=3 443 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y11465 [0,1,0,0,1,0|1,0,0]=3 444 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,1,0,0,1,0|1,0,0]=3 445 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,1,0,0,1,0|1,0,0]=3 447 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,1,0,0,1,0|1,0,0]=3 448 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 74119 [0,1,0,0,1,0|1,0,0]=3 449 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11225 [0,1,0,0,1,0|1,0,0]=3 450 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y12112 [0,1,0,0,1,0|1,0,0]=3 451 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13390 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13391 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,1,0,0,1,0|0,0,0]=2 457 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,1,0,0,1,0|0,0,0]=2 458 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,1,0,0,1,0|1,0,0]=3 459 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,1,0,0,1,0|1,0,0]=3 460 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,1,0,0,1,0|1,0,0]=3 461 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,1,0,0,1,0|1,0,0]=3 462 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,1,0,0,1,0|1,0,0]=3 463 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,1,0,0,1,0|1,0,0]=3 464 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,1,0,0,1,0|1,0,0]=3 465 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,1,0,0,1,0|0,0,0]=2 466 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,1,0,0,1,0|0,0,0]=2 467 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,1,0,0,1,0|0,0,0]=2 468 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,1,0,0,1,0|1,0,0]=3 469 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,1,0,0,1,0|1,0,0]=3 470 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,1,0,0,1,0|0,0,0]=2 471 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,1,0,0,1,0|0,0,0]=2 472 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,1,0,0,1,0|0,0,0]=2 473 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,1,0,0,1,0|0,0,0]=2 474 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,1,0,0,1,0|0,0,0]=2 475 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,1,0,0,1,0|1,0,0]=3 476 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,1,0,0,1,0|1,0,0]=3 477 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,1,0,0,1,0|0,0,0]=2 480 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,1,0,0,1,0|0,0,0]=2 481 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,1,0,0,1,0|0,0,0]=2 482 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,1,0,0,1,0|0,0,0]=2 483 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,1,0,0,1,0|0,0,0]=2 484 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,1,0,0,1,0|0,0,0]=2 485 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,1,0|1,0,0]=3 488 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.54 CC1=NOC(C[C@H](C)N)=C1 72329 [0,1,0,0,1,0|2,0,0]=4 494 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,0,1|1,0,1]=4 495 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,0,1|1,0,1]=4 496 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [0,1,0,0,0,1|1,0,0]=3 497 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,1,0,0,0,1|0,0,0]=2 498 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 AR2252 [0,1,0,0,0,1|1,0,1]=4 499 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,1,0,0,0,1|1,0,1]=4 500 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,1,0,0,0,1|1,0,1]=4 501 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,1|1,0,1]=4 502 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,0,0,0,1|1,0,1]=4 503 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,1,0,0,0,1|1,0,0]=3 504 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,1|1,0,1]=4 505 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,1|1,0,1]=4 507 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,1|0,0,0]=2 508 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,1,0,0,0,1|1,0,0]=3 509 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,1,0,0,0,1|1,0,0]=3 510 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,1,0,0,0,1|1,0,0]=3 511 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,1,0,0,0,1|1,0,0]=3 513 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,1|1,0,1]=4 515 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [0,1,0,0,0,1|1,0,0]=3 516 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,1|1,0,1]=4 517 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [0,1,0,0,0,1|1,0,0]=3 518 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,1,0,0,0,1|1,0,0]=3 519 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 A12195 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.4 CC(C)NC1=CC=C(C#N)C=C1 W15912 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 N12164 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 A12454 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.19 CC1=C(N)C=C(OC(C)C)C=C1 W11212 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.19 CC1=C(N)C=CC(OC(C)C)=C1 W16012 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.19 N=C(N)CC1=CC(Cl)=C(Cl)C=C1 S10695 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3803 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3971 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,2,0,0,0,0|0,0,0]=2 550 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,2,0,0,0,0|0,0,0]=2 553 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,2,0,0,0,0|0,0,0]=2 555 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.106 CC(C)(N)CC1=CC=C(Br)C=C1 85007 [0,2,0,0,0,0|0,0,0]=2 559 B12R1.106 CC1=CC=C(OC(C)(C)C)C=C1 CK2379 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.106 NC1=CC=C(CC(F)(F)F)C=C1 W16718 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.233 CC(C)OC1=C(F)C=C(N)C=C1 24274 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 C90902 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.233 NC(=S)CC1=C(F)C=C(F)C=C1 W19208 