0 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,0,0,0,0|0,0,2]=2 5 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,0,0,0,0|0,0,2]=2 24 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,0,0,0,0|0,0,2]=2 25 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 NNC(=O)C1=CN=CN=C1 F18165 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,0,0,0,0,0|1,0,2]=3 48 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|1,0,2]=4 79 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.7 NCC(F)(F)C1=CC=CC=C1 P11064 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,1,0,0,0,0|0,0,3]=4 99 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,0,0,0,0|0,0,0]=1 101 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,1,0,0,0,0|0,0,2]=3 105 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,0,0|0,0,2]=3 134 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.22 NNC(=S)C1=CC=C(Cl)C=C1 W10978 [0,1,0,0,0,0|2,1,0]=4 159 B11R1.22 NNC(=S)C1=CC=C(F)C=C1 W10976 [0,1,0,0,0,0|2,1,0]=4 160 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13444 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 C77301 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,0|0,0,3]=4 271 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,0|1,0,1]=3 272 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,0|1,0,1]=3 273 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,0|1,0,1]=3 274 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,1,0,0,0,0|0,0,0]=1 282 B11R1.36 O=C(C1=NC=CC=C1)C(F)F F17975 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,1,0,0,0,0|1,0,1]=3 290 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,1,0,0,0,0|1,0,1]=3 292 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,1,0,0,0,0|1,0,1]=3 293 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [0,1,0,0,0,0|1,0,1]=3 295 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [0,1,0,0,0,0|1,0,1]=3 298 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [0,1,0,0,0,0|1,0,1]=3 299 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [0,1,0,0,0,0|1,0,1]=3 300 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [0,1,0,0,0,0|1,0,1]=3 301 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [0,1,0,0,0,0|1,0,1]=3 302 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [0,1,0,0,0,0|1,0,1]=3 303 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.222 COC(=O)C1=CC=NNC1=O P11740 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W19004 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 W10711 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,0,0,0,0|1,0,0]=2 344 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,1,0,0|3,0,0]=4 345 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|1,0,0]=2 346 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|1,0,1]=3 347 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|2,0,0]=3 348 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|2,0,1]=4 349 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,1,0,0|2,0,1]=4 350 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,1,0,0|2,0,1]=4 351 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,1,0,0|3,0,0]=4 352 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,0,0,1,0,0|2,0,1]=4 353 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,0,0,1,0,0|2,0,1]=4 354 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,1,0,0|2,0,0]=3 355 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|2,0,0]=3 356 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,1,0,0|2,0,1]=4 357 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,1,0,0|2,0,1]=4 358 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,1,0,0|2,0,1]=4 359 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,1,0,0|0,0,2]=3 360 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,0|1,0,0]=2 361 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,0|1,0,0]=2 362 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,1,0,0|2,0,0]=3 363 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,1,0,0|2,0,0]=3 364 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|1,0,0]=2 365 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,1,0,0|2,0,0]=3 366 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,1,0,0|2,0,0]=3 367 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,1,0,0|2,0,0]=3 368 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,0,0,1,0,0|1,0,2]=4 369 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,1,0,0|2,0,0]=3 370 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,0,0,1,0,0|3,0,0]=4 371 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,0,0,1,0,0|3,0,0]=4 372 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,1,0,0|3,0,0]=4 373 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,0,0,1,0,0|3,0,0]=4 374 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,1,0,0|3,0,0]=4 375 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,1,0,0|2,0,1]=4 376 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|0,0,2]=3 377 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,1,0,0|1,0,2]=4 378 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,1,0,0|1,0,2]=4 379 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,1,0,0|1,0,2]=4 380 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,1,0,0|1,0,2]=4 381 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,1,0,0|1,0,2]=4 382 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,1]=4 383 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,1]=4 384 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,1]=4 385 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,1]=4 386 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,1]=4 387 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|2,0,1]=4 388 B11R2.40 NC1(C2=CC=CN=C2)CC1 E10032 [0,0,0,1,0,0|2,0,1]=4 389 B11R2.40 NC1(C2=CC=NC=C2)CC1 38295 [0,0,0,1,0,0|2,0,1]=4 390 B11R2.40 NC1(C2=NC=CC=C2)CC1 59909 [0,0,0,1,0,0|2,0,1]=4 391 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,0,0,1,0,0|2,0,1]=4 392 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,0,0,1,0,0|2,0,1]=4 393 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|1,0,1]=3 394 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,0,0,0,1,0|2,0,0]=3 395 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,0,0,0,1,0|1,0,0]=2 396 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,0,0,0,1,0|2,0,0]=3 397 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,0,0,0,1,0|2,0,1]=4 398 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,0,0,0,1,0|3,0,0]=4 399 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,0,0,0,1,0|3,0,0]=4 400 B9R1.11 COC(=O)C1=COC=N1 22956 [0,0,0,0,1,0|3,0,0]=4 401 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,0,0,0,1,0|3,0,0]=4 402 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,0,0,0,1,0|2,0,0]=3 403 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,0,0,0,1,0|2,0,0]=3 404 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,0,0,0,1,0|2,0,1]=4 405 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,0,0,0,1|2,0,0]=3 406 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,0,1|1,0,0]=2 407 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,0,0,0,1|2,0,0]=3 408 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,0,0,0,0,1|3,0,0]=4 409 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,0,0,0,0,1|2,0,1]=4 410 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,0,1|1,0,0]=2 411 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,0,0,0,0,1|1,0,0]=2 