0 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,0,0,0,0,0|2,0,2]=4 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|1,0,0]=1 11 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,0,0,0,0|0,0,0]=0 24 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,0,0,0,0|0,0,0]=0 25 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,0,0,0,0|2,1,1]=4 30 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 OCCC1=CN=CN=C1 27368 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|1,0,1]=3 87 B11R1.7 CC(C)(CN)C1=NC=CC=C1 D83381 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.7 NCC(F)(F)C1=CC=CC=C1 P11064 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.7 NCC(F)(F)C1=NC=CC=C1 C11454 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P10677 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P19948 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.7 OCC(F)(F)C1=NC=CC=C1 37503 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,1,0,0,0,0|0,0,1]=2 112 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,0,0,0,0|0,0,2]=3 114 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 D81372 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15256 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.22 N#C[C@@H](O)C1=CC=C(Br)C=C1 W15228 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 F16973 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 N11110 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 Y11040 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11194 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12228 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12229 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12625 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.23 C#C[C@@H](O)C1=CC=CC(F)=C1 79796 [0,1,0,0,0,0|0,0,2]=3 195 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13444 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.23 N[C@@H](CO)C1=CC(Br)=CN=C1 Y12868 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12116 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12865 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,0|0,0,1]=2 258 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,1,0,0,0,0|0,0,2]=3 270 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 C73732 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,0,0,0,0|1,0,2]=4 314 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,0,0,0,0|1,0,2]=4 315 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|1,0,1]=3 316 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|1,0,2]=4 317 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|2,0,0]=3 318 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|2,0,0]=3 319 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,1,0,0|2,0,0]=3 320 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,1,0,0|2,0,1]=4 321 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|2,0,0]=3 322 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,1,0,0|2,0,0]=3 323 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,1,0,0|2,0,0]=3 324 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,1,0,0|2,0,0]=3 325 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,0|1,0,2]=4 326 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,0|1,0,2]=4 327 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|1,0,2]=4 328 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,1,0,0|2,0,1]=4 329 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|0,0,0]=1 330 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,1,0,0|1,0,0]=2 331 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,1,0,0|1,0,0]=2 332 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,1,0,0|1,0,0]=2 333 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,1,0,0|1,0,0]=2 334 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,1,0,0|1,0,0]=2 335 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,0,0,1,0,0|2,0,0]=3 336 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,0]=3 337 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,0]=3 338 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,0]=3 339 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,0]=3 340 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,0]=3 341 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|2,0,0]=3 342 B11R2.40 NC1(C2=CC=CN=C2)CC1 E10032 [0,0,0,1,0,0|2,0,0]=3 343 B11R2.40 NC1(C2=CC=NC=C2)CC1 38295 [0,0,0,1,0,0|2,0,0]=3 344 B11R2.40 NC1(C2=NC=CC=C2)CC1 59909 [0,0,0,1,0,0|2,0,0]=3 345 B11R2.40 NC1(C2=NC=CC=N2)CC1 P11939 [0,0,0,1,0,0|3,0,0]=4 346 B11R2.40 NC1(C2=NC=CC=N2)CC1 P15891 [0,0,0,1,0,0|3,0,0]=4 347 B11R2.40 NC1(C2=NC=CN=C2)CC1 50223 [0,0,0,1,0,0|3,0,0]=4 348 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [0,0,0,1,0,0|3,0,0]=4 349 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,0,0,1,0,0|2,0,0]=3 350 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,0,0,1,0,0|2,0,0]=3 351 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|1,0,0]=2 352 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [0,0,0,1,0,0|3,0,0]=4 353 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [0,0,0,1,0,0|3,0,0]=4 354 B9R1.11 C#C[C@@H](O)C1=CSC=C1 AC4459 [0,0,0,0,1,0|1,0,2]=4 355 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,0,0,0,1,0|1,0,2]=4 356 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,0,0,0,1,0|2,0,0]=3 357 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,0,0,0,1,0|3,0,0]=4 358 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,0,0,0,1,0|3,0,0]=4 359 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,0,0,0,1,0|2,0,0]=3 360 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,0,0,0,0,1|0,0,2]=3 361 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,0,0,0,0,1|1,0,2]=4 362 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,0,1|1,0,2]=4 363 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,0,0,0,0,1|2,0,1]=4 364 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,0,0,0,0,1|2,0,0]=3 365 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,0,1|1,0,2]=4 366 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,0,0,0,0,1|1,0,2]=4 367 