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y11951 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y13383 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y14748 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11171 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11172 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 N12777 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,2,0,0,0,0|1,0,0]=3 584 B12R1.478 NC(=O)[C@H](CO)C1=CC=CC=C1 F16398 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31035 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31052 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F 20356 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F 29907 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F F13087 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F Y10324 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F T72326 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.32 C#CCN(C)CC1=CC=CC=C1 29243 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,2,0,0,0,0|0,0,0]=2 595 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,2,0,0,0,0|0,0,0]=2 596 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,2,0,0,0,0|0,0,0]=2 601 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,2,0,0,0,0|0,0,0]=2 602 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,2,0,0,0,0|0,0,0]=2 603 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,2,0,0,0,0|0,0,0]=2 604 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,2,0,0,0,0|0,0,0]=2 606 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,2,0,0,0,0|0,0,1]=3 607 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 D83334 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.371 CC1=C(C\C(N)=N/O)C=CC=C1 W10713 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.371 C[C@@H](CN)OC1=C(Cl)C=CC=C1 AR3974 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,2,0,0,0,0|0,0,0]=2 619 B12R1.371 N\C(CC1=C(Br)C=CC=C1)=N\O W10717 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.75 CC(C)CC1=C(CO)C=CC=N1 W12144 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 C90141 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.127 CC(C)CC1=C(O)C=CC(O)=C1 A11730 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.127 CC(C)NC1=C(Br)C=CC(N)=C1 D94341 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.127 CC(C)OC1=C(N)C=CC(F)=C1 F30107 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.151 CC(C)(C)NC1=C(N)C=CC=C1 H11618 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.151 CC(C)(C)OC1=C(Br)C=CC=C1 F50546 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.151 CC(C)(C)OC1=C(O)C=CC=C1 A12306 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.151 CC(C)(C)SC1=C(N)C=CC=C1 H10039 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=C1 D76801 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 P11161 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.151 CC1=C(CC(C)(C)N)C=CC=C1 53104 [0,2,0,0,0,0|0,0,0]=2 632 B12R1.151 NC1=C(CC(F)(F)F)C=CC=C1 D82830 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.151 NS(=O)(=O)CC1=C(Cl)C=CC=C1 71287 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.224 CC(=O)CC1=CC=CC(F)=C1F Y12421 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.1009 NC(=O)CC1=C(Cl)C=CC=C1Cl A12848 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=N1 C77297 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 C11184 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.438 CC(C)OC1=CC=CC(CCl)=C1 I11048 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 58519 [0,2,0,0,0,0|0,0,0]=2 640 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|1,0,0]=3 641 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [1,0,0,1,0,0|2,0,0]=4 642 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [1,0,0,1,0,0|2,0,0]=4 643 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|1,0,0]=3 644 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|1,0,0]=3 645 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|1,0,0]=3 646 B10R2.7 C1=CN=C2CNCC2=C1 83068 [1,0,0,1,0,0|2,0,0]=4 647 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [1,0,0,1,0,0|2,0,0]=4 648 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|1,0,1]=4 649 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,0,0,1,0,1|0,0,0]=2 650 B12R2.22 NC1CN(C2=NC=CC=N2)C1 P17712 [0,0,0,1,0,1|2,0,0]=4 651 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,0,0,1,0,1|0,0,0]=2 652 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,0,0,1,0,1|1,0,0]=3 653 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,1,0,1|1,0,0]=3 654 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,1,0,1|1,0,0]=3 655 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,1|2,0,0]=4 656 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,1|2,0,0]=4 657 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,1|1,0,0]=3 658 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,1|0,0,0]=2 659 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,1,0,1|0,0,0]=2 660 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,1,0,1|0,0,0]=2 661 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,1,0,1|0,0,0]=2 662 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,1|0,0,0]=2 663 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,1|0,0,0]=2 664 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,1|1,0,1]=4 665 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,1|1,0,1]=4 666 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,1|1,0,0]=3 667 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,1|1,0,0]=3 668 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,1|1,0,0]=3 669 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [0,0,0,1,0,1|1,0,0]=3 670 B12R2.2403 CC1(C)CNC2=C1C=NC=C2 85489 [0,0,0,1,0,1|2,0,0]=4 671 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,0,0,1,0,1|1,0,0]=3 672 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [0,1,0,1,0,0|0,0,0]=2 673 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [0,1,0,1,0,0|0,0,0]=2 