412 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,0,0,0,0,1|1,0,0]=2 413 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,0,0,0,0,1|2,0,0]=3 415 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,0,0,0,0,1|3,0,0]=4 416 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,0,1|1,0,0]=2 417 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,0,0,0,0,1|1,0,0]=2 418 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,0,0,0,0,1|2,0,1]=4 419 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 421 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 427 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|0,0,2]=4 441 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,1,0,0,0,0|0,0,2]=4 459 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|0,0,2]=4 506 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|0,0,2]=4 507 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [1,1,0,0,0,0|0,0,2]=4 537 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [1,1,0,0,0,0|0,0,2]=4 556 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [1,1,0,0,0,0|0,0,2]=4 557 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [1,1,0,0,0,0|0,0,2]=4 558 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [1,1,0,0,0,0|0,0,2]=4 559 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,1,0,0,0,0|0,0,2]=4 590 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|0,0,1]=3 592 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|0,0,1]=3 593 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,1,0,0,0,0|0,0,2]=4 605 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|0,0,1]=3 607 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|0,0,1]=3 608 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|0,0,1]=3 611 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,1,0,0,0,0|0,0,2]=4 612 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.17 NCCOC1=CC=NC=C1 F31099 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,1,0,0,0,0|0,0,2]=4 620 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,1,0|2,0,0]=4 638 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,1,0,0,1,0|2,0,0]=4 639 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [0,1,0,0,1,0|1,0,0]=3 640 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,1,0,0,1,0|2,0,0]=4 641 B10R1.149 COC(=O)C1=C(O)C=CN1 C10734 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.149 COC(=O)C1=CC=CN1N O11841 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.149 COC(=O)C1=CSC=C1Br 27641 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.149 COC(=O)C1=CSC=C1N P17958 [0,1,0,0,1,0|2,0,0]=4 645 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,1,0,0,0,1|1,0,0]=3 647 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,1,0,0,0,1|1,0,0]=3 648 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,1,0,0,0,1|0,0,0]=2 649 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,1|1,0,1]=4 650 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,1|1,0,1]=4 651 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,1,0,0,0,1|0,0,0]=2 652 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,0,1|1,0,1]=4 653 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,0,1|1,0,1]=4 654 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,1,0,0,0,1|1,0,0]=3 655 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,1,0,0,0,1|1,0,0]=3 656 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,1,0,0,0,1|1,0,0]=3 657 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,1,0,0,0,1|1,0,0]=3 658 B12R1.34 COC(=O)[C@H](N)C1=CC=NC=C1 31581 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,1,0,0,0,1|1,0,0]=3 660 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,1|0,0,0]=2 661 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,0,1|1,0,1]=4 662 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,1,0,0,0,1|0,0,2]=4 663 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,1|0,0,0]=2 665 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,1|0,0,0]=2 666 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,1|0,0,0]=2 667 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,1,0,0,0,1|0,0,0]=2 668 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,1,0,0,0,1|1,1,0]=4 669 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,1,0,0,0,1|1,0,0]=3 673 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [0,1,0,0,0,1|0,0,2]=4 675 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,1|0,0,0]=2 676 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,1|0,0,0]=2 677 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 69168 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 AC2372 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 P15504 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.50 COC(=O)CC1=NC=CC(Br)=C1 57353 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 74407 [0,1,0,0,0,1|1,0,0]=3 683 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,1,0,0,0,1|1,0,0]=3 684 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [0,1,0,0,0,1|0,0,2]=4 686 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,1,0,0,0,1|0,0,0]=2 687 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [0,1,0,0,0,1|0,0,0]=2 688 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,1,0,0,0,1|1,0,0]=3 689 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 D72052 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,1,0,0,0,1|1,0,0]=3 691 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,1,0,0,0,1|1,0,0]=3 692 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,1,0,0,0,1|1,0,0]=3 693 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 12221 [0,1,0,0,0,1|2,0,0]=4 694 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.9 CCS(=O)(=O)C1=CN=C(Br)C=C1 32462 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.9 CCS(=O)(=O)C1=CN=C(Cl)C=C1 57878 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.9 CCS(=O)(=O)C1=NC=C(Cl)C=C1 W17573 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W10956 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.9 CNS(=O)(=O)C1=CC=C(Cl)C=C1 S12303 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 D72514 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.9 COS(=O)(=O)C1=CC=C(Cl)C=C1 D93386 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 35720 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.39 NCCS(=O)(=O)C1=NC=CC=C1 AR3972 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.195 CCS(=O)(=O)C1=C(N)C=CC=C1 D84300 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.195 CNS(=O)(=O)C1=C(N)C=CC=C1 25006 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.195 COS(=O)(=O)C1=C(I)C=CC=C1 P17004 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.475 C#C[C@](O)(CC)C1=CC=CC=C1 65662 [0,2,0,0,0,0|0,0,2]=4 708 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,2,0,0,0,0|0,0,1]=3 710 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.478 NC(=O)[C@H](CO)C1=CC=CC=C1 F16398 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15276 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|0,0,0]=2 714 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=N1 RB3338 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 P17719 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 26720 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.16 CCOC(=O)C1=NN=C(S)C=C1 D80571 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [0,2,0,0,0,0|0,0,2]=4 730 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 D81217 