0 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB31-5790 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O BB31-4315 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 BB32-1699 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O BB31-4114 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.511 O=C(O)CCC1=CC(Br)=C(O)C=C1 BB31-3957 [1,0,0,0,0,0|1,0,0]=2 8 B15R1.676 NCC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O BB31-5759 [0,1,0,0,0,0|2,0,0]=3 9 B15R2.18974 O=C(O)C1CC1C2=CC(F)=C(F)C=C2 BB31-9439 [0,0,0,1,0,0|3,0,0]=4 10 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(F)=C(Cl)C=C2 BB31-3833 [0,0,0,1,0,0|3,0,0]=4 11 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 BB31-6128 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [2,0,0,0,0,0|0,0,1]=3 18 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 BB31-2342 [1,1,0,0,0,0|1,0,0]=3 19 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 BB31-1105 [1,1,0,0,0,0|2,0,0]=4 20 B14R1.6049 CC1=CC(C)=C(C[C@@H](N)C(=O)O)C=C1 BB31-7720 [1,1,0,0,0,0|1,0,0]=3 21 B14R1.6049 NC(CC1=C(F)C=C(Br)C=C1)C(=O)O BB32-2870 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O BB31-7077 [1,1,0,0,0,0|0,0,0]=2 23 B14R1.75 NCC1=CC=CC(C[C@H](N)C(=O)O)=C1 BB32-3224 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.135 COC(=O)C(O)CC1=CC(O)=CC=C1 BB31-2929 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.4257 CC1=CC(C)=CC(CC(N)C(=O)O)=C1 BB31-9386 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O BB31-2471 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 BB32-2250 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(F)C=C1 BB32-2801 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.685 N[C@H](CC(=O)O)C1=CC(F)=C(F)C=C1 BB32-0138 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 BB31-8944 [1,1,0,0,0,0|0,0,0]=2 31 B16R1.11361 N[C@@H](CC(=O)O)CC1=CC(F)=C(F)C=C1F BB31-8167 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [1,0,0,1,0,0|0,0,2]=4 33 B14R2.7969 O=C(O)C1CC2=CC=CC(Br)=C2C1 BB31-4132 [1,0,0,1,0,0|2,0,0]=4 34 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [1,0,0,0,1,0|2,0,0]=4 35 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [1,0,0,0,1,0|2,0,0]=4 36 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [1,0,0,0,1,0|1,0,0]=3 37 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [1,0,0,0,1,0|1,0,1]=4 38 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 BB32-0915 [1,0,0,0,1,0|1,0,0]=3 39 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [1,0,0,0,0,1|1,0,0]=3 40 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 BB32-1950 [1,0,0,0,0,1|1,0,0]=3 41 B14R1.687 O=C(O)CCCC1=CC(Cl)=C(Cl)C=C1 BB31-4338 [1,0,0,0,0,1|2,0,0]=4 42 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 BB32-1769 [1,0,0,0,0,1|2,0,0]=4