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,0,0,0,0,1|1,0,2]=4 368 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,0,0,0,0,1|3,0,0]=4 369 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,0,1|1,0,2]=4 370 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,0,0,0,0,1|1,0,2]=4 371 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,0,0,0,0,1|2,0,0]=3 372 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 OCC1=CN=NC=C1 37054 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,1,0]=4 377 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,1,0]=4 378 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,1,0]=4 379 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 380 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 P15879 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.28 CC(C)(N)C1=CC=NC=C1 F17065 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.61 C[C@H](Cl)C1=C(F)C=NC=C1 W10402 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.61 NC1=C(C(F)F)C=CC=C1 72620 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [1,1,0,0,0,0|0,0,0]=2 504 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y10857 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y11465 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 74119 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11225 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y12112 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13390 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13391 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [1,1,0,0,0,0|0,0,0]=2 556 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [1,1,0,0,0,0|0,0,0]=2 557 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [1,1,0,0,0,0|0,0,0]=2 558 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|0,0,2]=4 563 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|0,0,2]=4 600 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,1,0,0,0,0|0,0,2]=4 601 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|0,0,0]=2 603 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|0,0,0]=2 604 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|0,0,0]=2 628 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|0,0,0]=2 629 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|0,0,0]=2 633 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,1,0,0,0,0|0,0,2]=4 635 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.17 NCCOC1=CC=NC=C1 F31099 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,1,0,0,0,0|0,0,1]=3 642 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,1,0,0,1,0|2,0,0]=4 649 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,1,0,0,1,0|2,0,0]=4 650 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,1,0,0,1,0|2,0,0]=4 652 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,1,0,0,1,0|2,0,0]=4 654 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,1,0,0,0,1|0,0,2]=4 655 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,1|1,0,0]=3 656 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,1|1,0,0]=3 657 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,1,0,0,0,1|0,0,2]=4 658 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,0,1|1,0,0]=3 659 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,0,1|1,0,0]=3 660 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,1|1,0,1]=4 661 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,1|0,0,2]=4 662 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,1|0,0,2]=4 664 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,1|0,0,2]=4 665 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,1|0,0,2]=4 666 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,1,0,0,0,1|0,0,2]=4 667 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3803 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3971 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,1,0,0,0,1|2,0,0]=4 673 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,1|0,0,2]=4 679 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,1|0,0,2]=4 680 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,1,0,0,0,1|1,0,0]=3 685 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,1,0,0,0,1|1,0,1]=4 686 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,1,0,0,0,1|1,0,0]=3 687 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,1,0,0,0,1|0,0,2]=4 688 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [0,1,0,0,0,1|0,0,2]=4 689 B12R1.371 C[C@@H](CN)OC1=C(Cl)C=CC=C1 AR3974 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W10956 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.10 CC(C)(CO)C1=CC=CC(Br)=C1 C76612 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 35720 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.39 C#CC[C@](C)(O)C1=CN=CC=C1 AC7139 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.39 C#CC[C@](C)(O)C1=NC=CC=C1 AC6331 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 C75972 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.195 CC(C)(CO)C1=C(Cl)C=CC=C1 P11280 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.195 CCS(=O)(=O)C1=C(N)C=CC=C1 D84300 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.475 C#C[C@](O)(CC)C1=CC=CC=C1 65662 [0,2,0,0,0,0|0,0,0]=2 701 B12R1.12 N#C[C@@H](CO)C1=CC=C(Br)C=C1 86253 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.478 N#C[C@@H](C(=O)O)C1=CC=CC=C1 AC8944 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.478 NC(=O)[C@H](CO)C1=CC=CC=C1 F16398 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15276 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|0,0,2]=4 715 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|0,0,2]=4 717 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [0,2,0,0,0,0|0,0,2]=4 721 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 D81217 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y14253 [0,2,0,0,0,0|1,0,1]=4 724 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y14262 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y14259 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|0,0,2]=4 734 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [0,2,0,0,0,0|0,0,2]=4 735 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y14263 