0 B12R1.252 O=C(O)CCSC1=NC=CC=N1 F-332763 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 O=C(O)CNCC1=CC=CC=C1 F-407625 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.28 C#CCNCC1=CC=CC=C1 Q-013171 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 CNCCSC1=CC=CC=C1 F-361498 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 ClCCSCC1=CC=CC=C1 F-369094 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 NCCCOC1=CC=CC=C1 F-332150 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 OCCSCC1=CC=CC=C1 F-369096 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 OCCSCC1=CC=CC=N1 E-003363 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 OCCSCC1=CC=CN=C1 E-003364 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 M-880280 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O F-312187 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 F-222692 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.513 NC(=O)CSCC1=CC=C(Cl)N=C1 F-368966 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.513 NC1=CC=C(OCCC(=O)O)C=C1 T-028796 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.513 O=C(O)CSCC1=CC=C(Cl)N=C1 F-368961 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.718 COC(=O)CCSC1=NC=CC=N1 F-332762 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 F-367357 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.718 NNC(=O)CNCC1=CC=CC=C1 F-406758 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.163 O=C1CCSC2=C(C=CC=C2)N1 F-416862 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.91 CC(=O)CSC1=CC=CC=C1 M-366620 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 CC(=O)CSC1=NC=CC=C1 F-396334 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.91 CC(O)CSC1=CC=CC=C1 F-368978 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z-097232 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.172 CC(=O)CSCC1=CC=CO1 F-396349 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.172 O=C(O)CCCC1=CNN=C1 F-405902 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.172 O=C(O)CSCC1=CC=CO1 F-332734 [0,0,0,0,1,0|2,0,0]=3 26 B12R1.1 CC1=CC=C(CSCCO)C=C1 E-003375 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.1 OCCSCC1=CC=C(F)C=C1 F-369101 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.8 CNCCSCC1=CC=CC=C1 F-361501 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.30 NCCCC(O)C1=CC=CC=C1 F-396603 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 M-366673 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 E-098362 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.21 CC1=CC=C(SCC(N)=O)C=C1 M-328798 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 POD_69/0202 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 Z-089123 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 C-017450 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 C-017390 [0,1,0,0,1,0|2,0,0]=4 38 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl F-361415 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.125 NC1=C(OCC(=O)[O-])C=CC=C1 POD_77/0647 [0,1,0,0,1,0|1,0,1]=4 40 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 F-393229 [0,1,0,0,1,0|2,0,0]=4 41 B12R1.226 NC(=O)COC1=CC=CC(N)=C1 F-361531 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 F-311958 [0,1,0,0,1,0|1,0,0]=3 43 B12R1.477 COC(=O)CSCC1=CC=CO1 F-332733 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.677 O=C(O)CCSCC1=CC=C(Cl)C=C1 F-332727 [0,1,0,0,0,1|0,0,0]=2 45 B14R1.3098 CS(=O)(=O)CCC(O)C1=CC=CC=C1 F-396372 [0,2,0,0,0,0|1,0,1]=4 46 B14R1.76 O=C(O)CCOC1=CC(CO)=CC=C1 F-332804 [0,2,0,0,0,0|1,0,0]=3 47 B14R1.76 O=CC1=CC(OCCC(=O)O)=CC=C1 F-332603 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.1025 CC1=CC(CSCC(=O)NN)=CC=C1 M-329891 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.1025 NNC(=O)CSCC1=CC(Cl)=CC=C1 M-191234 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.6072 NC1=CC=C(F)C=C1SCCC(=O)O F-416142 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.837 CC1=CC=CC=C1CSCC(=O)NN M-329641 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.837 NNC(=O)CSCC1=CC=CC=C1F M-329690 [0,2,0,0,0,0|2,0,0]=4 53 B14R1.4 N#CC1=CC=C(CSCC(=O)O)C=C1 Z-049553 [0,2,0,0,0,0|1,0,0]=3 54 B14R1.13 CC1=CC=C(CSCC(=O)NN)C=C1 M-368507 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.13 COC(=O)CSCC1=CC=C(Cl)C=C1 M-291305 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.13 NCC(=O)NCCC1=CC=C(Cl)C=C1 F-367359 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.13 NCC(=O)NCCC1=CC=C(F)C=C1 F-367339 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.13 NNC(=O)CSCC1=CC=C(F)C=C1 M-329893 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 M-966118 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 M-966115 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 F-367270 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.520 O=C(CCCl)NCCC1=CC=CC=C1 Q-059364 [0,2,0,0,0,0|2,0,0]=4 63 B12R2.41 C1=CC=C2OCCNCC2=C1 F-405897 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 POD_20/0974 [0,0,0,1,1,0|2,0,0]=4 65 B14R2.390 CC1=C2NC(=O)CCSC2=CC=C1 F-428610 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.390 O=C1CCSC2=C(N1)C(Cl)=CC=C2 F-416863 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.7974 CC1=CC=C2NC(=O)CCSC2=C1 F-416886 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.7974 O=C1CCSC2=C(C=CC(F)=C2)N1 F-416861 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 C-014832 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 F-452462 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.95 O=C(CS)N1CCC2=CC=CC=C21 F-399734 [0,1,0,1,0,0|1,1,0]=4 72 B10R1.18 CC(=O)CC1=NC=CC=C1 F-123574 [0,0,0,0,2,0|2,0,0]=4