0 B13R2.32 NC1=C(Cl)C2=CC=NC=C2C=C1 29460 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.32 NC1=C2C=CC=CC2=NC=C1Br 18886 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.32 NC1=CC=C2C=NC=CC2=C1Br 29346 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 26007 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 O=C1C(I)=COC2=CC=CC=C12 24890 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.1613 BrCC1=C2C=CC=CC2=CC=C1 14038 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.1613 BrCC1=C2C=CN=CC2=CC=C1 24064 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.1613 COC1=C2C=NC=CC2=CC=C1 26278 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.1613 N#CC1=CC=CC2=C1C=NC=C2 26346 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.1613 N#CC1=CN=CC2=C1C=CC=C2 20735 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.1613 NCC1=C2C=CC=CC2=CN=C1 19370 [1,0,0,0,0,0|1,0,0]=2 11 B13R2.1613 NCC1=C2C=CC=NC2=CC=C1 17784 [1,0,0,0,0,0|1,0,0]=2 12 B13R2.1613 NCC1=C2C=CN=CC2=CC=C1 19371 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 17783 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.1613 NCC1=NC=CC2=C1C=CC=C2 17794 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 19502 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 19418 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 17125 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.1613 O=CC1=C2C=NC=CC2=CC=C1 19424 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 26129 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 14334 [1,0,0,0,0,0|1,0,0]=2 21 B13R2.1613 OCC1=CC=CC2=C1C=CN=C2 26175 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.135 CC1=C(CN)N2C=CC=CC2=N1 19313 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 30865 [1,0,1,0,0,0|1,0,1]=4 24 B12R2.24 BrC1=CC2=C(C=CN=C2)C=C1 26209 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.24 BrC1=CC2=CC=CN=C2C=C1 27487 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 26169 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 31005 [2,0,0,0,0,0|1,0,0]=3 28 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 27080 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 26112 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 CC1=CC2=CC=CN=C2C=C1 29945 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.24 CC1=CC2=NC=CC=C2C=C1 29946 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.24 CC1=CC=C2C=CC=CC2=N1 29988 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 27488 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 NC1=CC2=C(C=C1)C=NC=C2 19167 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.24 NC1=CC2=CC=CN=C2C=C1 24522 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.24 NC1=CC=C2C=CC=CC2=N1 22501 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 19215 [2,0,0,0,0,0|1,0,0]=3 38 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 31004 [2,0,0,0,0,0|1,0,0]=3 39 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 28531 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.1081 BrC1=CC=CC2=C1C=NC=C2 17388 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.1081 BrC1=CC=CC2=C1N=CC=C2 28174 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 28274 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.1081 CC1=C2C=CC=CC2=CC=N1 29987 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 29989 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.1081 CC1=CC=CC2=CC=CN=C12 29947 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 27081 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 20622 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 ClC1=CC=CC2=C1C=CN=C2 19107 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 26902 [2,0,0,0,0,0|1,0,0]=3 50 B12R2.1081 FC1=CC=CC2=CC=CN=C12 26145 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 01579 [2,0,0,0,0,0|0,0,0]=2 52 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 26088 [2,0,0,0,0,0|1,0,0]=3 53 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 19417 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.1081 NC1=CC=CC2=CC=CN=C12 29949 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.1081 NC1=CC=CC2=CN=CC=C12 27089 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.1081 NC1=CC=CC2=NC=CC=C12 29948 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.1081 NC1=CC=NC2=CC=CC=C12 17384 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 27490 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.1081 O=C1C=COC2=C1C=CC=C2 26004 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 00844 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 26114 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 24649 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 OC1=CC=CC2=C1C=NC=C2 23179 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.1081 OC1=CC=CC2=CC=CN=C12 00372 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.1081 OC1=CC=CC2=CC=CN=C12 22079 [2,0,0,0,0,0|2,0,0]=4 66 B14R1.482 CCOC1=C(\C=C\C(=O)O)C=CC=C1 27419 [0,1,1,0,0,0|2,0,0]=4 67 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O 02868 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.1131 CC1=CC=C(CO)C2=C1C=CC=C2 18300 [1,1,0,0,0,0|1,0,0]=3 69 B14R2.1131 OCC1=C2C=CC=CC2=C(Br)C=C1 18291 [1,1,0,0,0,0|1,0,0]=3 70 B14R2.1146 CC1=NC2=C(C=CC=C2)C(CO)=C1 19533 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.1146 COC1=C2C=CC=CC2=CC(N)=C1 05287 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.1146 O=C1C=C(CBr)C2=C(C=CC=C2)N1 28755 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.7150 CNCC1=CC=CC2=C1N=CC=C2 18209 [1,1,0,0,0,0|1,0,0]=3 74 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 26903 [1,1,0,0,0,0|1,0,1]=4 75 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 29557 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 01420 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.31359 C[C@@H](N)C1=C2C=CC=CC2=CC=C1 24587 [1,1,0,0,0,0|0,0,0]=2 78 B14R2.31359 C[C@H](N)C1=C2C=CC=CC2=CC=C1 24589 [1,1,0,0,0,0|0,0,0]=2 79 B14R2.31359 NC(=S)C1=C2C=CN=CC2=CC=C1 19423 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.31359 NC(=S)C1=C2N=CC=CC2=CC=C1 19508 [1,1,0,0,0,0|1,0,1]=4 81 B14R2.31359 NC(=S)C1=CC=NC2=C1C=CC=C2 19504 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.31359 OB(O)C1=C2C=CC=CC2=CC=C1 31926 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 17107 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 18755 [0,0,1,1,0,0|1,0,1]=4 85 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 22059 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 21185 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.1 NCC1=C2C=CC=CN2C=N1 19368 [1,0,0,0,1,0|2,0,0]=4 88 B12R2.1 NCC1=C2C=CC=CN2N=C1 19374 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.1 NCC1=CN=C2C=CC=CN12 19366 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.1 NCC1=CN=C2C=CC=CN12 19367 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.1 NCC1=NNC2=CC=CC=C21 19307 [1,0,0,0,1,0|2,0,0]=4 92 B12R2.1 OCC1=CNC2=C1C=CC=C2 21896 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.315 CCC1=CC=CC2=C1NC=C2 21177 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.315 NCC1=CC=CC2=C1C=CN2 17321 [1,0,0,0,1,0|1,0,0]=3 95 B12R2.315 NCC1=CC=CC2=C1NC=C2 17916 [1,0,0,0,1,0|1,0,0]=3 96 B12R2.315 NCC1=CC=CC2=CC=NN21 19375 [1,0,0,0,1,0|2,0,0]=4