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y14267 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y14254 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,2,0,0,0,0|0,0,2]=4 747 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [0,2,0,0,0,0|0,0,2]=4 748 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y14255 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y14266 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.308 NC1=C([C@@H](N)CCO)C=CC=C1 51813 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [0,2,0,0,0,0|0,0,2]=4 766 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y12655 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13063 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13303 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13037 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13064 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13312 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12062 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12063 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,2,0,0,0,0|0,0,2]=4 782 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,2,0,0,0,0|0,0,2]=4 790 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,2,0,0,0,0|0,0,2]=4 794 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,2,0,0,0,0|0,0,2]=4 795 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12560 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12561 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13008 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13260 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13283 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13357 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.367 CCC(=O)C1=CC(C)=C(F)C=C1 N14308 [0,2,0,0,0,0|0,0,2]=4 804 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [0,2,0,0,0,0|0,0,2]=4 805 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13259 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13282 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N11061 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12884 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11975 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11976 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y12956 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10297 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10298 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11774 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11775 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y13035 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.367 CN[C@@H](C)C1=CC(C)=C(Br)C=C1 Y12534 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.367 CN[C@@H](C)C1=CC(C)=C(Br)C=C1 Y12535 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.367 CN[C@@H](C)C1=CC(C)=C(Br)C=C1 Y13177 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.367 NC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 AR2885 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.367 NC[C@H](O)C1=CC(F)=C(F)C=C1 C77696 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12589 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y11512 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y12734 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 I10854 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 N11443 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y10365 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y10735 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y11112 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(F)C=C1 F16945 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(F)C=C1 N11098 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 N11284 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12071 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12072 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12454 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y10327 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y11190 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.367 OC[C@H](Cl)C1=CC(Cl)=C(Cl)C=C1 58258 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 89816 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.367 O[C@@H](CCl)C1=CC(Cl)=C(Cl)C=C1 58260 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y12565 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y12566 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y13423 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y13424 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(F)=C1 Y11554 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(F)=C1 Y12453 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.1703 CC1=CC(C)=C([C@@H](N)CO)C=C1 N11078 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12304 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12305 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12992 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 T70851 [0,2,0,0,0,0|0,0,2]=4 852 B12R1.1703 CCC(=O)C1=C(F)C=C(Cl)C=C1 55949 [0,2,0,0,0,0|0,0,2]=4 853 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y10891 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y11488 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 N11313 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 Y11983 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 Y11984 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 F21058 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 Y10296 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 Y11754 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Br)C=C1 Y12563 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Br)C=C1 Y12564 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Br)C=C1 Y12968 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 F16990 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 W19249 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 Y11110 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(F)C=C1 Y12156 