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,2,0,0,0,0|0,0,2]=4 737 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 C72931 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.17 CCOC(=O)C1=CC(=O)NC=C1 72628 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 90616 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.17 CCOC(=O)C1=CC(F)=NC=C1 91499 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 C71724 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 90138 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.17 CCOC(=O)C1=NC(C)=CC=C1 D84508 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 F11923 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.17 CCOC(=O)C1=NC=CC(F)=C1 AB10269 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,2,0,0,0,0|1,0,1]=4 750 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,2,0,0,0,0|0,0,2]=4 757 B12R1.30 C#CCNC(=O)C1=CN=CC=C1 W16031 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [0,2,0,0,0,0|0,0,1]=3 759 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [0,2,0,0,0,0|0,0,0]=2 761 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 W10393 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.30 O=C(NCCO)C1=NC=CN=C1 W16086 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,2,0,0,0,0|0,0,1]=3 767 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,2,0,0,0,0|0,0,1]=3 775 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,2,0,0,0,0|1,0,1]=4 777 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,2,0,0,0,0|1,0,1]=4 778 B12R1.308 CCOC(=O)C1=C(Br)C=NC=N1 67175 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 P12076 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 84692 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 AC8189 [0,2,0,0,0,0|0,0,1]=3 794 B12R1.308 NC1=C([C@@H](N)CCO)C=CC=C1 51813 [0,2,0,0,0,0|1,0,1]=4 795 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [0,2,0,0,0,0|0,0,0]=2 797 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 F19828 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y12655 [0,2,0,0,0,0|1,0,1]=4 799 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13063 [0,2,0,0,0,0|1,0,1]=4 800 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13303 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,2,0,0,0,0|1,0,1]=4 803 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 AB9723 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 87748 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 57139 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 94419 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 FD7395 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 68601 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 P11291 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,2,0,0,0,0|1,0,1]=4 815 B12R1.5 N#CC1=CC=C(C(=O)CO)C=C1 AC6010 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,2,0,0,0,0|0,0,1]=3 817 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [0,2,0,0,0,0|1,0,1]=4 821 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.20 CC1=CC=C(C(=O)C(Br)Br)C=C1 D93381 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,2,0,0,0,0|0,0,0]=2 827 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 W17856 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 C75974 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.20 CN(C)C(=O)C1=CN=C(Br)C=C1 C91401 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,2,0,0,0,0|0,0,0]=2 833 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,2,0,0,0,0|0,0,0]=2 834 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,2,0,0,0,0|1,0,1]=4 835 B12R1.20 O=C(C1=CC=C(Br)C=C1)C(F)F 55168 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,2,0,0,0,0|1,0,1]=4 839 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,2,0,0,0,0|1,0,1]=4 841 B12R1.367 CCC(=O)C1=CC(C)=C(F)C=C1 N14308 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13259 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13282 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N11061 [0,2,0,0,0,0|1,0,1]=4 846 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12884 [0,2,0,0,0,0|1,0,1]=4 847 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11975 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11976 [0,2,0,0,0,0|1,0,1]=4 849 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y12956 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10297 [0,2,0,0,0,0|1,0,1]=4 851 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10298 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11774 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11775 [0,2,0,0,0,0|1,0,1]=4 854 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y13035 [0,2,0,0,0,0|1,0,1]=4 855 B12R1.367 CNC(=O)C1=CC(F)=C(N)C=C1 AB8036 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 D82594 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 89893 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 52415 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 27161 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 36387 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.367 COC(=O)C1=CC(Cl)=C(I)C=C1 71900 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 D74443 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 26246 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 D94492 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 27120 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=N1 D70929 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.367 COC(=O)C1=CC=C(N)C(Br)=N1 F30314 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=N1 A10575 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 C71741 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.367 COC(=O)C1=CN=C(Br)C(Cl)=C1 AT10809 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 W18451 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 C74015 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P14147 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 D71942 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 C72053 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 P13461 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 O11955 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 P15512 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 27103 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.367 COC(=O)C1=NC(N)=C(Cl)C=C1 D80838 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 P10795 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.367 COC(=O)C1=NC=C(C)C(N)=C1 F18534 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 RB3263 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 CS1665 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 80144 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.367 O=C(CBr)C1=CC(F)=C(Cl)C=C1 D87891 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 80196 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.1703 C=C(CO)C1=C(F)C=C(F)C=C1 D94514 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.1703 CC1=C(C(=O)NN)C=CC(Cl)=C1 D97392 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 D87870 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 T70851 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.1703 CCC(=O)C1=C(F)C=C(Cl)C=C1 55949 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.1703 CCC(=O)C1=CN=C(Cl)C=C1Cl D79379 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y10891 