0 B10R1.18 CC(=O)CC1=NC=CC=C1 F-123574 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=NC=CN=C1 F-123603 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(N)CC1=CC=CC=C1 F-396381 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 CC(N)CC1=NC=CC=C1 F-123576 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 CC(N)CC1=NC=CN=C1 F-123601 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(O)CC1=NC=CC=C1 F-123575 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(O)CC1=NC=CN=C1 F-123602 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=NC=CN=C1 F-405924 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 N#CCC1=CN=CC=C1 F-368836 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.20 CN(C)CC1=CC=C(N)C=C1 F-337614 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.20 CN(C)CC1=CN=C(Cl)C=C1 Z-006578 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 F-335603 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.20 NC(=S)NC1=CC=C(N)C=C1 F-277981 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 POD_63/0640 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 X-047955 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.36 CC(C)C(N)C1=CC=CC=C1 F-361520 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.40 CNC(C)CC1=NC=CC=C1 F-123577 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.40 CNC(C)CC1=NC=CN=C1 F-123600 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.40 NCC(=O)NC1=CC=CC=C1 F-367373 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.86 CC(=O)NC1=CC=CC=C1N F-137844 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.86 CC1=CC=CN=C1CC(C)N F-123581 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.86 CC1=CC=CN=C1CC(C)O F-123582 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.86 NC1=CC=CC=C1CC(=O)O F-335979 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 M-057888 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.157 CC(=O)CC1=NC(C)=CC=C1 F-123593 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 F-123584 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.157 CC(C)CC1=CC(N)=CC=C1 F-453380 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.157 CC1=CC(CC(C)N)=NC=C1 F-123586 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.157 CC1=CC(CC(C)O)=NC=C1 F-123585 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.157 CC1=CC=CC(CC(C)N)=N1 F-123591 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.157 CC1=CC=CC(CC(C)O)=N1 F-123592 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 F-335651 [0,1,0,0,0,0|1,0,1]=3 32 B9R1.6 CC(N)C1=CC=NC=C1 Q-019938 [0,0,0,0,1,0|1,0,0]=2 33 B9R1.6 CC(N)C1=CN=CC=C1 F-203581 [0,0,0,0,1,0|1,0,0]=2 34 B9R1.6 CC(N)C1=NC=CC=C1 F-206695 [0,0,0,0,1,0|1,0,0]=2 35 B9R1.13 CC(N)CN1C=CC=N1 F-368987 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.13 CC(O)CN1C=CC=N1 F-368985 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.91 CC(=O)CSC1=CC=CC=C1 M-366620 [0,0,0,0,0,1|1,0,1]=3 38 B11R1.91 CC(=O)CSC1=NC=CC=C1 F-396334 [0,0,0,0,0,1|2,0,1]=4 39 B11R1.91 CC(C)NCC1=CC=CN=C1 F-162129 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.91 CC(N)COC1=CC=CC=C1 F-369336 [0,0,0,0,0,1|0,0,0]=1 41 B11R1.91 CC(N)CSC1=CC=CC=C1 F-368983 [0,0,0,0,0,1|0,0,0]=1 42 B11R1.91 CC(O)CSC1=CC=CC=C1 F-368978 [0,0,0,0,0,1|1,0,0]=2 43 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z-097232 [0,0,0,0,0,1|1,0,1]=3 44 B8R1.2 SCC1=CC=CN=C1 F-397069 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 SCC1=NC=CC=C1 F-397070 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.1 CCNC1=CC=C(Br)C=C1 C-086057 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.1 CCNC1=CC=C(C)C=C1 C-086048 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.1 CCNC1=CC=C(Cl)C=C1 C-086052 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 CCNC1=CC=C(F)C=C1 C-086058 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.1 COCC1=CC=C(N)C=C1 F-369205 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.4 CC1=CC=CN=C1CCN F-123630 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.4 CCNC1=C(Cl)C=CC=C1 C-086051 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.4 CNCC1=CC=CN=C1Cl F-405894 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.4 CNCC1=NC=CC=C1C F-405863 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.10 CC1=CC(CCN)=NC=C1 F-123631 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.10 CC1=CC=CC(CCN)=N1 F-123632 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.10 