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(F)C=C1 Y12157 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(O)C=C1 Y12208 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(O)C=C1 Y12209 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 N11181 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11436 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11600 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 12102 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 A11909 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO 90494 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO 90495 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO 90496 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO N11446 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO Y11191 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.24 CC1=CC=CC([C@@H](N)CO)=C1Cl Y12302 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.24 CC1=CC=CC([C@@H](N)CO)=C1Cl Y12303 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.24 CC1=CC=CC([C@@H](N)CO)=C1Cl Y13299 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.24 CCC(=O)C1=CC=CC(F)=C1C W10818 [0,2,0,0,0,0|0,0,2]=4 885 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F Y11776 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F Y12448 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.24 CC[C@H](O)C1=CC=CC(F)=C1C W10780 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.24 N#C[C@@H](O)C1=CC=CC(Cl)=C1Cl W15227 [0,2,0,0,0,0|1,0,1]=4 889 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F N11440 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F N11445 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F Y10836 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F Y12982 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [0,2,0,0,0,0|0,0,2]=4 894 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y11951 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y13383 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y14748 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11171 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11172 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 N12777 [0,2,0,0,0,0|0,0,2]=4 900 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12451 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12452 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12973 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.354 CC1=CC([C@@H](N)CO)=C(C)C=C1 Y12056 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.354 CC1=CC([C@@H](N)CO)=C(C)C=C1 Y12057 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.354 CC1=CC([C@@H](N)CO)=C(C)C=C1 Y12284 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.354 CCC(=O)C1=C(C)C=CC(Cl)=C1 W17965 [0,2,0,0,0,0|0,0,2]=4 911 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 F19670 [0,2,0,0,0,0|0,0,2]=4 912 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 C14451 [0,2,0,0,0,0|0,0,2]=4 913 B12R1.354 CCC(=O)C1=C(O)C=CC(Cl)=C1 W10407 [0,2,0,0,0,0|0,0,2]=4 914 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12263 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13195 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13210 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13294 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y11974 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12040 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13015 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.354 CC[C@H](N)C1=C(C)C=CC(C)=C1 Y12442 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.354 CC[C@H](N)C1=C(C)C=CC(C)=C1 Y12443 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12600 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13263 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13286 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12154 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12155 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12930 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11972 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11973 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12947 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 S10040 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y11981 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y11982 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y13005 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 W17964 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.354 CN[C@@H](C)C1=C(C)C=CC(F)=C1 Y12196 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.354 CN[C@@H](C)C1=C(C)C=CC(F)=C1 Y12197 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.354 CN[C@@H](C)C1=C(C)C=CC(F)=C1 Y12607 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.354 N[C@@H](CO)C1=C(Br)C=CC(F)=C1 Y11674 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.354 N[C@@H](CO)C1=C(Br)C=CC(F)=C1 Y12070 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.354 N[C@@H](CO)C1=C(Br)C=CC(F)=C1 Y13021 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14317 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 N17025 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 N17026 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y12073 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y12074 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y12994 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y14861 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12159 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12938 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(Br)=C1 N11208 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N10532 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N11176 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 Y10339 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 Y10340 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 Y12064 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 N17051 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 Y13824 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 N12933 