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y11488 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 N11313 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 Y11983 [0,2,0,0,0,0|1,0,1]=4 899 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 Y11984 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 F21058 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 Y10296 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 Y11754 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 75450 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 35420 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=N1 BL008119 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 F11974 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=N1 85649 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.1703 COC(=O)C1=C(Br)C=C(O)C=C1 C90903 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 D82510 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 F19913 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 F16760 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 C71884 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 O11963 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.1703 COC(=O)C1=C(C)NC(=O)C=C1 32384 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.1703 COC(=O)C1=C(Cl)C=C(C)C=C1 C90285 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 BL010110 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=N1 BL010141 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)N=C1 C72055 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 P12276 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 O11966 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.1703 COC(=O)C1=C(I)C=C(C)C=C1 C90901 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.1703 COC(=O)C1=C(I)C=C(F)C=C1 W19258 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 P18775 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 27048 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Br Y11556 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl AC8698 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl 28017 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C 68238 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F 24406 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O 76668 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N F14180 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C S10377 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.1703 COC(=O)C1=NC=C(F)C=C1N 85648 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(F)C=C1 78988 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 T70646 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.1703 O=C(CCl)C1=C(Br)C=C(Cl)C=N1 BL010234 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.1703 O=C(CCl)C1=C(F)C=C(Cl)C=C1 W16973 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.1703 O=C(CCl)C1=NC=C(Cl)C=C1F BL010227 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Cl)C=C1 AC4055 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.24 CCC(=O)C1=CC=CC(F)=C1C W10818 [0,2,0,0,0,0|0,0,0]=2 941 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F Y11776 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F Y12448 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.24 CC[C@H](O)C1=CC=CC(F)=C1C W10780 [0,2,0,0,0,0|0,0,2]=4 944 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=CC=N1 W16398 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.24 COC(=O)C1=C(F)C(Br)=NC=C1 AC2387 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.24 COC(=O)C1=C(F)C(F)=NC=C1 22790 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 P11890 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 25739 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.24 COC(=O)C1=CC=CC(F)=C1O 35125 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.24 COC(=O)C1=CC=CC(I)=C1Cl C90780 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.24 COC(=O)C1=CC=CC(I)=C1F CL9472 [0,2,0,0,0,0|1,0,0]=3 952 B12R1.24 COC(=O)C1=CC=CC(I)=C1N 87420 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.24 COC(=O)C1=CC=CC(N)=C1Cl C71675 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.24 COC(=O)C1=CC=CC(N)=C1F 84758 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.24 COC(=O)C1=CC=CC(N)=C1I D93611 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.24 COC(=O)C1=CC=CC(O)=C1Cl O11869 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.24 COC(=O)C1=CC=CC(O)=C1F 31763 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.24 COC(=O)C1=CC=CN(C)C1=O P10137 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Cl O11951 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.24 COC(=O)C1=CN=CC(Br)=C1O C71564 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.24 COC(=O)C1=CN=CC(Cl)=C1Cl D79951 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.24 COC(=O)C1=NC=CC(Br)=C1C W12069 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1C 36343 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1F C71146 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl C75178 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,2,0,0,0,0|0,0,1]=3 967 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [0,2,0,0,0,0|0,0,0]=2 968 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y11951 [0,2,0,0,0,0|1,0,1]=4 969 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y13383 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y14748 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11171 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11172 [0,2,0,0,0,0|1,0,1]=4 973 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 N12777 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.225 CN(C)C(=O)C1=NC=CC(Cl)=C1 D84243 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [0,2,0,0,0,0|1,0,1]=4 976 B12R1.225 O=C(C1=CC=CC(Br)=C1)C(F)F 79339 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,2,0,0,0,0|1,0,1]=4 978 B12R1.354 CC1=C(C(=O)NN)C=C(Br)C=C1 W11103 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.354 CCC(=O)C1=C(C)C=CC(Cl)=C1 W17965 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 F19670 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 C14451 [0,2,0,0,0,0|0,0,0]=2 982 B12R1.354 CCC(=O)C1=C(O)C=CC(Cl)=C1 W10407 [0,2,0,0,0,0|0,0,0]=2 983 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12263 [0,2,0,0,0,0|1,0,1]=4 984 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13195 [0,2,0,0,0,0|1,0,1]=4 985 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13210 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13294 [0,2,0,0,0,0|1,0,1]=4 987 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y11974 [0,2,0,0,0,0|1,0,1]=4 988 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12040 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13015 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.354 CC[C@H](N)C1=C(C)C=CC(C)=C1 Y12442 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.354 CC[C@H](N)C1=C(C)C=CC(C)=C1 Y12443 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12600 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13263 [0,2,0,0,0,0|1,0,1]=4 994 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13286 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12154 [0,2,0,0,0,0|1,0,1]=4 996 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12155 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12930 [0,2,0,0,0,0|1,0,1]=4 998 