0 B15R1.890 NC(C(=O)O)C(O)c1ccc(O)c(O)c1 MC436954 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O CS21667 [1,0,0,0,0,0|2,0,0]=3 2 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O CS21669 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O MC437808 [1,0,0,0,0,0|1,0,0]=2 4 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O MC442660 [1,0,0,0,0,0|1,0,1]=3 5 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O MC442661 [1,0,0,0,0,0|1,0,1]=3 6 B14R1.686 NC(Cc1ccc(F)c(F)c1)C(=O)O MC439341 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.686 NC(Cc1ccc(O)c(Cl)c1)C(=O)O MC439088 [1,0,0,0,0,0|1,0,0]=2 8 B14R1.686 NC(Cc1ccc(O)c(Cl)c1)C(=O)O MC439097 [1,0,0,0,0,0|1,0,0]=2 9 B14R1.686 Nc1cc(CC(N)C(=O)O)ccc1O MC436191 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 CS15527 [2,0,0,0,0,0|2,0,0]=4 11 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 CS13598 [2,0,0,0,0,0|2,0,0]=4 12 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 CS10885 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437927 [2,0,0,0,0,0|1,0,0]=3 14 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437928 [2,0,0,0,0,0|1,0,0]=3 15 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438265 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438266 [2,0,0,0,0,0|1,0,0]=3 17 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC439196 [2,0,0,0,0,0|1,0,0]=3 18 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O CS10882 [2,0,0,0,0,0|1,0,0]=3 19 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC40196 [2,0,0,0,0,0|1,0,0]=3 20 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC426010 [2,0,0,0,0,0|1,0,0]=3 21 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O CS10883 [2,0,0,0,0,0|1,0,0]=3 22 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O MC436857 [2,0,0,0,0,0|1,0,0]=3 23 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS10886 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS22841 [2,0,0,0,0,0|1,0,0]=3 25 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428050 [2,0,0,0,0,0|1,0,0]=3 26 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428053 [2,0,0,0,0,0|1,0,0]=3 27 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O CS10887 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC106641 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC426012 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19139 [2,0,0,0,0,0|0,0,0]=2 31 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19180 [2,0,0,0,0,0|0,0,0]=2 32 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC436856 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC439349 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O MC439087 [2,0,0,0,0,0|1,0,0]=3 35 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436187 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436188 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436189 [2,0,0,0,0,0|1,0,0]=3 38 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC439242 [2,0,0,0,0,0|1,0,0]=3 39 B13R1.133 [15NH2]C(Cc1ccc(O)cc1)C(=O)O MC438264 [2,0,0,0,0,0|0,0,0]=2 40 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 MC438101 [2,0,0,0,0,0|0,0,0]=2 41 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O CS13600 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O MC438094 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 MC40199 [2,0,0,0,0,0|2,0,0]=4 44 B13R1.147 CC(CC(=O)O)C1=CC(F)=CC=C1 MC112322 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 MC429425 [2,0,0,0,0,0|2,0,0]=4 46 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O CS14986 [2,0,0,0,0,0|1,0,0]=3 47 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O MC112761 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O MC20846 [2,0,0,0,0,0|1,0,0]=3 49 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428048 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428051 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O MC428052 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O MC439128 [2,0,0,0,0,0|0,0,0]=2 53 B13R1.148 NC(Cc1cccc(Br)c1)C(=O)O MC439273 [2,0,0,0,0,0|1,0,0]=3 54 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439089 [2,0,0,0,0,0|1,0,0]=3 55 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439095 [2,0,0,0,0,0|1,0,0]=3 56 B13R1.148 NC(Cc1cccc(Cl)c1)C(=O)O MC439404 [2,0,0,0,0,0|1,0,0]=3 57 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 CS13209 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 MC40201 [2,0,0,0,0,0|2,0,0]=4 59 B15R1.3776 COC1=C(O)C=C(C(N)CC(=O)O)C=C1 MC106626 [1,1,0,0,0,0|1,0,0]=3 60 B15R1.5521 COC(=O)C(N)Cc1ccc(Cl)c(Cl)c1 MC439085 [1,1,0,0,0,0|2,0,0]=4 61 B15R1.8408 NC(CC1=C(F)C(F)=C(F)C=C1)C(=O)O MC113372 [1,1,0,0,0,0|2,0,0]=4 62 B15R1.28955 NC(CC1=CC(Br)=C(O)C(Br)=C1)C(=O)O MC436942 [1,1,0,0,0,0|1,0,0]=3 63 B15R1.28955 NC(CC1=CC(F)=C(F)C(F)=C1)C(=O)O CS17935 [1,1,0,0,0,0|2,0,0]=4 64 B15R1.28955 NC(CC1=CC(I)=C(O)C(I)=C1)C(=O)O MC113502 [1,1,0,0,0,0|1,0,0]=3 65 B15R1.28955 NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O MC436943 [1,1,0,0,0,0|1,0,0]=3 66 B15R1.28955 NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O MC439348 [1,1,0,0,0,0|1,0,0]=3 67 B15R1.28955 NC(Cc1cc(I)c(O)c(I)c1)C(=O)O MC436957 [1,1,0,0,0,0|1,0,0]=3 68 B15R1.28955 NC(Cc1cc(I)c(O)c(I)c1)C(=O)O MC439389 [1,1,0,0,0,0|1,0,0]=3 69 B15R2.1102 O=C(O)C1=CC2=CC(O)=C(O)C=C2N1 CS16586 [1,0,0,1,0,0|0,0,2]=4