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12541 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12893 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 N10826 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y10262 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y11761 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y11762 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y12258 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.358 NC[C@H](O)C1=CC(Cl)=CC(Cl)=C1 AR2882 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y11503 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y12562 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y13281 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(Cl)=C1 29449 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(Cl)=C1 Y11113 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(F)=C1 Y12081 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(F)=C1 Y12082 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(F)=C1 Y13250 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 F16909 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 N11444 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 Y10330 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 Y10658 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 Y11622 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 Y10305 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 Y11076 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 I11000 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10279 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10692 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11031 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11911 [0,2,0,0,0,0|1,0,0]=3 989 B12R1.435 CN[C@@H](C)C1=CC=CC(OC)=C1 Y12193 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11092 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11180 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N13158 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10659 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10687 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 D81282 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.435 N#CC1=CC=CC([C@@H](N)CO)=C1 Y10872 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.435 N#CC1=CC=CC([C@@H](N)CO)=C1 Y12978 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,2,0,0,0,0|0,0,2]=4 999 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [0,2,0,0,0,0|0,0,2]=4 1000 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31035 [0,2,0,0,0,0|1,0,0]=3 1001 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 F31052 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F 20356 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F 29907 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F F13087 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F Y10324 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F T72326 [0,2,0,0,0,0|1,0,0]=3 1008 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10282 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10283 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10315 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11966 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11967 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y12173 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.77 CN[C@@H](C)C1=C(OC)C=CC=C1 Y12190 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 A12272 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y10337 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11070 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11299 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.77 COC1=C([C@@H](O)CN)C=CC=C1 AR2903 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CO D81368 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y12854 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y13254 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.3441 CC[C@H](N)C1=C(Br)C=CC=C1F Y13276 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11511 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11553 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11578 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1Cl Y11580 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11509 [0,2,0,0,0,0|1,0,0]=3 1029 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11510 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11569 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11576 [0,2,0,0,0,0|1,0,0]=3 1032 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y11965 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.3441 CC[C@H](N)C1=C(Cl)C=CC=C1F Y12449 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.3441 CC[C@H](N)C1=C(F)C=NC=C1F Y12847 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.3441 N[C@@H](CO)C1=C(Br)C=CC=C1Cl Y13038 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.3441 N[C@@H](CO)C1=C(Br)C=CC=C1Cl Y13065 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.3441 N[C@@H](CO)C1=C(Br)C=CC=C1Cl Y13311 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.3441 N[C@@H](CO)C1=C(Cl)C=CC=C1F Y12050 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.3441 N[C@@H](CO)C1=C(Cl)C=CC=C1F Y12051 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.3441 N[C@@H](CO)C1=C(Cl)C=CC=C1F Y12460 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.3441 N[C@@H](CO)C1=C(F)C=CC=C1F N12984 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.3441 N[C@@H](CO)C1=C(F)C=CC=C1F Y12282 [0,2,0,0,0,0|2,0,0]=4 1043 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,2]=4 1044 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|2,0,0]=4 1045 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [1,0,0,1,0,0|2,0,0]=4 1046 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [1,0,0,1,0,0|2,0,0]=4 1047 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|2,0,0]=4 1048 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|2,0,0]=4 1049 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|2,0,0]=4 1050 B10R2.7 C1=CN=C2CNCC2=C1 