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11972 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11973 [0,2,0,0,0,0|1,0,1]=4 1000 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12947 [0,2,0,0,0,0|1,0,1]=4 1001 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 S10040 [0,2,0,0,0,0|1,0,1]=4 1002 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y11981 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y11982 [0,2,0,0,0,0|1,0,1]=4 1004 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y13005 [0,2,0,0,0,0|1,0,1]=4 1005 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 W17964 [0,2,0,0,0,0|0,0,2]=4 1006 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 AB3027 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=N1 N11759 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=N1 83150 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.354 COC(=O)C1=C(Br)C=CC(O)=C1 91199 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=N1 D80475 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 35162 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.354 COC(=O)C1=C(Cl)C=CC(=O)N1 C71788 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=N1 D70469 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=N1 D74444 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=N1 C71779 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.354 COC(=O)C1=C(F)C=CC(C)=N1 D79814 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.354 COC(=O)C1=C(I)C=CC(Cl)=C1 F14202 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 TD1035 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.354 COC(=O)C1=C(I)C=CC(N)=C1 C90900 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=N1 Y10087 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=N1 36328 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.354 COC(=O)C1=C(N)C=CC(N)=C1 C75313 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.354 COC(=O)C1=C(N)C=NC(C)=C1 92402 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 27205 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Br P11748 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.354 COC(=O)C1=CC(Br)=NC=C1Cl 33641 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.354 COC(=O)C1=CC(Br)=NC=C1O P12277 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.354 COC(=O)C1=CC(C)=CN=C1Br F31227 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.354 COC(=O)C1=CC(Cl)=CNC1=O AB10289 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N 36566 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O P12281 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.354 COC(=O)C1=CC(F)=CN=C1Br D79790 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.354 COC(=O)C1=CC(F)=CN=C1C D83689 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.354 COC(=O)C1=CC(F)=CN=C1F N13221 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.354 COC(=O)C1=CC(N)=CN=C1Cl AB9601 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.354 COC(=O)C1=CC(O)=CN=C1Cl P16237 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.354 COC(=O)C1=NC(C)=CC=C1O C75887 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.354 O=C(CCl)C1=C(O)C=CC(O)=C1 D93523 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 N12933 [0,2,0,0,0,0|1,0,1]=4 1040 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12541 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12893 [0,2,0,0,0,0|1,0,1]=4 1042 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 N10826 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y10262 [0,2,0,0,0,0|1,0,1]=4 1044 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y11761 [0,2,0,0,0,0|1,0,1]=4 1045 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y11762 [0,2,0,0,0,0|1,0,1]=4 1046 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y12258 [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.358 CNC(=O)C1=CC(Cl)=CC(Cl)=N1 D93661 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=N1 O11925 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.358 COC(=O)C1=CC(Br)=CC(Cl)=C1 AC2412 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.358 COC(=O)C1=CC(Br)=CC(N)=N1 F19593 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.358 COC(=O)C1=CC(Br)=CC(O)=C1 92695 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.358 COC(=O)C1=CC(Br)=NC(Br)=C1 39016 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 63854 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.358 COC(=O)C1=CC(Br)=NC(F)=C1 70482 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.358 COC(=O)C1=CC(C)=CC(Cl)=N1 90351 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.358 COC(=O)C1=CC(C)=CC(F)=C1 95607 [0,2,0,0,0,0|1,0,0]=3 1057 B12R1.358 COC(=O)C1=CC(C)=NC(C)=C1 85555 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.358 COC(=O)C1=CC(Cl)=CC(Br)=N1 D83505 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.358 COC(=O)C1=CC(Cl)=CC(F)=N1 91501 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 F13564 [0,2,0,0,0,0|1,0,0]=3 1061 B12R1.358 COC(=O)C1=CC(F)=CC(O)=C1 AC2842 [0,2,0,0,0,0|1,0,0]=3 1062 B12R1.358 COC(=O)C1=CC(I)=CC(N)=C1 68573 [0,2,0,0,0,0|1,0,0]=3 1063 B12R1.358 COC(=O)C1=CC(I)=CC(O)=C1 63574 [0,2,0,0,0,0|1,0,0]=3 1064 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 35796 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=N1 P17484 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.358 COC(=O)C1=CC(N)=NC(C)=C1 C14032 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.435 C#CC1=NC=CC(C(=O)OC)=C1 C72023 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.435 C=CC1=CC=CC(C(=O)OC)=C1 D70627 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.435 C=CC1=NC=CC(C(=O)OC)=C1 AT24831 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.435 CCC1=CC=CC(C(=O)OC)=N1 87881 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 Y10305 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 Y11076 [0,2,0,0,0,0|1,0,1]=4 1073 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 I11000 [0,2,0,0,0,0|1,0,1]=4 1074 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10279 [0,2,0,0,0,0|1,0,1]=4 1075 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10692 [0,2,0,0,0,0|1,0,1]=4 1076 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11031 [0,2,0,0,0,0|1,0,1]=4 1077 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11911 [0,2,0,0,0,0|1,0,1]=4 1078 B12R1.435 CNC1=CC(C(=O)OC)=CN=C1 AC2444 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 95192 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.435 COC(=O)C1=CC(CCl)=CN=C1 D82677 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 83064 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 66246 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.435 COC(=O)C1=CC(NN)=CC=C1 Y14662 [0,2,0,0,0,0|1,0,0]=3 1084 B12R1.435 COC(=O)C1=CC=CC(CCl)=N1 C15344 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.435 COC(=O)C1=CC=CC(CF)=N1 C71729 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.435 COC(=O)C1=CN=CC(C#N)=C1 AB9682 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 P16250 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C72063 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.435 COC(=O)C1=NC(CN)=CC=C1 C73301 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.435 COC(=O)C1=NC=CC(C#N)=C1 79688 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 C76018 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.435 COC(=O)C1=NC=CC(CCl)=C1 P16244 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.435 