0 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.36 CC1=CC2=C(C=N1)NN=C2 BLN00020 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.36 CC1=CC=C2NN=CC2=N1 BLN00044 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.36 NC1=NC2=C(C=N1)CCC2 CBR00289 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.36 NC1=NC=C2CCOC2=N1 CBR00170 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [0,0,0,0,0,0|3,0,1]=4 12 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.44 CSC1=NC=C2C=NNC2=N1 ANV00067 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O T164534 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl JRD0183 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N JRD0185 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.246 CC1=NC2=C(C=CS2)C(=N1)Cl JRD0215 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.246 CC1=NC2=C(C=NN2)C(=N1)O PH018689 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.246 CC1=NC2=C(CCC2)C(=N1)Cl CBR01615 [0,1,0,0,0,0|1,0,0]=2 20 B12R2.246 CC1=NC2=C(SC=C2)C(=N1)Cl CBR01727 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.246 ClC1=NC2=C(CNC2)C(=N1)Cl PHB00104 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.246 OC1=NC(=C2CSCC2=N1)O T135305 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.246 OC1=NC(=NC2=C1SCC2)S S216747 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,0,1,0,0,0|3,0,0]=4 33 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.10 CCNC1=NC(=NC=C1)Cl CBR00491 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,0,1,0,0,0|1,1,0]=3 39 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.10 CSCC1=NC=CC(=N1)Cl S294187 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.25 CC1=NC(=C(C=N1)C#N)N CDS005325 [0,0,1,0,0,0|2,0,1]=4 44 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,0,1,0,0,0|3,0,0]=4 46 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,0,1,0,0,0|2,1,0]=4 47 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,0,1,0,0,0|3,0,0]=4 48 B10R2.2 NC1=NC2=C(S1)CCC2 S454753 [0,0,0,0,1,0|3,0,0]=4 49 B12R2.24 CC1=CC=C2CCCNC2=N1 CDS020000 [0,0,0,0,0,1|2,0,0]=3 50 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.24 IC1=CC=C2OCCCC2=N1 ADE000008 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.24 SC1=NC2=C(C=N1)CCCC2 S215570 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,0,1,0,0,0|1,0,0]=3 55 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,1,0,0,0|1,0,0]=3 59 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,1,0,0,0|1,1,0]=4 60 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,1,0,0,0|1,1,0]=4 61 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [1,0,1,0,0,0|0,1,0]=3 65 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,0,1,0,0,0|1,0,0]=3 68 B9R1.2 CSC1=NC(=NC=N1)N CBR00308 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [1,0,1,0,0,0|1,0,1]=4 70 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [1,0,1,0,0,0|1,1,0]=4 78 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [1,0,1,0,0,0|1,0,0]=3 79 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [1,0,1,0,0,0|1,1,0]=4 81 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [1,0,1,0,0,0|1,0,0]=3 82 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.81 CCCC1=C(N=C(N=C1)C)Cl CBR00552 [0,1,1,0,0,0|1,0,0]=3 85 B11R1.81 COCC1=C(N=C(N=C1)C)O PH003344 [0,1,1,0,0,0|0,1,0]=3 86 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [0,1,1,0,0,0|1,1,0]=4 88 B11R1.34 COCC1=CC(=NC(=N1)S)O CDS001184 [0,1,1,0,0,0|1,1,0]=4 89 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.464 CC1=C(C(=NC(=N1)O)O)CO R434728 [0,1,1,0,0,0|1,1,0]=4 92 B11R1.167 CC1=CN=C(N=C1C(C)C)Cl PH018547 [0,1,1,0,0,0|2,0,0]=4 93 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,1,0,0,1,0|1,0,0]=3 94 B11R2.191 NCC1=NNC2=C1CCC2 CBR01350 [0,1,0,0,1,0|2,0,0]=4 95 B13R2.328 CC1=NC(=C2CNCCC2=N1)O PH017969 [0,1,0,0,0,1|1,0,0]=3 96 B13R2.328 ClC1=NC(=C2CCCCC2=N1)Cl CDS007330 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.328 NC1=NC2=C(CCCC2)C(=N1)O CBR02012 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.328 OC1=NC2=C(CCCC2)C(=N1)O S215899 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.654 COC1=NC2=C(SCC2)C(=N1)O S217484 [0,2,0,0,0,0|2,0,0]=4 100 B13R2.654 CSC1=NC(=C2CSCC2=N1)O S216291 [0,2,0,0,0,0|0,0,0]=2 101 B13R2.654 CSC1=NC(=C2SCCC2=N1)O S215708 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.3791 CC1=CC=C2CCC(C2=N1)(C)C T187674 [0,2,0,0,0,0|2,0,0]=4 103 B13R2.623 CNC1=C2CCCC2=NC(=N1)Cl CBR00165 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.7 CNCC1=NC(=NO1)C CBR01478 [0,0,1,0,1,0|2,0,0]=4 105 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,0,1,0,1,0|2,0,0]=4 106 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,0,1,0,1,0|1,1,0]=4 107 B9R1.22 CC1=NN(C(=N1)CCl)C CBR02108 [0,0,1,0,1,0|2,0,0]=4 108 B9R1.22 CC1=NN(C=C1CCl)C CBR01550 [0,0,1,0,1,0|2,0,0]=4 109 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,0,1,0,1,0|1,1,0]=4 110 B9R1.132 CC1=C(C=NN1C)CCl CBR01537 [0,0,1,0,1,0|2,0,0]=4 111 B9R1.27 CC1=NNC(=C1CN)C CBR00698 [0,0,1,0,1,0|2,0,0]=4 112 B9R1.27 CC1=NNC(=C1CN)C OTV000648 [0,0,1,0,1,0|2,0,0]=4 113 B9R1.27 CC1=NNC(=C1CO)C CBR01589 [0,0,1,0,1,0|1,1,0]=4 114 B9R1.27 CC1=NOC(=C1CBr)C CDS019604 [0,0,1,0,1,0|2,0,0]=4 115 B9R1.27 CC1=NOC(=C1CN)C CBR01039 [0,0,1,0,1,0|2,0,0]=4 116 B9R1.27 CC1=NOC(=C1CN)C CDS016657 [0,0,1,0,1,0|2,0,0]=4 117 B9R2.3 C1=C2CNCC2=NN1 MNO000144 [1,0,0,0,1,0|1,0,1]=4 118 B9R2.3 C1=NNC2=C1CCC2 CBR01038 [1,0,0,0,1,0|1,0,1]=4 119 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [1,0,0,0,0,1|2,0,0]=4 120 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [1,0,0,0,0,1|2,0,0]=4 121 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [1,0,0,0,0,1|2,0,0]=4 122 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [1,0,0,0,0,1|2,0,0]=4