83068 [1,0,0,1,0,0|2,0,0]=4 1051 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [1,0,0,1,0,0|2,0,0]=4 1052 B10R2.32 O[C@H]1CCN2C=CN=C12 D85477 [0,0,0,1,1,0|2,0,0]=4 1053 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,0,0,1,0,1|1,0,0]=3 1054 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,0,0,1,0,1|1,0,0]=3 1055 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,1|1,0,0]=3 1056 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,0,1,0,1|0,0,2]=4 1057 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,1|0,0,2]=4 1058 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,1|2,0,0]=4 1059 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,1|2,0,0]=4 1060 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,1|2,0,0]=4 1061 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,1|2,0,0]=4 1062 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,1,0,1|2,0,0]=4 1063 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,1,0,1|2,0,0]=4 1064 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,1,0,1|2,0,0]=4 1065 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,1|1,0,0]=3 1066 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,1|1,0,0]=3 1067 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,1|1,0,0]=3 1068 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,1|1,0,0]=3 1069 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,1|1,0,0]=3 1070 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,0,0,1,0,1|2,0,0]=4 1071 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,0,0,1,0,1|2,0,0]=4 1072 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,0,0,1,0,1|2,0,0]=4 1073 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 26882 [0,0,0,1,0,1|1,0,1]=4 1074 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,0,0,1,0,1|2,0,0]=4 1075 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,0,0,1,0,1|0,0,1]=3 1076 B12R2.32 CCC1=NC2=CC=CN=C2O1 AC1601 [0,0,0,1,0,1|1,0,1]=4 1077 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [0,0,0,1,0,1|1,0,1]=4 1078 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 AC2205 [0,0,0,1,0,1|1,0,1]=4 1079 B12R2.32 NCC1OC2=C(C=CC=C2)O1 AC2204 [0,0,0,1,0,1|1,0,0]=3 1080 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,0,0,1,0,1|2,0,0]=4 1081 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,0,0,1,0,1|2,0,0]=4 1082 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,0,0,1,0,1|1,0,0]=3 1083 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,0,0,1,0,1|0,0,0]=2 1084 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,0,0,1,0,1|2,0,0]=4 1085 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,0,0,1,0,1|1,0,0]=3 1086 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [0,0,0,1,0,1|2,0,0]=4 1087 B12R2.48 C#CC1(C2=CC=CC=C2)CC1 C14707 [0,1,0,1,0,0|1,0,0]=3 1088 B12R2.48 N#CC1(C2=CN=CC=C2)CC1 C13684 [0,1,0,1,0,0|2,0,0]=4 1089 B12R2.48 NCC1(C2=CC=CC=C2)CC1 31434 [0,1,0,1,0,0|1,0,0]=3 1090 B12R2.48 OCC1(C2=CC=CC=C2)CC1 71001 [0,1,0,1,0,0|0,0,0]=2 1091 B12R2.116 FC1(C2=CC=CC=C2)CNC1 85150 [0,1,0,1,0,0|1,0,0]=3 1092 B12R2.116 NC1(C2=CC=CC=C2)COC1 59767 [0,1,0,1,0,0|1,0,0]=3 1093 B12R2.116 NC1(C2=CN=CC=C2)COC1 P16017 [0,1,0,1,0,0|2,0,0]=4 1094 B12R2.116 OC1(C2=CC=CC=C2)CNC1 38604 [0,1,0,1,0,0|0,0,0]=2 1095 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,1,0,0|0,0,0]=2 1096 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,1,0,0|1,0,1]=4 1097 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,1,0,1,0,0|1,0,1]=4 1098 B12R2.1 CCC1=NNC2=C1C=CC=C2 C10488 [0,1,0,1,0,0|1,0,1]=4 1099 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,1,0,0|1,0,0]=3 1100 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [0,1,0,1,0,0|2,0,0]=4 1101 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,1,0,1,0,0|1,0,1]=4 1102 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,1,0,1,0,0|1,0,0]=3 1103 B12R2.1 OC[C@H]1COC2=C1C=CN=C2 F12475 [0,1,0,1,0,0|2,0,0]=4 1104 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [0,1,0,1,0,0|1,0,1]=4 1105 B12R2.2 C1=CC(C2OCCO2)=CN=C1 20730 [0,1,0,1,0,0|1,0,0]=3 1106 B12R2.2 C1=CC([C@H]2CCNC2)=CC=N1 65604 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,1,0,1,0,0|1,0,0]=3 1108 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,1,0,1,0,0|1,0,0]=3 1109 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,1,0,1,0,0|1,0,0]=3 1110 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,1,0,1,0,0|1,0,0]=3 1111 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,1,0,1,0,0|1,0,0]=3 1112 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,1,0,1,0,0|1,0,0]=3 1113 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,1,0,1,0,0|1,0,1]=4 1114 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [0,1,0,1,0,0|2,0,0]=4 1115 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [0,1,0,1,0,0|2,0,0]=4 1116 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [0,1,0,1,0,0|2,0,0]=4 1117 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [0,1,0,1,0,0|2,0,0]=4 1118 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [0,1,0,1,0,0|2,0,0]=4 1119 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [0,1,0,1,0,0|2,0,0]=4 1121 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [0,1,0,1,0,0|2,0,0]=4 1122 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [0,1,0,1,0,0|2,0,0]=4 1124 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 AR1448 [0,1,0,1,0,0|2,0,0]=4 1125 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,1,0,1,0,0|2,0,0]=4 1126 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,1,0,1,0,0|1,0,0]=3 1127 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,1,0,1,0,0|2,0,0]=4 1128 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,1,0,1,0,0|1,0,0]=3 1129 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,1,0,1,0,0|1,0,0]=3 1130 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,1,0,1,0,0|2,0,0]=4 1131 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,1,0,1,0,0|1,0,0]=3 1132 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,1,0,1,0,0|1,0,0]=3 1133 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,1,0,1,0,0|1,0,0]=3 1134 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,1,0,1,0,0|1,0,0]=3 1135 