COC1=CC(C(=O)CBr)=NC=C1 D79755 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.435 COC1=CC=CC(C(=O)CCl)=N1 78726 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.435 N#CC1=CC=CC(C(=O)NN)=C1 D85705 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 D71121 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 AB11009 [0,2,0,0,0,0|1,0,1]=4 1100 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,2,0,0,0,0|1,0,1]=4 1101 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31035 [0,2,0,0,0,0|1,0,1]=4 1102 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31052 [0,2,0,0,0,0|1,0,1]=4 1103 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,2,0,0,0,0|1,0,1]=4 1104 B12R1.564 O=C(C1=CN=CC=C1)C(F)(F)F RB1144 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.564 O=C(C1=CN=CC=C1)C(F)(F)F S11060 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.564 O=C(C1=NC=CC=C1)C(F)(F)F 85219 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.77 C=CC1=C(C(=O)OC)C=CC=C1 F53555 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10282 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10283 [0,2,0,0,0,0|1,0,1]=4 1111 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10315 [0,2,0,0,0,0|1,0,1]=4 1112 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11966 [0,2,0,0,0,0|1,0,1]=4 1113 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11967 [0,2,0,0,0,0|1,0,1]=4 1114 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y12173 [0,2,0,0,0,0|1,0,1]=4 1115 B12R1.77 COC(=O)C1=C(C#N)C=NC=C1 85332 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.77 COC(=O)C1=C(CCl)C=CN=C1 63528 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 O11853 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20930 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.77 COC(=O)C1=CC=CN=C1CCl 84738 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.77 COC(=O)C1=NC=CC=C1C#N AC6324 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.77 N#CC1=C(C(=O)CBr)C=CC=C1 F13302 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y12854 [0,2,0,0,0,0|1,0,1]=4 1124 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y13254 [0,2,0,0,0,0|1,0,1]=4 1125 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y13276 [0,2,0,0,0,0|1,0,1]=4 1126 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11511 [0,2,0,0,0,0|1,0,1]=4 1127 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11553 [0,2,0,0,0,0|1,0,1]=4 1128 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11578 [0,2,0,0,0,0|1,0,1]=4 1129 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11580 [0,2,0,0,0,0|1,0,1]=4 1130 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11509 [0,2,0,0,0,0|1,0,1]=4 1131 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11510 [0,2,0,0,0,0|1,0,1]=4 1132 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11569 [0,2,0,0,0,0|1,0,1]=4 1133 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11576 [0,2,0,0,0,0|1,0,1]=4 1134 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11965 [0,2,0,0,0,0|1,0,1]=4 1135 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y12449 [0,2,0,0,0,0|1,0,1]=4 1136 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1Br AT11253 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.3441 COC(=O)C1=C(C)C=NC=C1C AT11252 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1Br 55289 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1C P17403 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.3441 COC(=O)C1=C(F)C=NC=C1C D79934 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.3441 COC(=O)C1=C(I)C=CC=C1Br 82625 [0,2,0,0,0,0|1,0,0]=3 1142 B12R1.3441 COC(=O)C1=C(I)C=CC=C1Cl D76547 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.3441 COC(=O)C1=C(I)C=CC=C1F C11271 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.3441 COC(=O)C1=C(N)C=CN=C1Cl 87438 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.3441 COC(=O)C1=C(N)N=CC=C1C D81973 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C C74722 [0,2,0,0,0,0|1,0,0]=3 1147 B12R1.3441 COC(=O)C1=C(O)C=CC=C1N F30234 [0,2,0,0,0,0|1,0,0]=3 1148 B12R1.3441 O=C(CCl)C1=C(Cl)C=CC=C1Cl Y13245 [0,2,0,0,0,0|1,0,0]=3 1149 B12R1.3441 O=C(CO)C1=C(F)C=CC=C1F AC3385 [0,2,0,0,0,0|1,0,0]=3 1150 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [0,0,1,1,0,0|2,0,0]=4 1151 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,0,1,1,0,0|2,0,0]=4 1152 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,0]=2 1153 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|2,0,0]=4 1154 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|2,0,0]=4 1155 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|2,0,0]=4 1156 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,1,0,0|2,0,0]=4 1157 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|2,0,0]=4 1158 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,0,0,1,1,0|2,0,0]=4 1159 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,0,0,1,0,1|2,0,0]=4 1160 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,0,0,1,0,1|1,0,1]=4 1161 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,0,0,1,0,1|2,0,0]=4 1162 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 C74108 [0,0,0,1,0,1|2,0,0]=4 1163 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [0,0,0,1,0,1|1,0,0]=3 1164 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,0,0,1,0,1|1,0,0]=3 1165 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,1|1,0,1]=4 1166 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,0,1,0,1|0,0,0]=2 1167 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,1|0,0,0]=2 1168 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,1|2,0,0]=4 1169 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,1|2,0,0]=4 1170 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,1|1,0,1]=4 1171 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,1|1,0,1]=4 1172 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,1,0,1|2,0,0]=4 1173 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,1|1,0,0]=3 1174 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,1,0,1|1,0,0]=3 1175 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,0,0,1,0,1|2,0,0]=4 1176 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,0,1|1,0,0]=3 1177 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [0,0,0,1,0,1|2,0,0]=4 1178 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,1,0,1|2,0,0]=4 1179 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,1,0,1|2,0,0]=4 1180 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,1,0,1|2,0,0]=4 1181 B12R2.24 O=C1CSC2=C(C=CN=C2)N1 W19614 [0,0,0,1,0,1|2,0,0]=4 1182 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,1|1,0,0]=3 1183 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 26882 [0,0,0,1,0,1|1,0,1]=4 1184 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,0,0,1,0,1|0,0,1]=3 1185 B12R2.32 CCC1=NC2=CC=CN=C2O1 AC1601 [0,0,0,1,0,1|1,0,1]=4 1186 B12R2.32 CCC1=NN2C=CC=CC2=C1 W16147 [0,0,0,1,0,1|2,0,0]=4 1187 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,0,0,1,0,1|1,1,0]=4 1188 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 25413 [0,0,0,1,0,1|2,0,0]=4 1189 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [0,0,0,1,0,1|1,0,1]=4 1190 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 AC2205 [0,0,0,1,0,1|1,0,1]=4 1191 B12R2.32 NCC1=NC2=C(C=CC=C2)S1 C15505 [0,0,0,1,0,1|1,1,0]=4 1192 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,0,0,1,0,1|0,0,2]=4 1193 