0 B10R1.1 CCNC1=CC=C(Br)C=C1 C-086057 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.1 CCNC1=CC=C(C)C=C1 C-086048 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CCNC1=CC=C(Cl)C=C1 C-086052 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.1 CCNC1=CC=C(F)C=C1 C-086058 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.1 COCC1=CC=C(N)C=C1 F-369205 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 SCC1=CC=C(Cl)N=C1 F-397071 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.8 N#CCC1=CN=CC=C1 F-368836 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.1 CC1=CC=C(SCC#N)C=C1 F-332738 [0,1,0,0,0,0|1,0,2]=4 8 B11R1.1 CCCNC1=CC=C(Br)C=C1 C-086316 [0,1,0,0,0,0|1,1,0]=3 9 B11R1.1 CCCNC1=CC=C(C)C=C1 C-086307 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.1 CCCNC1=CC=C(Cl)C=C1 C-086311 [0,1,0,0,0,0|1,1,0]=3 11 B11R1.1 CCCNC1=CC=C(F)C=C1 C-086317 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.1 CCNCC1=CC=C(Cl)N=C1 F-368953 [0,1,0,0,0,0|2,1,0]=4 13 B11R1.1 CCOCC1=CC=C(N)C=C1 F-369206 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 M-514168 [0,1,0,0,0,0|0,1,2]=4 15 B11R1.1 NC1=CC=C(SCCO)C=C1 F-428588 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.1 [N-]=[N+]=NCC1=CC=C(Br)C=C1 F-369326 [0,1,0,0,0,0|1,1,1]=4 17 B11R1.20 CN(C)CC1=CC=C(N)C=C1 F-337614 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 F-335603 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.20 NC(=S)NC1=CC=C(N)C=C1 F-277981 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 POD_63/0640 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 X-047955 [0,1,0,0,0,0|1,1,1]=4 22 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 F-203572 [0,1,0,0,0,0|1,1,0]=3 23 B11R1.22 CCN(C)C1=CC=C(N)C=C1 F-443461 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 Z-043493 [0,1,0,0,0,0|0,1,1]=3 25 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 X-016601 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.81 CCNC1=C(C)C=C(C)C=C1 C-086055 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.81 N#CCC1=CC=C(Cl)C=C1Cl C-029795 [0,1,0,0,0,0|0,1,2]=4 28 B11R1.83 CCNC1=CC=C(OC)C=C1 C-086047 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.192 CCNC1=CC(C)=C(C)C=C1 C-086053 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 C-086063 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.192 CCOC1=CC(N)=C(Br)C=C1 F-443459 [0,1,0,0,0,0|2,1,0]=4 32 B11R1.192 CCOC1=CC(N)=C(Cl)C=C1 F-443460 [0,1,0,0,0,0|2,1,0]=4 33 B11R1.192 CCOC1=CC(N)=C(I)C=C1 F-443458 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.192 CCOC1=CC=C(O)C(N)=C1 F-494954 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.7 CC1=CC=C(CCN)N1 F-453891 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.7 CN1C=C(CCN)C=N1 F-405883 [0,0,0,0,1,0|3,0,0]=4 37 B8R1.2 SCC1=CC=CN=C1 F-397069 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 SCC1=NC=CC=C1 F-397070 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.3 CCC1=CC=C(CN)C=C1 F-452455 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.3 CSC1=CC=C(C#N)C=C1 F-453394 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.3 CSC1=CC=C(CN)C=C1 F-452459 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.3 N#CC1=CC=C(CN)C=C1 F-368585 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 F-415537 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F-332141 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.25 CC1=C(NN)C=CC(Br)=C1 F-435444 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.25 CC1=C(NN)C=CC(Cl)=C1 F-428545 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.25 CC1=CC(Br)=C(NN)C=C1 F-435443 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.176 CC1=CC=C(CN)C=C1F F-396671 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.176 CCC1=CC(N)=C(C)C=C1 F-453381 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.176 CCC1=CC=C(N)C(S)=C1 F-495550 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.176 N#CC1=CC(Cl)=C(F)C=C1 F-435529 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 F-452457 [1,1,0,0,0,0|0,1,0]=3 53 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 F-443344 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.4 CC1=CC=CN=C1CCN F-123630 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.4 CCNC1=C(Cl)C=CC=C1 C-086051 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.10 CC1=CC(CCN)=NC=C1 F-123631 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.10 CC1=CC=CC(CCN)=N1 F-123632 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.10 CCCC1=CC(N)=CC=C1 F-453379 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C-029533 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.15 NCC(=O)C1=CC=CC=C1 POD_75/0279 [1,1,0,0,0,0|0,0,1]=3 61 B10R1.17 CCNCC1=CC=CN=C1 M-872192 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.17 N#CCSC1=CC=CC=C1 Z-097233 [1,1,0,0,0,0|0,0,2]=4 63 B10R1.17 NCCSC1=NC=CC=N1 F-332760 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 F-369319 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.18 