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,1,0,1,0,0|1,0,0]=3 1136 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [0,1,0,1,0,0|2,0,0]=4 1138 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,1,0,1,0,0|2,0,0]=4 1139 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,1,0,1,0,0|2,0,0]=4 1140 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,1,0,1,0,0|1,0,0]=3 1143 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,1,0,1,0,0|1,0,0]=3 1144 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,1,0,1,0,0|1,0,0]=3 1145 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,1,0,1,0,0|1,0,0]=3 1146 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 50286 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,1,0,1,0,0|1,0,0]=3 1148 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|1,0,0]=3 1149 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|1,0,0]=3 1150 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,1,0,1,0,0|0,0,0]=2 1151 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,1,0,1,0,0|0,0,0]=2 1152 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,1,0,1,0,0|1,0,0]=3 1153 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,1,0,1,0,0|0,0,0]=2 1154 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,1,0,1,0,0|0,0,0]=2 1155 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|0,0,0]=2 1156 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,1,0,0|0,0,2]=4 1157 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,1,0,1,0,0|1,0,0]=3 1158 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,1,0,1,0,0|1,0,0]=3 1159 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,1,0,1,0,0|1,0,0]=3 1160 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 29809 [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [0,1,0,1,0,0|2,0,0]=4 1162 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [0,1,0,1,0,0|2,0,0]=4 1165 B12R2.290 CC1(C2=CC=C(Br)C=C2)CC1 D85572 [0,1,0,1,0,0|1,0,0]=3 1166 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 28804 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 29864 [0,1,0,1,0,0|1,0,0]=3 1168 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 E10027 [0,1,0,1,0,0|1,0,0]=3 1169 B12R2.290 NC1(C2=NC=C(Br)C=C2)CC1 P19496 [0,1,0,1,0,0|2,0,0]=4 1170 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|1,0,0]=3 1171 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|1,0,0]=3 1172 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|0,0,0]=2 1173 B12R2.612 CC1=NC=C2C(=C1)CC[C@@H]2N 66134 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,1,0,0|1,0,0]=3 1175 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,1,0,0|1,0,0]=3 1176 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,1,0,0|1,0,0]=3 1177 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,1,0,0|1,0,0]=3 1178 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,1,0,0|1,0,0]=3 1179 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,1,0,0|1,0,0]=3 1180 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,1,0,0|1,0,0]=3 1181 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,1,0,0|1,0,0]=3 1182 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,1,0,0|1,0,0]=3 1183 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,1,0,0|1,0,0]=3 1184 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,1,0,0|1,0,0]=3 1185 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,1,0,0|1,0,0]=3 1186 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|1,0,0]=3 1187 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 67309 [0,1,0,1,0,0|2,0,0]=4 1188 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 Y10223 [0,1,0,1,0,0|2,0,0]=4 1189 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|0,0,2]=4 1193 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,1,0,0|0,0,0]=2 1195 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,1,0,0|0,0,0]=2 1196 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,1,0,1,0,0|1,0,0]=3 1197 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,1,0,1,0,0|1,0,0]=3 1198 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 F52110 [0,1,0,1,0,0|1,0,0]=3 1199 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 85616 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.2302 BrC1=CN=C(C2CCC2)C=C1 55809 [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 84084 [0,1,0,1,0,0|2,0,0]=4 1202 B12R2.2302 NC1=CC=C(C2COC2)C=C1 85368 [0,1,0,1,0,0|2,0,0]=4 1203 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|1,0,0]=3 1206 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|1,0,0]=3 1207 B12R2.132 NC1=CC2=C(C=C1)COB2O 70440 [0,1,0,1,0,0|2,0,0]=4 1208 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,1,0,0|1,0,0]=3 1209 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,1,0,0|1,0,0]=3 1210 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,1,0,0|1,0,0]=3 1211 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,1,0,0|1,0,0]=3 1212 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,1,0,0|1,0,0]=3 1213 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,1,0,0|1,0,0]=3 1214 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,1,0,0|1,0,0]=3 1215 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,1,0,0|1,0,0]=3 1216 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,1,0,0|1,0,0]=3 1217 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,1,0,0|1,0,0]=3 1218 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,1,0,0|1,0,0]=3 1219 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,1,0,0|1,0,0]=3 1220 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,1,0,0|1,0,0]=3 1221 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,1,0,0|1,0,0]=3 1222 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y14813 [0,1,0,1,0,0|2,0,0]=4 1223 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N10934 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.132 OB1OCC2=C1C=C(F)C=C2 W19032 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,1,0,0|0,0,0]=2 1227 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,1,0,0|0,0,0]=2 1228 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,1,0,0|0,0,0]=2 1229 B12R2.132 O[C@H]1CCC2=C1N=C(Br)C=C2 D79272 [0,1,0,1,0,0|1,0,0]=3 1230 B12R2.132 O[C@H]1CCC2=C1N=C(Cl)C=C2 N11829 [0,1,0,1,0,0|1,0,0]=3 1231 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,1,0,0|1,0,0]=3 1232 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,1,0,0|1,0,0]=3 1233 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,1,0,0|0,0,0]=2 1234 B12R2.196 C[C@H]1CNC2=C(N)C=CC=C21 P20144 [0,1,0,1,0,0|2,0,0]=4 1235 B12R2.196 NC1=CC=CC2=C1COB2O D78898 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,1,0,0|1,0,0]=3 1237 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,1,0,0|1,0,0]=3 1238 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,1,0,0|1,0,0]=3 1239 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,1,0,0|1,0,0]=3 1240 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,1,0,0|1,0,0]=3 1241 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,1,0,0|1,0,0]=3 1242 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,1,0,0|1,0,0]=3 1243 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,1,0,0|1,0,0]=3 1244 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,1,0,0|1,0,0]=3 1245 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,1,0,0|1,0,0]=3 1246 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,1,0,0|1,0,0]=3 1247 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,1,0,0|1,0,0]=3 1248 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,1,0,0|1,0,0]=3 1249 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,1,0,0|1,0,0]=3 1250 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11159 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11250 [0,1,0,1,0,0|2,0,0]=4 1252 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11240 [0,1,0,1,0,0|2,0,0]=4 1253 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N16512 [0,1,0,1,0,0|2,0,0]=4 1254 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11235 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N16511 [0,1,0,1,0,0|2,0,0]=4 1256 B12R2.196 OB1OCC2=C(F)C=CC=C12 N16983 [0,1,0,1,0,0|2,0,0]=4 1257 B12R2.196 O[C@H]1CCC2=C(Br)C=NC=C21 84236 [0,1,0,1,0,0|1,0,0]=3 1258 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,1,0,0|0,0,0]=2 1259 B12R2.196 O[C@H]1CCC2=C(Cl)C=CN=C21 26883 [0,1,0,1,0,0|1,0,0]=3 1260 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,1,0,0|0,0,0]=2 1261 B12R2.196 O[C@H]1COC2=C(Br)C=CC=C21 Y10971 [0,1,0,1,0,0|1,0,0]=3 1262 B12R2.1282 CC1=CC=CC(C2(N)CC2)=C1 N10818 [0,1,0,1,0,0|1,0,0]=3 1263 B12R2.1282 NC1(C2=CC(Br)=CN=C2)CC1 83706 [0,1,0,1,0,0|2,0,0]=4 1264 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 28122 [0,1,0,1,0,0|1,0,0]=3 1265 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 84228 [0,1,0,1,0,0|2,0,0]=4 1266 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 85615 [0,1,0,1,0,0|2,0,0]=4 1267 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19006 [0,1,0,1,0,0|1,0,0]=3 1268 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19042 [0,1,0,1,0,0|1,0,0]=3 1269 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 85611 [0,1,0,1,0,0|2,0,0]=4 1270 B12R2.88 CC1(C2=C(Br)C=CC=C2)CC1 W16978 [0,1,0,1,0,0|1,0,0]=3 1271 B12R2.88 CC1=C(C2(N)CC2)C=CC=C1 C78262 [0,1,0,1,0,0|1,0,0]=3 1272 B12R2.88 NC1(C2=C(Br)C=CC=C2)CC1 C78336 [0,1,0,1,0,0|1,0,0]=3 1273 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,1,0,0|1,0,0]=3 1274 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,1,0,0|1,0,0]=3 1275 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,1,0,0|0,0,0]=2 1276 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|0,0,2]=4 1277 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,1,0,0|1,0,0]=3 1278 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,1,0,0|1,0,0]=3 1279 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,1,0,0|1,0,0]=3 1280 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,1,0,0|1,0,0]=3 1281 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,1,0,0|1,0,0]=3 1282 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,1,0,0|1,0,0]=3 1283 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|0,0,2]=4 1284 B12R2.517 ClC1=C(C2CCC2)N=CC=C1 86870 [0,1,0,1,0,0|2,0,0]=4 1285 B12R2.517 ClC1=C(C2CNC2)C=CC=C1 85612 [0,1,0,1,0,0|2,0,0]=4 1286 B12R2.517 IC1=C(C2COC2)C=CC=C1 86794 [0,1,0,1,0,0|2,0,0]=4 1287 B8R1.7 CC(C)C1=CC=CO1 81450 [1,0,0,0,1,0|2,0,0]=4 1288 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,0,0,0,1,0|2,0,0]=4 1289 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,0,0,0,1,0|2,0,0]=4 1290 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,0,0,0,1,0|2,0,0]=4 1291 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,0,0,0,1,0|2,0,0]=4 1292 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,0,0,0,1,0|2,0,0]=4 1293 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,0,0,0,1,0|2,0,0]=4 1294 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,0,0,0,1,0|2,0,0]=4 1295 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [1,0,0,0,1,0|2,0,0]=4 1296 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [1,0,0,0,1,0|2,0,0]=4 1297 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,0,0,0,1,0|2,0,0]=4 1298 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [1,0,0,0,1,0|2,0,0]=4 1299 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [1,0,0,0,1,0|1,0,0]=3 1300 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [1,0,0,0,1,0|2,0,0]=4 1301 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,0,1,0|2,0,0]=4 1302 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,0,1,0|2,0,0]=4 1303 B8R1.8 CNCC1=COC=C1 AC5678 [1,0,0,0,1,0|2,0,0]=4 1304 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,1,0|2,0,0]=4 1305 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,1,0|2,0,0]=4 1306 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,0,1,0|2,0,0]=4 1307 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,1,0|2,0,0]=4 1308 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,1,0|2,0,0]=4 1309 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,1,0|2,0,0]=4 1310 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,0,2|0,0,2]=4 1311 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,0,0,0,0,2|2,0,0]=4 1312 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,0,0,0,0,2|1,0,0]=3