0 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [1,0,0,0,0,0|0,0,0]=1 2 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [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 2629-3-R0 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 2629-3-0G [1,0,0,0,0,0|2,0,0]=3 7 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 2629-3-SG [1,0,0,0,0,0|2,0,0]=3 8 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(Br)=C1 2629-9-R3 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.2879 N[C@H](CO)CC1=CC=C(Cl)C(Cl)=C1 4656-5-S4 [1,0,0,0,0,0|2,0,1]=4 10 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 4658-1-6E [0,1,0,0,0,0|0,0,0]=1 11 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 2621-3-5K [0,0,0,1,0,0|3,0,0]=4 12 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [2,0,0,0,0,0|2,0,0]=4 13 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [2,0,0,0,0,0|2,0,0]=4 14 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [2,0,0,0,0,0|0,1,0]=3 15 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [2,0,0,0,0,0|1,0,1]=4 17 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4656-3-R6 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 4656-3-S6 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 4656-3-CA [2,0,0,0,0,0|1,0,1]=4 20 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [2,0,0,0,0,0|2,0,0]=4 21 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [2,0,0,0,0,0|2,0,0]=4 23 B14R1.134 COC(=O)C(Br)CC1=CC=C(F)C=C1 2723-B-06 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.134 COC(=O)C(C)OC1=CC=C(O)C=C1 2623-1-0Z [1,1,0,0,0,0|2,0,0]=4 25 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 4658-3-SC [1,1,0,0,0,0|1,0,0]=3 26 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 4H58-9-R1 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R1 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.536 N#CC(CC1=CC=C(O)C=C1)C(=O)O 4637-1-80 [1,1,0,0,0,0|0,0,1]=3 29 B14R1.153 N[C@H](CC1=CC=CC(F)=C1F)C(=O)O 4657-3-R5 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.42 COC1=CC(CC[N+](=O)[O-])=CC=C1O 4654-1-AY [1,1,0,0,0,0|1,0,1]=4 31 B14R1.685 NC(CC(=O)O)C1=CC(Br)=C(O)C=C1 4657-B-0A [1,1,0,0,0,0|1,0,0]=3 32 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1F 2621-3-4J [1,1,0,0,0,0|1,0,0]=3 33 B16R1.4763 COC1=CC(CC(C#N)C(=O)O)=CC=C1O 4637-1-81 [0,2,0,0,0,0|0,0,1]=3 34 B14R2.4402 CC1=CC=C(C2OC2C(=O)O)C=C1 2721-1-2N [1,0,0,1,0,0|2,0,0]=4 35 B14R2.4402 O=C(O)C1OC1C2=CC=C(Cl)C=C2 2621-5-0D [1,0,0,1,0,0|2,0,0]=4 36 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC=CC(Br)=C2 2621-9-R0 [1,0,0,1,0,0|2,0,0]=4 37 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC(Br)=CC=C2 2621-9-66 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 4H29-1-3H [1,0,0,1,0,0|0,0,2]=4 39 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2629-9-S0 [1,0,0,0,1,0|2,0,0]=4 40 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 2629-5-S4 [1,0,0,0,1,0|2,0,0]=4 41 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 2629-9-R0 [1,0,0,0,1,0|2,0,0]=4 42 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 4657-5-39 [1,0,0,0,1,0|1,0,0]=3