0 B12R1.21 C(C(=O)O)=CC1=CC=C(Br)C=C1 CS-W013013 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 CS-B1377 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 CS-W019863 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.1 CCCOC1=CC=C(N)C=C1 CS-0038837 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.1 COCCC1=CC=C(O)C=C1 CS-M3678 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 CS-W008606 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 CS-W008390 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 CS-D0913 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS-D0634 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 CS-B1573 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 CS-W022747 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS-0008411 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O CS-W009177 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O CS-W007615 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Cl)C=C1 CS-W005300 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 CS-W019815 [0,0,0,1,0,0|1,0,2]=4 20 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 CS-B0104 [0,0,0,1,0,0|1,0,0]=2 21 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 CS-0028773 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS-W008979 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 CS-W010778 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.1 C=CCC1=CC=C(C)C=C1 CS-0109480 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [2,0,0,0,0,0|0,0,2]=4 28 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O CS-0041637 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-0042547 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O CS-0041636 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(=N)O CS-W015584 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS-0019256 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 CS-W017867 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS-W016980 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 CS-D0633 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 CS-B0762 [0,1,0,0,1,0|1,1,0]=4 49 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 CS-W022899 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.19 CC(=O)NC1=CC=C(C)C(Cl)=C1 CS-M1325 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Cl)=C1 CS-W020073 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 CS-0020117 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS-0059256 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(Cl)C=C1 CS-W005720 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS-W005447 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS-W005090 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS-W015389 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 CS-D1185 [0,1,0,0,0,1|2,0,0]=4 60 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 CS-W004836 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 CS-W007671 [0,2,0,0,0,0|0,0,0]=2 62 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O CS-0011211 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.6049 N[C@@H](CC1=CC=C(F)C=C1F)C(=O)O CS-0063150 [0,2,0,0,0,0|2,0,0]=4 64 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 CS-0096854 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 CS-D0208 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.132 O=C1OCC2=CC=C(I)C=C12 CS-0041355 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 CS-W008941 [0,0,0,1,1,0|2,0,0]=4 68 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 CS-W008657 [0,0,0,1,1,0|2,0,0]=4 69 B14R2.134 COC1=CC2=C(C=C1)CCC(O)=N2 CS-0043696 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [0,0,0,0,2,0|1,0,0]=3 71 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [0,0,0,0,2,0|1,0,0]=3 72 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [0,0,0,0,2,0|1,0,0]=3 73 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [0,0,0,0,2,0|2,0,0]=4 74 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [0,0,0,0,2,0|2,0,0]=4 75 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS-W018071 [0,0,0,0,2,0|1,1,0]=4 76 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [0,0,0,0,2,0|2,0,0]=4 77 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,0,0,0,2,0|2,0,0]=4 78 B12R1.252 O=C(O)CCNC1=CC=CC=C1 CS-W021779 [1,0,0,0,0,1|1,0,0]=3