0 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10910 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10911 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.48 CCOC(=O)[C@@H](N)Cc1ccc(F)cc1 30129 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [1,0,0,0,0,0|0,0,0]=1 4 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10889 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10902 [1,0,0,0,0,0|0,0,0]=1 6 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 10891 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 19257 [1,0,0,0,0,0|2,0,0]=3 8 B14R1.134 NNC(=O)[C@@H](N)CC1=CC=C(O)C=C1 27073 [1,0,0,0,0,0|2,0,0]=3 9 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 12614 [1,0,0,0,0,0|1,0,2]=4 10 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [1,0,0,0,0,0|1,0,0]=2 11 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [1,0,0,0,0,0|0,0,0]=1 12 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 8180 [1,0,0,0,0,0|1,0,2]=4 13 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 8172 [1,0,0,0,0,0|1,0,2]=4 14 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 8158 [1,0,0,0,0,0|1,0,2]=4 15 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 22847 [1,0,0,0,0,0|2,0,1]=4 16 B16R1.743 CCOC(=O)\C(C#N)=C\C1=CC=C(O)C=C1 2362 [0,1,0,0,0,0|0,0,3]=4 17 B16R2.755 CCOC(=O)C1=CC2=C(C=C(O)C=C2)O1 33759 [0,0,0,1,0,0|1,0,2]=4 18 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(O)=C2)O1 33757 [0,0,0,1,0,0|2,0,1]=4 19 B16R2.755 CCOC(=O)C1=CC2=CC(O)=CC=C2N1 15850 [0,0,0,1,0,0|2,0,1]=4 20 B16R2.755 CCOC(=O)C1=CC2=CC=C(Br)C=C2N1 25805 [0,0,0,1,0,0|1,0,2]=4 21 B16R2.755 CCOC(=O)C1=CC2=CC=C(Cl)C=C2N1 1672 [0,0,0,1,0,0|1,0,2]=4 22 B16R2.755 CCOC(=O)C1=CC2=CC=C(F)C=C2N1 1680 [0,0,0,1,0,0|1,0,2]=4 23 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 22562 [0,0,0,0,1,0|2,0,1]=4 24 B14R1.35 CCOC(=O)C(=O)c1ccc(Br)cc1 10652 [0,0,0,0,1,0|2,0,1]=4 25 B14R1.35 CCOC(=O)C(C)C1=CC=C(N)C=C1 22952 [0,0,0,0,1,0|2,0,0]=3 26 B14R1.35 CCOC(=O)[C@H](N)C1=CC=C(O)C=C1 26599 [0,0,0,0,1,0|0,0,0]=1 27 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C)C=C1 31836 [0,0,0,0,0,1|2,0,1]=4 28 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 12861 [2,0,0,0,0,0|1,0,1]=4 29 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [2,0,0,0,0,0|0,0,0]=2 30 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [2,0,0,0,0,0|2,0,0]=4 32 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [2,0,0,0,0,0|0,0,0]=2 35 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [2,0,0,0,0,0|0,0,0]=2 37 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [2,0,0,0,0,0|0,0,0]=2 40 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [2,0,0,0,0,0|2,0,0]=4 41 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3126 [2,0,0,0,0,0|0,0,2]=4 42 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [2,0,0,0,0,0|1,0,0]=3 43 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [2,0,0,0,0,0|0,0,0]=2 48 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [2,0,0,0,0,0|1,0,0]=3 49 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [2,0,0,0,0,0|1,0,0]=3 53 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [2,0,0,0,0,0|1,0,0]=3 54 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [2,0,0,0,0,0|1,0,0]=3 57 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [2,0,0,0,0,0|0,0,0]=2 58 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [2,0,0,0,0,0|0,0,1]=3 59 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [2,0,0,0,0,0|1,0,0]=3 60 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [2,0,0,0,0,0|1,0,0]=3 61 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [2,0,0,0,0,0|1,0,0]=3 62 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [2,0,0,0,0,0|1,0,0]=3 63 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [2,0,0,0,0,0|1,0,0]=3 64 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [2,0,0,0,0,0|1,0,0]=3 65 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [2,0,0,0,0,0|0,0,0]=2 66 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [2,0,0,0,0,0|2,0,0]=4 67 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)C=C1 22972 [1,1,0,0,0,0|1,0,1]=4 68 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 2692 [1,1,0,0,0,0|1,0,1]=4 69 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(I)C=C1 28867 [1,1,0,0,0,0|1,0,1]=4 70 B15R1.23 CCOC(=O)CS(=O)C1=CC=C(Cl)C=C1 18131 [1,1,0,0,0,0|2,0,0]=4 71 B15R1.793 CCOC(=O)CCC1=CC=C(C=O)C=C1 27619 [1,1,0,0,0,0|0,0,1]=3 72 B15R1.793 CCOC(=O)\C=C\C1=CC=C(OC)C=C1 8178 [1,1,0,0,0,0|0,0,2]=4 73 B17R1.8287 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=C(O)C=C1 7068 [0,2,0,0,0,0|0,0,0]=2 74 B17R1.5682 CCOC(=O)[C@@H](N)CC1=CC=C([N+](=O)[O-])C=C1 9688 [0,2,0,0,0,0|0,0,1]=3 75 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2N1 1697 [1,0,0,1,0,0|0,0,2]=4 76 B15R2.1356 CCOC(=O)[C@@H]1CC2=CC=CC=C2N1 14241 [1,0,0,1,0,0|0,0,0]=2 77 B15R2.1356 CCOC(=O)[C@@H]1CC2=CC=CC=C2N1 25679 [1,0,0,1,0,0|0,0,0]=2 78 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [1,0,0,0,1,0|1,0,1]=4 79 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 10349 [1,0,0,0,1,0|1,0,0]=3 80 B13R1.47 CCOC(=O)[C@H](N)c1ccccc1 10931 [1,0,0,0,1,0|0,0,0]=2 81 B13R1.21 COC(=O)C(C)C1=CC=C(N)C=C1 33691 [1,0,0,0,1,0|2,0,0]=4 82 B13R1.21 COC(=O)C(C)C1=CC=C(O)C=C1 35786 [1,0,0,0,1,0|1,0,0]=3 83 B13R1.21 COC(=O)[C@H](N)C1=CC=C(Cl)C=C1 13992 [1,0,0,0,1,0|1,0,0]=3 84 B13R1.21 COC(=O)[C@H](N)C1=CC=C(F)C=C1 13991 [1,0,0,0,1,0|1,0,0]=3 85 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 18829 [1,0,0,0,0,1|1,0,1]=4 86 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 6054 [1,0,0,0,0,1|0,0,0]=2 87 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 5781 [1,0,0,0,0,1|1,0,0]=3