0 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 01-1180 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 025488S [0,0,0,0,0,0|0,0,0]=0 2 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 CS-703 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 CS-684 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 01-1015 [0,0,0,0,0,0|1,0,2]=3 5 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 CS-655 [0,0,0,0,0,0|1,0,2]=3 6 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 04-1808 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 028825 [1,0,0,0,0,0|0,0,0]=1 8 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 09-673 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 CS-736 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.21 CC(=O)OOC1=CC=C(N)C=C1 19-582 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 26-3837 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 08-10413 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 026133 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 06-688 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 06-689 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 CS-606 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 26-883 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 09-668 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 01-952 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 21-519 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 19-2793 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 09-670 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 06-008 [1,0,0,0,0,0|1,0,2]=4 24 B12R1.71 COC1=CC=C(CCC#N)C=C1 CS-706 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.71 COC1=CC=C(OCC#N)C=C1 CS-685 [1,0,0,0,0,0|2,0,1]=4 26 B14R1.2 CC(=O)CC(=O)C1=CC=C(C#N)C=C1 08-10507 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 04-2137 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 CS-697 [0,1,0,0,0,0|1,0,0]=2 29 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 CS-698 [0,1,0,0,0,0|1,0,0]=2 30 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 19-941 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.5 COC(=O)COC1=CC=C(CO)C=C1 19-977 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 06-069 [0,1,0,0,0,0|0,0,2]=3 33 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 CS-521 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 CS-496 [0,1,0,0,0,0|1,0,2]=4 35 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 026114 [0,1,0,0,0,0|1,0,2]=4 36 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 19-870 [0,0,0,1,0,0|1,0,0]=2 37 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 H-101 [0,0,0,1,0,0|1,0,2]=4 38 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 CS-008 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 CS-544 [0,0,0,0,1,0|2,0,0]=3 40 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS-691 [0,0,0,0,1,0|1,0,0]=2 41 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS-694 [0,0,0,0,1,0|0,0,0]=1 42 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 CS-687 [0,0,0,0,1,0|1,0,0]=2 43 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 04-959 [0,0,0,0,1,0|3,0,0]=4 44 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 04-1809 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.1 C=CCCC1=CC=C(F)C=C1 27-147 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.1 N#CCCC1=CC=C(O)C=C1 CS-609 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.91 CC(=O)OCC1=CC=CC=C1 026226S [2,0,0,0,0,0|1,0,0]=3 48 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-854 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.91 NC(=O)CSC1=CC=CC=C1 08-9475 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.91 O=C(Cl)COC1=CC=CC=C1 CS-857 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.91 O=C(O)CCC1=CC=CC=C1 026474 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.91 O=C(O)CCC1=CC=NC=C1 08-10158 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-855 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.83 C=CCC1=CC=C(OC)C=C1 025125S [2,0,0,0,0,0|0,0,1]=3 55 B11R1.83 COC1=CC=C(CNN)C=C1 08-5356 [2,0,0,0,0,0|2,0,0]=4 56 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 19-1007 [1,1,0,0,0,0|0,0,0]=2 57 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 19-747 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 19-2548 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 BIO-840 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 27-011 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 08-10046 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 04-2617 [1,1,0,0,0,0|1,0,0]=3 63 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 04-280 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 04-2226 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 04-1046 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 04-2227 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 04-2230 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 19-2559 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 04-1836 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 04-1837 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 04-1838 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 025940 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 19-2771 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 19-2776 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O BIO-981 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 26-3250 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.452 CCCC(=O)C1=CC=C(OC)C=C1 CS-654 [1,1,0,0,0,0|0,0,2]=4 78 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 08-6191 [0,1,0,0,1,0|1,0,0]=3 79 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 01-691 [0,1,0,0,1,0|1,0,0]=3 80 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 CS-006 [0,1,0,0,1,0|2,0,0]=4 81 B15R1.5 COC1=CC=C(C(=O)CCC(=O)O)C=C1 CS-649 [0,1,0,0,0,1|1,0,0]=3 82 B15R1.793 CCOC(=O)\C=C\C1=CC=C(OC)C=C1 06-564 [0,2,0,0,0,0|0,0,2]=4 83 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 19-867 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)O1 19-869 [1,0,0,1,0,0|1,0,0]=3 85 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 06-1653 [0,0,0,1,1,0|2,0,0]=4 86 B15R2.4834 COC1=CC2=C(C=C1)OC(C(C)=O)=C2 19-651 [0,1,0,1,0,0|1,0,1]=4 87 B15R2.7688 CC(=O)\C=C\C1=CC2=C(C=C1)OCO2 CS-778 [0,1,0,1,0,0|0,0,2]=4 88 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 CS-783 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 21-334 [1,0,0,0,1,0|1,0,0]=3 90 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 CS-114 [1,0,0,0,1,0|2,0,0]=4 91 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 21-097 [1,0,0,0,1,0|2,0,0]=4 92 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 09-002 [1,0,0,0,1,0|2,0,0]=4 93 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 21-335 [1,0,0,0,1,0|2,0,0]=4 94 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 08-6738 [1,0,0,0,1,0|2,0,0]=4 95 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 21-140 [1,0,0,0,1,0|2,0,0]=4 96 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 026118 [1,0,0,0,1,0|1,0,0]=3 97 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 CS-529 [0,0,0,0,2,0|2,0,0]=4 98 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 08-10236 [0,0,0,0,2,0|1,0,0]=3 99 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 CS-718 [0,0,0,0,2,0|2,0,0]=4 100 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 CS-647 [0,0,0,0,2,0|1,0,0]=3 101 B11R1.3 COC1=CC=C(C(C)=O)C=C1 CS-629 [0,0,0,0,2,0|0,0,0]=2 102 B11R1.3 COC1=CC=C(C(N)=O)C=C1 CS-634 [0,0,0,0,2,0|1,0,0]=3 103 B11R1.3 COC1=NC=C(C(=O)O)C=C1 08-1359 [0,0,0,0,2,0|2,0,0]=4 104 B11R1.3 COC1=NC=C(C(C)=O)C=C1 08-8093 [0,0,0,0,2,0|1,0,0]=3 105 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 09-1303 [1,0,0,0,0,1|2,0,0]=4 106 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 26-3880 [1,0,0,0,0,1|2,0,0]=4 107 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 CS-705 [0,0,0,0,1,1|1,0,0]=3 108 B13R1.643 COC1=CC=CC(OCC(=O)O)=C1 CS-683 [0,0,0,0,1,1|2,0,0]=4