0 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 P39821 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 P39820 [0,0,0,0,0,0|0,2,2]=4 2 B14R2.20 O=C1CC(C2=CC=C(O)C=C2)CN1 L19829 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [1,0,0,0,0,0|0,0,2]=3 4 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 P39998 [1,0,0,0,0,0|0,1,2]=4 5 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 O34051 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 Q54186 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.12 BrC1=CC=C(C2=COC=N2)C=C1 O32395 [1,0,0,0,0,0|0,1,2]=4 9 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 O28942 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.12 ClC1=CC=C(C2CCNC2)C=C1 P42312 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.299 NC1=NC(C2=CC=C(Cl)C(Cl)=C2)=CS1 M23309 [0,1,0,0,0,0|0,1,2]=4 12 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,0,1,0,0,0|2,1,0]=4 13 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,0,1,0,0,0|2,1,0]=4 14 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,0,1,0,0,0|2,1,0]=4 15 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 P41704 [0,0,1,0,0,0|3,0,0]=4 17 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 P40045 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 P41709 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [0,0,1,0,0,0|3,0,0]=4 20 B13R2.147 CC1=CC=C(C2CC(=O)N2)C=C1 P39794 [0,0,0,0,1,0|2,0,1]=4 21 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,0,0,0,1,0|2,1,0]=4 22 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 L20848 [0,0,0,0,1,0|1,1,1]=4 23 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 P39793 [0,0,0,0,1,0|1,0,1]=3 24 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 P35036 [0,0,0,0,1,0|1,1,1]=4 25 B15R2.3 NC1=NC=C(C2=CC=C(Cl)C=C2)C=C1 P35844 [0,0,0,0,0,1|1,0,2]=4 26 B15R2.28 NC1=NC=CC(C2=CC=C(Cl)C=C2)=N1 P41655 [0,0,0,0,0,1|1,0,2]=4 27 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,0,1,0,0,0|1,0,1]=4 28 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 P42110 [0,1,1,0,0,0|2,0,0]=4 29 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 P37123 [0,1,1,0,0,0|2,0,0]=4 30 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Cl)C=C1 P38715 [0,1,1,0,0,0|2,0,0]=4 31 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 P36475 [0,1,1,0,0,0|2,0,0]=4 32 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 O34419 [0,0,1,1,0,0|2,0,0]=4 33 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,0,1,0,1,0|2,0,0]=4 34 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [0,0,1,0,1,0|1,0,0]=3 35 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [0,0,1,0,1,0|1,1,0]=4 36 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [0,0,1,0,1,0|2,0,0]=4 37 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 O28109 [0,0,1,0,1,0|2,0,0]=4 40 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [1,0,0,0,1,0|1,0,1]=4 41 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [1,0,0,0,1,0|1,0,1]=4 42 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [1,0,0,0,1,0|1,0,1]=4 43 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [1,0,0,0,1,0|2,0,0]=4 44 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [1,0,0,0,1,0|1,0,1]=4 45 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [1,0,0,0,1,0|2,0,0]=4 46 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 G-7440 [1,0,0,0,1,0|0,1,1]=4 47 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [0,0,0,0,2,0|1,0,1]=4 48 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 O34315 [0,0,0,0,2,0|0,1,1]=4 49 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 Q69959 [0,0,0,0,2,0|0,1,1]=4 50 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 Q69961 [0,0,0,0,2,0|0,0,1]=3 51 B12R2.79 NC1CC1C2=CC=C(F)C=C2 O34585 [0,0,0,0,2,0|0,1,1]=4 52 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 O34571 [0,0,0,0,2,0|0,1,1]=4 53 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 O34573 [0,0,0,0,2,0|0,1,1]=4 54 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [0,0,0,0,2,0|1,0,1]=4 55 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [1,0,0,0,0,1|2,0,0]=4 56 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [1,0,0,0,0,1|1,0,1]=4