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,0,0,1,0,1|1,0,1]=4 1194 B12R2.48 C#CC1(C2=CC=CC=C2)CC1 C14707 [0,1,0,1,0,0|1,0,1]=4 1195 B12R2.48 NCC1(C2=CC=CC=C2)CC1 31434 [0,1,0,1,0,0|1,0,1]=4 1196 B12R2.48 OCC1(C2=CC=CC=C2)CC1 71001 [0,1,0,1,0,0|0,0,2]=4 1197 B12R2.116 FC1(C2=CC=CC=C2)CNC1 85150 [0,1,0,1,0,0|1,0,1]=4 1198 B12R2.116 NC1(C2=CC=CC=C2)COC1 59767 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.116 OC1(C2=CC=CC=C2)CNC1 38604 [0,1,0,1,0,0|0,0,2]=4 1200 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,1,0,0|0,0,2]=4 1201 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,1,0,0|1,0,0]=3 1202 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,1,0,1,0,0|1,0,1]=4 1203 B12R2.1 CCC1=NNC2=C1C=CC=C2 C10488 [0,1,0,1,0,0|1,0,0]=3 1204 B12R2.1 NCC1=CSC2=C1C=CC=C2 AC2201 [0,1,0,1,0,0|1,1,0]=4 1205 B12R2.1 NCC1=CSC2=C1C=CC=C2 D94984 [0,1,0,1,0,0|1,1,0]=4 1206 B12R2.1 NCC1=NNC2=C1C=CC=C2 26320 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.1 NCC1=NNC2=C1C=CC=C2 C71652 [0,1,0,1,0,0|2,0,0]=4 1208 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [0,1,0,1,0,0|1,0,1]=4 1209 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,1,0,1,0,0|1,0,1]=4 1210 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [0,1,0,1,0,0|1,0,1]=4 1211 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,1,0,1,0,0|1,0,1]=4 1212 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,1,0,1,0,0|1,0,1]=4 1213 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,1,0,1,0,0|1,0,1]=4 1216 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,1,0,1,0,0|1,0,1]=4 1217 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 O10472 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,1,0,1,0,0|1,0,1]=4 1219 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 F30066 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,1,0,1,0,0|2,0,0]=4 1221 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,1,0,1,0,0|1,0,1]=4 1222 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,1,0,1,0,0|2,0,0]=4 1223 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,1,0,1,0,0|1,0,1]=4 1224 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,1,0,1,0,0|1,0,1]=4 1225 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,1,0,1,0,0|1,0,1]=4 1227 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,1,0,1,0,0|1,0,1]=4 1228 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,1,0,1,0,0|1,0,1]=4 1229 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,1,0,1,0,0|1,0,1]=4 1230 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,1,0,1,0,0|1,0,1]=4 1232 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,1,0,1,0,0|1,0,1]=4 1233 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,1,0,1,0,0|1,0,1]=4 1234 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,1,0,1,0,0|1,0,1]=4 1235 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,1,0,1,0,0|1,0,1]=4 1236 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|1,0,1]=4 1237 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|1,0,1]=4 1238 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [0,1,0,1,0,0|0,0,1]=3 1239 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [0,1,0,1,0,0|1,0,0]=3 1240 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [0,1,0,1,0,0|1,0,0]=3 1241 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [0,1,0,1,0,0|1,0,0]=3 1242 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,1,0,0|1,0,0]=3 1243 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,1,0,1,0,0|1,0,0]=3 1244 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,1,0,1,0,0|1,0,0]=3 1245 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,1,0,1,0,0|1,0,0]=3 1246 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [0,1,0,1,0,0|0,0,2]=4 1247 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,1,0,1,0,0|0,0,2]=4 1248 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,1,0,1,0,0|0,0,2]=4 1249 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,1,0,1,0,0|0,0,2]=4 1250 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,1,0,1,0,0|0,0,2]=4 1251 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|0,0,2]=4 1252 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,1,0,1,0,0|1,0,1]=4 1253 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,1,0,1,0,0|2,0,0]=4 1254 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,1,0,0|1,0,0]=3 1256 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,1,0,0|0,0,0]=2 1257 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,1,0,1,0,0|1,0,0]=3 1258 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,1,0,1,0,0|1,0,1]=4 1259 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,1,0,1,0,0|1,0,1]=4 1260 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,1,0,1,0,0|1,0,1]=4 1261 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 N14247 [0,1,0,1,0,0|1,0,0]=3 1262 B12R2.290 CC1(C2=CC=C(Br)C=C2)CC1 D85572 [0,1,0,1,0,0|1,0,1]=4 1263 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 28804 [0,1,0,1,0,0|1,0,1]=4 1264 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 29864 [0,1,0,1,0,0|1,0,1]=4 1265 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 E10027 [0,1,0,1,0,0|1,0,1]=4 1266 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,1,0,0|1,0,0]=3 1267 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|1,0,1]=4 1268 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|1,0,1]=4 1269 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|0,0,2]=4 1270 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [0,1,0,1,0,0|1,0,0]=3 1271 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,1,0,0|2,0,0]=4 1272 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,1,0,0|1,0,1]=4 1273 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,1,0,0|1,0,1]=4 1274 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,1,0,0|1,0,1]=4 1275 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,1,0,0|1,0,1]=4 1276 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,1,0,0|1,0,1]=4 1277 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,1,0,0|1,0,1]=4 1278 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,1,0,0|1,0,1]=4 1279 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,1,0,0|1,0,1]=4 1280 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,1,0,0|1,0,1]=4 1281 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,1,0,0|1,0,1]=4 1282 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,1,0,0|1,0,1]=4 1283 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,1,0,0|1,0,1]=4 1284 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|1,0,1]=4 1285 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|0,0,0]=2 1286 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,1,0,0|1,0,0]=3 1287 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|1,0,0]=3 1288 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,1,0,0|1,0,0]=3 1289 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,1,0,0|2,0,0]=4 1290 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,1,0,0|2,0,0]=4 1291 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,1,0,0|2,0,0]=4 1292 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,1,0,0|2,0,0]=4 1293 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,1,0,1,0,0|2,0,0]=4 1294 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,1,0,0|0,0,2]=4 1295 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,1,0,0|0,0,2]=4 1296 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 F52110 [0,1,0,1,0,0|1,0,1]=4 1297 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|1,0,1]=4 