0 B11R1.91 CC(=O)CSC1=CC=CC=C1 M-366620 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)CSC1=NC=CC=C1 F-396334 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 CC(=O)CSC1=NC=CC=N1 F-396332 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(N)COC1=CC=CC=C1 F-369336 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 CC(N)CSC1=CC=CC=C1 F-368983 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 CC(O)CSC1=CC=CC=C1 F-368978 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z-097232 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 N#CCSC1=CC=CC=C1 Z-097233 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 F-369319 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 M-366673 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 POD_22/0305 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.21 CC(O)CSC1=CC=C(Cl)C=C1 F-368980 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 E-098362 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.21 CC1=CC=C(SCC(C)O)C=C1 F-368979 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.21 CC1=CC=C(SCC(N)=O)C=C1 M-328798 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 POD_69/0202 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 Z-089123 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 C-017450 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 C-017390 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.27 COC(=O)CSC1=NC=CC=N1 M-604849 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F-367352 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.27 NCC(=O)NCC1=CN=CC=C1 F-367362 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl F-361415 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.125 NC1=C(OCC(=O)[O-])C=CC=C1 POD_77/0647 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 F-393229 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.226 NC(=O)COC1=CC=CC(N)=C1 F-361531 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.226 NC(=O)\C=C\C1=CC(Br)=CC=C1 F-416284 [0,1,0,0,0,0|1,0,2]=4 28 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 F-311958 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.226 O=C(Cl)\C=C\C1=CC(Br)=CC=C1 F-416283 [0,1,0,0,0,0|1,0,2]=4 30 B12R2.24 CC1=NC2=CC=CC=C2SC1 F-399780 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.24 ClC1=NC2=CC=CC=C2SC1 F-333012 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 POD_20/0974 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.18 CC(=O)CC1=NC=CC=C1 F-123574 [0,0,0,0,1,0|2,0,0]=3 34 B10R1.18 CC(=O)CC1=NC=CN=C1 F-123603 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.18 CC(N)CC1=CC=CC=C1 F-396381 [0,0,0,0,1,0|2,0,1]=4 36 B10R1.18 CC(O)CC1=NC=CC=C1 F-123575 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.252 O=C(O)CCSC1=NC=CC=N1 F-332763 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.252 O=C(O)CNCC1=CC=CC=C1 F-407625 [0,0,0,0,0,1|0,0,0]=1 39 B11R1.1 NC1=CC=C(SCCO)C=C1 F-428588 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.16 NCCC(O)C1=CC=CC=C1 F-396612 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.28 C#CCNCC1=CC=CC=C1 Q-013171 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.28 CNCCSC1=CC=CC=C1 F-361498 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.28 ClCCSCC1=CC=CC=C1 F-369094 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.28 NCCCOC1=CC=CC=C1 F-332150 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.28 OCCSCC1=CC=CC=C1 F-369096 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.28 OCCSCC1=CC=CC=N1 E-003363 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.28 OCCSCC1=CC=CN=C1 E-003364 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 F-335603 [0,1,0,0,1,0|1,0,0]=3 49 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 X-047955 [0,1,0,0,1,0|0,0,0]=2 50 B11R1.86 CC(=O)NC1=CC=CC=C1N F-137844 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.86 NC1=CC=CC=C1CC(=O)O F-335979 [0,1,0,0,1,0|0,0,0]=2 52 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 M-057888 [0,1,0,0,1,0|0,0,0]=2 53 B11R1.157 CC(=O)CC1=NC(C)=CC=C1 F-123593 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 F-123584 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 F-335651 [0,1,0,0,1,0|1,0,0]=3 56 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 M-880280 [0,1,0,0,0,1|0,0,0]=2 57 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O F-312187 [0,1,0,0,0,1|0,0,0]=2 58 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 F-222692 [0,1,0,0,0,1|0,0,0]=2 59 B13R1.513 NC(=O)CSCC1=CC=C(Cl)N=C1 F-368966 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.513 NC1=CC=C(OCCC(=O)O)C=C1 T-028796 [0,1,0,0,0,1|0,0,0]=2 61 B13R1.513 O=C(O)CSCC1=CC=C(Cl)N=C1 F-368961 [0,1,0,0,0,1|1,0,0]=3 62 B13R1.718 COC(=O)CCSC1=NC=CC=N1 F-332762 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 F-367357 [0,1,0,0,0,1|1,0,0]=3 64 B13R1.718 NNC(=O)CNCC1=CC=CC=C1 F-406758 [0,1,0,0,0,1|1,0,0]=3 65 B13R1.3 CCC1=CC=C(OCC(=O)Cl)C=C1 F-393230 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.3 NC(=O)COC1=CC=C(CO)C=C1 F-443583 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.3 NCC1=CC=C(OCC(N)=O)C=C1 F-361543 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.14 