674 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [0,1,0,1,0,0|0,0,0]=2 675 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [0,1,0,1,0,0|0,0,0]=2 676 B12R2.79 N[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 P16407 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 27371 [0,1,0,1,0,0|0,0,2]=4 678 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 33909 [0,1,0,1,0,0|0,0,2]=4 679 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 P15438 [0,1,0,1,0,0|0,0,2]=4 680 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 P11525 [0,1,0,1,0,0|0,0,2]=4 681 B12R2.606 CC1=CC2=C(C=C1)N[C@@H](C)C2 D78738 [0,1,0,1,0,0|0,0,0]=2 682 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 W17343 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 C75100 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,1,0,1,0,0|1,0,0]=3 685 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 C76645 [0,1,0,1,0,0|0,0,0]=2 686 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 AT10840 [0,1,0,1,0,0|0,0,0]=2 688 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,1,0,1,0,0|0,0,0]=2 693 B12R2.18 CN1N=C2C=CC=CC2=C1N D83793 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,1,0,1,0,0|1,0,0]=3 696 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,1,0,1,0,0|0,0,0]=2 697 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,1,0,1,0,0|1,0,0]=3 701 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 29809 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,1,0,1,0,0|1,0,0]=3 704 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,1,0,1,0,0|1,0,0]=3 705 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,1,0,1,0,0|1,0,0]=3 706 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,1,0,1,0,0|1,0,0]=3 707 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 25413 [0,1,0,1,0,0|0,0,2]=4 708 B12R2.32 NCC1OC2=C(C=CC=C2)O1 AC2204 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,1,0,1,0,0|0,0,0]=2 710 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,1,0,1,0,0|0,0,0]=2 711 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,1,0,1,0,0|1,0,0]=3 712 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,1,0,1,0,0|1,0,0]=3 713 B12R2.2058 C1=CC(OC2CNC2)=CN=C1 AB8082 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,1,0,1,0,0|0,0,0]=2 715 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 O11950 [0,1,0,1,0,0|0,0,0]=2 718 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 72073 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 69005 [0,1,0,1,0,0|0,0,2]=4 720 B12R2.202 CC1=CC2=C(F)C=CC=C2N1 I11356 [0,1,0,1,0,0|0,0,2]=4 721 B12R2.202 CC1=CC2=CC=CC(C)=C2N1 S10129 [0,1,0,1,0,0|0,0,2]=4 722 B12R2.202 CC1=NC2=C(O)C=CC=C2N1 W10564 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.202 CC1=NC2=CC=CC(Cl)=C2N1 91610 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.202 C[C@H]1CC2=CC=CC(N)=C2N1 P20141 [0,1,0,1,0,0|0,0,0]=2 725 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 82071 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [0,1,0,1,0,0|1,0,1]=4 727 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [0,1,0,1,0,0|1,0,1]=4 729 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 I11355 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.202 O[C@H]1CC2=CC=CC(Br)=C2C1 31670 [0,1,0,1,0,0|1,0,0]=3 731 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 AT13881 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,1,0,1,0,0|0,0,0]=2 733 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,1,0,1,0,0|0,0,0]=2 734 B12R2.1286 BrC1=CC(OC2CC2)=CC=C1 AT13863 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,0,1,0|2,0,0]=4 736 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,0,1,0|2,0,0]=4 737 B8R1.8 CNCC1=COC=C1 AC5678 [1,0,0,0,1,0|2,0,0]=4 738 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,1,0|1,0,0]=3 739 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,1,0|1,0,0]=3 740 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,0,1,0|1,0,0]=3 741 B8R1.8 NCCC1=NC=CN1 F18351 [1,0,0,0,1,0|2,0,0]=4 742 B8R1.8 NCCC1=NC=CS1 70863 [1,0,0,0,1,0|2,0,0]=4 743 B8R1.8 NCCC1=NNC=C1 AC1362 [1,0,0,0,1,0|2,0,0]=4 744 B8R1.8 NCCN1C=CC=N1 28356 [1,0,0,0,1,0|2,0,0]=4 745 B8R1.8 NCCN1C=CN=C1 30762 [1,0,0,0,1,0|2,0,0]=4 746 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,1,0|2,0,0]=4 747 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,1,0|2,0,0]=4 748 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,1,0|2,0,0]=4 749 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,2,0|2,0,0]=4 750 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,2,0|1,0,0]=3 751 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,2,0|1,0,0]=3 752 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,2,0|1,0,0]=3 753 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,2,0|1,0,0]=3 754 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,2,0|1,0,0]=3 755 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,2,0|1,0,0]=3 756 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,2,0|1,0,0]=3 757 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,0,0,0,2,0|2,0,0]=4 758 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,2,0|2,0,0]=4 759 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [0,0,0,0,2,0|2,0,0]=4 760 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,0,0,0,2,0|1,0,0]=3 761 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,0,0,0,2,0|1,0,0]=3 762 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,2,0|2,0,0]=4 763 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,2,0|2,0,0]=4 764 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,2,0|2,0,0]=4 765 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,2,0|2,0,0]=4 766 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,2,0|2,0,0]=4 767 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,2,0|2,0,0]=4 768 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,2,0|2,0,0]=4 769 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,0,0,0,2,0|2,0,0]=4