CCCC1=CC(N)=CC=C1 F-453379 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C-029533 [1,1,0,0,0,0|0,0,2]=4 59 B10R1.15 NCC(=O)C1=CC=CC=C1 POD_75/0279 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.17 CCNCC1=CC=CN=C1 M-872192 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.17 N#CCSC1=CC=CC=C1 Z-097233 [1,1,0,0,0,0|0,0,2]=4 62 B10R1.17 NCCSC1=NC=CC=N1 F-332760 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 F-369319 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F-332141 [0,1,0,0,1,0|1,0,1]=4 65 B10R1.113 CC(N)C1=CC(F)=CC=C1 F-368869 [0,1,0,0,1,0|0,0,0]=2 66 B10R1.113 CC(O)C1=CC(F)=CC=C1 F-367199 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.54 CC1=CC(CC(C)N)=NN1 F-405895 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 M-366673 [0,1,0,0,0,1|1,0,1]=4 69 B12R1.21 CC(C)OCC1=CC=C(N)C=C1 F-369207 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.21 CC(N)COC1=CC=C(F)C=C1 F-369341 [0,1,0,0,0,1|0,0,0]=2 71 B12R1.21 CC(N)CSC1=CC=C(Cl)C=C1 F-368981 [0,1,0,0,0,1|0,0,0]=2 72 B12R1.21 CC(O)CSC1=CC=C(Cl)C=C1 F-368980 [0,1,0,0,0,1|1,0,0]=3 73 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 F-369338 [0,1,0,0,0,1|0,0,0]=2 74 B12R1.21 CC1=CC=C(SCC(C)N)C=C1 F-368982 [0,1,0,0,0,1|0,0,0]=2 75 B12R1.21 CC1=CC=C(SCC(C)O)C=C1 F-368979 [0,1,0,0,0,1|1,0,0]=3 76 B12R1.21 CC1=CC=C(SCC(N)=O)C=C1 M-328798 [0,1,0,0,0,1|1,0,1]=4 77 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 POD_69/0202 [0,1,0,0,0,1|1,0,1]=4 79 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 Z-089123 [0,1,0,0,0,1|1,0,1]=4 80 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 C-017450 [0,1,0,0,0,1|1,0,1]=4 81 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 C-017390 [0,1,0,0,0,1|1,0,1]=4 82 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F-367352 [0,1,0,0,0,1|1,0,1]=4 83 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 F-379333 [0,1,0,0,0,1|1,0,1]=4 84 B12R1.226 NC(=O)COC1=CC=CC(N)=C1 F-361531 [0,1,0,0,0,1|1,0,1]=4 85 B12R1.4 CC(C)NC1=CC=C(C#N)C=C1 F-332573 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 F-393267 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 F-361525 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 F-361521 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 F-335591 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O F-020492 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.233 CN(C)CC1=CC=C(N)C=C1Br F-495760 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.32 CCNC(C)CC1=NC=CC=C1 F-123578 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.32 CCNC(C)CC1=NC=CN=C1 F-123599 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.32 NCCS(=O)CC1=CC=CC=C1 F-397007 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 F-335652 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.50 CNC(C)CC1=NC(C)=CC=C1 F-123590 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.50 CNC(C)CC1=NC=CC(C)=C1 F-123587 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 F-335638 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.50 NNC(=O)CC1=CC(Cl)=CC=C1 M-057257 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.371 CNC(C)CC1=NC=CC=C1C F-123580 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl M-272960 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.101 CC1=CC(CC(C)N)=NC(C)=C1 F-123596 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.101 CC1=CC(CC(C)O)=NC(C)=C1 F-123595 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.438 CC(C)OC1=CC=CC(C#N)=C1 F-332610 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.438 CC(C)OC1=CC=CC(CO)=C1 F-332801 [0,2,0,0,0,0|2,0,0]=4 106 B12R2.24 CC1=NC2=CC=CC=C2SC1 F-399780 [0,0,0,1,0,1|0,0,2]=4 107 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 POD_20/0974 [0,0,0,1,0,1|1,0,1]=4 108 B12R2.606 N1C(C)=NC2=C1C=CC(Cl)=C2 Z-040285 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.18 O=C1CC2=CC=CC=C2C1Br F-367238 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 Z-015723 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.202 CC1=NC2=CC=CC(Cl)=C2N1 F-443628 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.225 NC1=CC=CC=C1SC2CC2 F-332379 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.8 NCCC1=CC=CN1 F-453885 [1,0,0,0,1,0|1,0,0]=3 114 B8R1.8 NCCC1=CNN=C1 F-123616 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.7 CC(N)C1=CNC=C1 F-453905 [0,0,0,0,2,0|1,0,0]=3 116 B12R1.252 CC(C)CNCC1=CN=CC=C1 Z-006626 [0,0,0,0,0,2|2,0,0]=4