CC(N)CC1=CC=CC=C1 F-396381 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.18 CC(N)CC1=NC=CC=C1 F-123576 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.18 CC(N)CC1=NC=CN=C1 F-123601 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.18 CC(O)CC1=NC=CC=C1 F-123575 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.94 CC1=CC=C(CCN)N1C F-453892 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.96 CCC1=CC=C(CCN)N1 F-453898 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.1 C#CCNCC1=CC=C(Br)C=C1 F-426599 [0,2,0,0,0,0|1,1,0]=4 72 B12R1.1 C#CCNCC1=CC=C(Cl)C=C1 F-426598 [0,2,0,0,0,0|1,1,0]=4 73 B12R1.1 CC1=CC=C(CSCCCl)C=C1 F-369097 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.1 CC1=CC=C(CSCCN)C=C1 F-332715 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.1 CC1=CC=C(CSCCO)C=C1 E-003375 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.1 CC1=CC=C(OCCCN)C=C1 M-418758 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.1 CC1=CC=C(SCCCN)C=C1 F-369456 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.1 CNCCSC1=CC=C(C)C=C1 F-361499 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.1 CNCCSC1=CC=C(Cl)C=C1 F-361500 [0,2,0,0,0,0|0,1,0]=3 80 B12R1.1 FC1=CC=C(CSCCCl)C=C1 F-369103 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.1 N#CCSCC1=CC=C(Cl)C=C1 F-332726 [0,2,0,0,0,0|0,1,1]=4 82 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 F-332155 [0,2,0,0,0,0|0,1,0]=3 83 B12R1.1 NCCCOC1=CC=C(F)C=C1 F-332162 [0,2,0,0,0,0|0,0,0]=2 84 B12R1.1 NCCCSC1=CC=C(Cl)C=C1 F-369457 [0,2,0,0,0,0|0,1,0]=3 85 B12R1.1 NCCCSC1=CC=C(F)C=C1 F-369462 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.1 NCCSCC1=CC=C(Cl)C=C1 F-332717 [0,2,0,0,0,0|0,1,0]=3 87 B12R1.1 NCCSCC1=CC=C(F)C=C1 F-332719 [0,2,0,0,0,0|0,0,0]=2 88 B12R1.1 OCCSCC1=CC=C(F)C=C1 F-369101 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 F-352939 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.16 NCCC(O)C1=CC=C(Cl)C=C1 F-396614 [0,2,0,0,0,0|0,1,0]=3 91 B12R1.16 NCCC(O)C1=CC=C(F)C=C1 F-396613 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.21 CC(C)OCC1=CC=C(N)C=C1 F-369207 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.21 CC(N)COC1=CC=C(F)C=C1 F-369341 [0,2,0,0,0,0|0,0,0]=2 94 B12R1.21 CC(N)CSC1=CC=C(Cl)C=C1 F-368981 [0,2,0,0,0,0|0,1,0]=3 95 B12R1.21 CC(O)CSC1=CC=C(Cl)C=C1 F-368980 [0,2,0,0,0,0|1,1,0]=4 96 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 F-369338 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.21 CC1=CC=C(SCC(C)N)C=C1 F-368982 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.21 CC1=CC=C(SCC(C)O)C=C1 F-368979 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.21 CC1=CC=C(SCC(N)=O)C=C1 M-328798 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 POD_69/0202 [0,2,0,0,0,0|0,1,1]=4 102 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 Z-089123 [0,2,0,0,0,0|0,1,1]=4 103 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 C-017450 [0,2,0,0,0,0|0,1,1]=4 104 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 C-017390 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.49 NCC(=O)NC1=CC=C(Cl)C=C1 F-367380 [0,2,0,0,0,0|0,1,1]=4 106 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F-367385 [0,2,0,0,0,0|0,0,1]=3 107 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O F-020492 [0,2,0,0,0,0|0,0,1]=3 108 B12R1.69 CCCNC1=C(C)C=C(C)C=C1 C-086314 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.69 CCCNC1=C(F)C=C(N)C=C1 F-331723 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.69 CCCNC1=CC=C(F)C=C1N F-331671 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.69 NC1=CC=C(SCCO)C(Cl)=C1 F-366027 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.71 CCCNC1=CC=C(C#N)C=C1 F-332574 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.71 CCCNC1=CC=C(OC)C=C1 C-086306 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.385 CC1=C(N)C=CC(SCCO)=C1 F-428607 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.385 CCCCC1=CC=C(N)C(S)=C1 F-495584 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.385 CCCNC1=CC(C)=C(C)C=C1 C-086312 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.385 CCCNC1=CC(Cl)=C(Cl)C=C1 C-086322 [0,2,0,0,0,0|1,1,0]=4 118 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 F-361525 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 F-361521 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 Q-004186 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 X-015860 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.112 CCOC1=C(C#N)C=C(F)C=C1 F-369195 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.112 CCOC1=C(C=O)C=C(F)C=C1 F-369162 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.112 CCOC1=C(CN)C=C(F)C=C1 F-369174 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.112 CCOC1=C(CO)C=C(F)C=C1 F-369168 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.30 NCC1=C(O)C=CC(F)=C1 F-369188 [0,0,1,1,0,0|1,0,1]=4 127 B8R1.8 NCCC1=CC=CN1 F-453885 [1,0,0,0,1,0|1,0,0]=3 128 B8R1.8 NCCC1=CNN=C1 F-123616 [1,0,0,0,1,0|2,0,0]=4