1298 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|1,0,1]=4 1299 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|1,0,0]=3 1300 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,1,0,0|2,0,0]=4 1301 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,1,0,0|2,0,0]=4 1302 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,1,0,0|1,0,1]=4 1303 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,1,0,0|1,0,1]=4 1304 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,1,0,0|1,0,1]=4 1305 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,1,0,0|1,0,1]=4 1306 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,1,0,0|1,0,1]=4 1307 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,1,0,0|1,0,1]=4 1308 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,1,0,0|1,0,1]=4 1309 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,1,0,0|1,0,1]=4 1310 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,1,0,0|1,0,1]=4 1311 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,1,0,0|1,0,1]=4 1312 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,1,0,0|1,0,1]=4 1313 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,1,0,0|1,0,1]=4 1314 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,1,0,0|1,0,1]=4 1315 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,1,0,0|1,0,1]=4 1316 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|1,0,0]=3 1317 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|1,0,0]=3 1318 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,1,0,0|1,0,0]=3 1319 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,1,0,0|1,0,0]=3 1320 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,1,0,0|1,0,0]=3 1321 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,1,0,0|1,0,0]=3 1322 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,1,0,0|2,0,0]=4 1323 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,1,0,0|2,0,0]=4 1324 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,1,0,0|2,0,0]=4 1325 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,1,0,0|1,0,0]=3 1326 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,1,0,0|1,0,0]=3 1327 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,1,0,0|1,0,0]=3 1328 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,1,0,0|0,0,2]=4 1329 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,1,0,0|0,0,2]=4 1330 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,1,0,0|0,0,2]=4 1331 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,1,0,0|1,0,1]=4 1332 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,1,0,0|1,0,1]=4 1333 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,1,0,0|0,0,2]=4 1334 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,1,0,0|1,0,0]=3 1335 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,1,0,0|1,0,1]=4 1336 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,1,0,0|1,0,1]=4 1337 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,1,0,0|1,0,1]=4 1338 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,1,0,0|1,0,1]=4 1339 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,1,0,0|1,0,1]=4 1340 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,1,0,0|1,0,1]=4 1341 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,1,0,0|1,0,1]=4 1342 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,1,0,0|1,0,1]=4 1343 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,1,0,0|1,0,1]=4 1344 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,1,0,0|1,0,1]=4 1345 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,1,0,0|1,0,1]=4 1346 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,1,0,0|1,0,1]=4 1347 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,1,0,0|1,0,1]=4 1348 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,1,0,0|1,0,1]=4 1349 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,1,0,0|1,0,0]=3 1350 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,1,0,0|1,0,0]=3 1351 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,1,0,0|1,0,0]=3 1352 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,1,0,0|1,0,0]=3 1353 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,1,0,0|1,0,0]=3 1354 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,1,0,0|1,0,0]=3 1355 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,1,0,0|0,0,2]=4 1356 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,1,0,0|0,0,2]=4 1357 B12R2.1282 CC1=CC=CC(C2(N)CC2)=C1 N10818 [0,1,0,1,0,0|1,0,1]=4 1358 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 28122 [0,1,0,1,0,0|1,0,1]=4 1359 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19006 [0,1,0,1,0,0|1,0,1]=4 1360 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19042 [0,1,0,1,0,0|1,0,1]=4 1361 B12R2.88 CC1(C2=C(Br)C=CC=C2)CC1 W16978 [0,1,0,1,0,0|1,0,1]=4 1362 B12R2.88 CC1=C(C2(N)CC2)C=CC=C1 C78262 [0,1,0,1,0,0|1,0,1]=4 1363 B12R2.88 NC1(C2=C(Br)C=CC=C2)CC1 C78336 [0,1,0,1,0,0|1,0,1]=4 1364 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,1,0,0|1,0,1]=4 1365 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,1,0,0|1,0,1]=4 1366 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,1,0,0|0,0,2]=4 1367 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|0,0,0]=2 1368 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 P10726 [0,1,0,1,0,0|1,0,0]=3 1369 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [0,1,0,1,0,0|1,0,0]=3 1370 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,1,0,0|1,0,1]=4 1371 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,1,0,0|1,0,1]=4 1372 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,1,0,0|1,0,1]=4 1373 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,1,0,0|1,0,1]=4 1374 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,1,0,0|1,0,1]=4 1375 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,1,0,0|1,0,1]=4 1376 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|0,0,0]=2 1377 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,1,0,0|1,0,0]=3 1378 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,1,0,0|1,0,0]=3 1379 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 D96489 [0,1,0,1,0,0|2,0,0]=4 1380 B12R2.203 O=C1NCC2=CC=CC(F)=C12 90046 [0,1,0,1,0,0|1,0,0]=3 1381 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,1,0,0|1,0,0]=3 1382 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [0,1,0,1,0,0|1,0,0]=3 1383 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [0,1,0,1,0,0|1,0,0]=3 1384 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,1,0|2,0,0]=4 1385 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,1,0|2,0,0]=4 1386 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,1,0|2,0,0]=4 1387 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,1,0|2,0,0]=4 1388 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,1,0|2,0,0]=4 1389 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,1,0|2,0,0]=4 1390 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,1,0|2,0,0]=4 1391 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,0,0,0,0,2|0,0,2]=4 1392 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,0,2|0,0,0]=2 1393 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,0,0,0,0,2|2,0,0]=4 1394 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,0,0,0,2|2,0,0]=4 1395 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,0,0,0,2|1,0,0]=3 1396 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,0,0,0,0,2|2,0,0]=4 1397 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,0,0,0,0,2|1,0,0]=3