CC1=CC=C(SCC(=O)NN)C=C1 F-332739 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.14 CNC(=O)COC1=CC=C(N)C=C1 F-335697 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.14 NCC(=O)NCC1=CC=C(Cl)C=C1 F-367354 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.14 NCC(=O)NCC1=CC=C(F)C=C1 F-367356 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 F-332740 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O F-361377 [0,2,0,0,0,0|0,0,0]=2 74 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O F-361376 [0,2,0,0,0,0|0,0,0]=2 75 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)Cl F-361428 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.133 CC(OC1=CC=C(N)C=C1)C(=O)O F-311908 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.133 CC1=CC=C(CC(=O)C(=O)O)C=C1 POD_45/0405 [0,2,0,0,0,0|0,0,1]=3 78 B13R1.133 CC1=CC=C(CC(C)C(=O)O)C=C1 F-361375 [0,2,0,0,0,0|0,0,0]=2 79 B13R1.133 CC1=CC=C(OC(C)C(=O)Cl)C=C1 F-361418 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 F-393416 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 POD_45/0398 [0,2,0,0,0,0|0,0,1]=3 82 B13R1.164 CC1=CC=C(OCC(N)=O)C(C)=C1 R-077966 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.164 NC(=O)COC1=C(Br)C=C(Cl)C=C1 X-086052 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.164 NC(=O)COC1=C(Cl)C=C(Br)C=C1 M-101590 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.164 O=C(Cl)COC1=C(Br)C=C(Cl)C=C1 F-498548 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.164 O=C(Cl)COC1=C(Cl)C=C(Br)C=C1 F-498551 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 F-443418 [0,2,0,0,0,0|0,0,2]=4 88 B13R1.511 CC1=C(N)C=C(OCC(=O)O)C=C1 F-393452 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.511 CC1=C(N)C=CC(OCC(=O)O)=C1 M-968936 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.511 CC1=CC(OCC(=O)Cl)=CC=C1Cl E-082365 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.15 CNC(=O)COC1=CC=CC(N)=C1 F-361532 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.15 COC(=O)COC1=CC(N)=CC=C1 F-311957 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 F-367265 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 Z-007736 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.42 O=C(COC1=CC=CC=C1)N=C=S F-443879 [0,2,0,0,0,0|1,1,0]=4 96 B13R1.528 NCC(=O)NCC1=C(Cl)C=CC=C1 F-367355 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.148 CC(CC1=CC(Cl)=CC=C1)C(=O)O F-361387 [0,2,0,0,0,0|0,0,0]=2 98 B13R1.148 CC(OC1=CC(Cl)=CC=C1)C(=O)Cl F-361427 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.148 CC(OC1=CC=CC(N)=C1)C(=O)O F-311909 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.148 CC1=CC=CC(OC(C)C(=O)Cl)=C1 F-361417 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.202 CC(CC1=C(Cl)C=CC=C1)C(=O)O F-361386 [0,2,0,0,0,0|0,0,0]=2 102 B13R1.202 CC(OC1=C(Br)C=CC=C1)C(=O)O M-230605 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.202 CC(OC1=C(Cl)C=CC=C1)C(=O)Cl F-361426 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.202 CC1=C(OC(C)C(=O)Cl)C=CC=C1 F-361416 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)Cl F-445839 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O M-230748 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(N)=O F-445838 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 X-076549 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 F-361475 [0,2,0,0,0,0|0,0,0]=2 110 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 F-369012 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.713 CCN(CC(=O)O)C1=CC=CC=C1 F-412047 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.3787 CC1=CC=CC(C)=C1OCC(N)=O M-170280 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.643 NC(=O)COC1=CC(CO)=CC=C1 M-589338 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.643 NC(=O)COC1=CC=CC(C=O)=C1 F-443584 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.643 NCC1=CC(OCC(N)=O)=CC=C1 F-361555 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.643 O=C(O)COC1=CC=CC(CO)=C1 F-332803 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.643 O=CC1=CC(OCC(=O)O)=CC=C1 M-405317 [0,2,0,0,0,0|1,0,0]=3 118 B13R1.3420 CC1=CC(C)=CC(OCC(N)=O)=C1 R-077661 [0,2,0,0,0,0|2,0,0]=4 119 B11R2.20 C1=CC=C2SCC=NC2=C1 F-399779 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.163 O=C1CCSC2=C(C=CC=C2)N1 F-416862 [0,0,0,1,0,1|1,0,0]=3 121 B13R2.155 NC1=CC=C2SCC(=O)NC2=C1 H-073318 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.155 O=C1CSC2=CC=C(Cl)C=C2N1 F-431859 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 POD_28/0548 [0,1,0,1,0,0|0,0,2]=4 124 B13R2.5179 CC1=C2OCC(=O)NC2=CC=C1 F-431845 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.162 CC1=C2NC(=O)CSC2=CC=C1 F-428609 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.162 O=C1CSC2=C(N1)C(Cl)=CC=C2 F-416859 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.3683 CC1=CC=C2NC(=O)CSC2=C1 F-416885 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.3683 O=C1CSC2=C(C=CC(Cl)=C2)N1 T-013101 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.3683 O=C1CSC2=C(C=CC(F)=C2)N1 F-416860 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.13 O=C(O)CN1C=CC=N1 T-070194 [0,0,0,0,2,0|2,0,0]=4