0 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 OR350006 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O OR14719 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 N[C@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O OR14720 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O OR40318 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 OR14704 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14703 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14730 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O OR14695 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O OR14691 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O OR9515 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O OR14696 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O OR14692 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O OR14729 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 OR471447 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(Br)C=C1 OR471446 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.148 CC1=CC=CC(C[C@@H](N)C(=O)O)=C1 OR14702 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 OR14701 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O OR8975 [1,0,0,0,0,0|0,0,0]=1 18 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O OR14689 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O OR14690 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 OR21175 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 OR1165 [1,0,0,0,0,0|0,0,2]=3 22 B13R1.510 NC(C(=O)O)C1=CC(Cl)=C(Cl)C=C1 OR12449 [0,0,0,0,1,0|2,0,0]=3 23 B13R1.5896 CC1=C(CC(N)C(=O)O)ON=C1O OR1125T [0,0,0,0,1,0|3,0,0]=4 24 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 OR28913 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 OR4248 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 OR4789 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 OR5894 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 OR3085 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 OR7880 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 OR6478 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 OR6534 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 OR957092 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 OR46027 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 OR55198 [2,0,0,0,0,0|0,0,2]=4 35 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O OR18022 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O OR12736 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 OR964553 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O OR14725 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O OR14723 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O OR14721 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O OR70012 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O OR0702 [2,0,0,0,0,0|0,0,0]=2 43 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O OR14726 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O OR14724 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O OR55414 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O OR14722 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 OR8979 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 OR3084 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.226 O=C(O)CCC1=CC(I)=CC=C1 OR17663 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 OR13022 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 OR5957 [2,0,0,0,0,0|0,0,2]=4 52 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 OR1575 [2,0,0,0,0,0|2,0,0]=4 53 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 OR12737 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR17450 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 OR61060 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 OR911434 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O OR14717 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O OR14718 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.542 CCC(CC1=CC(O)=CC=C1)C(=O)O OR24715 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.42 COC1=C(O)C=CC(C=CC(=O)O)=C1 OR11310 [1,1,0,0,0,0|0,0,2]=4 61 B14R1.42 COC1=C(O)C=CC(CCC(C)O)=C1 OR40441 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 OR1171 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 OR17909 [1,0,0,0,1,0|1,0,0]=3 64 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 OR53059 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 OR4793 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 OR48264 [1,0,0,0,1,0|1,0,0]=3 67 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 OR12450 [1,0,0,0,1,0|0,0,0]=2 68 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 OR8733 [1,0,0,0,1,0|0,0,0]=2 69 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 OR43666 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 OR13218 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 OR310337 [1,0,0,0,1,0|2,0,0]=4 72 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 OR60052 [1,0,0,0,1,0|1,0,0]=3