0 B13R1.511 CC(=O)\C=C\C1=CC(O)=C(O)C=C1 D95842 [1,0,0,0,0,0|0,0,0]=1 1 B13R1.511 CC1=C(O)C=CC(CCC(=O)O)=C1 F52916 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 42813 [1,0,0,0,0,0|0,0,0]=1 3 B13R1.643 COC1=CC=CC(C#CC(=O)O)=C1 D86459 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.643 COC1=CC=CC(COC(=O)Cl)=C1 D80875 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 C80051 [1,0,0,0,0,0|3,0,0]=4 6 B15R1.4037 COC1=C(O)C=CC([C@@H](N)CC(=O)O)=C1 62461 [0,1,0,0,0,0|1,0,2]=4 7 B15R1.4038 COC1=C(O)C=CC(CC(=O)C(=O)O)=C1 T71582 [0,1,0,0,0,0|1,0,1]=3 8 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 82868 [0,1,0,0,0,0|1,0,2]=4 9 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 D95468 [0,1,0,0,0,0|1,0,2]=4 10 B15R1.4039 COC(=O)CCC1=CC(OC)=C(O)C=C1 T72619 [0,1,0,0,0,0|0,0,2]=3 11 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 AC7547 [0,1,0,0,0,0|1,0,0]=2 12 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 TD8126 [0,0,0,1,0,0|1,0,0]=2 13 B15R2.7688 O=C(O)\C=C/C1=CC2=C(C=C1)OCC2 C12982 [0,0,0,1,0,0|2,0,0]=3 14 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 CL9702 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.52 COC1=C(O)C=CC(OC(C)=O)=C1 AC6384 [0,0,0,0,1,0|1,0,0]=2 16 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [2,0,0,0,0,0|2,0,0]=4 20 B14R1.833 COC(=O)\C=C\C1=CC(F)=C(F)C=C1 W11635 [1,1,0,0,0,0|2,0,0]=4 21 B14R1.3653 COC1=C(O)C=C(C=C[N+](=O)[O-])C=C1 D95577 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.626 CCCC(=O)C1=CC(OC)=C(O)C=C1 D94316 [1,1,0,0,0,0|0,0,2]=4 23 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 D83473 [1,1,0,0,0,0|1,0,1]=4 24 B14R1.75 COC1=CC=CC(CC(=O)C(=O)O)=C1 C91154 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.77 COC(=O)\C=C\C1=CN=CC(OC)=C1 W11684 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.376 COC1=CC(\C=C\C(=O)O)=CC(F)=C1 W16430 [1,1,0,0,0,0|1,0,0]=3 27 B14R2.4513 CC1=CC=C2C=CC(Cl)=C(C)C2=N1 D80124 [1,0,0,1,0,0|2,0,0]=4 28 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 41197 [1,0,0,1,0,0|1,0,0]=3 29 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 F21158 [1,0,0,1,0,0|1,0,1]=4 30 B14R2.203 COC1=C(Br)C=CC2=CC=CN=C21 76401 [1,0,0,1,0,0|2,0,0]=4 31 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 C72616 [1,0,0,1,0,0|1,0,1]=4 32 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br E10143 [1,0,0,1,0,0|1,0,1]=4 33 B14R2.1128 COC1=CC2=CC=CN=C2C=C1C W10697 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 71771 [1,0,0,1,0,0|0,0,2]=4 35 B14R2.130 COC1=CC=CC(C2CC(=O)C2)=C1 91867 [1,0,0,1,0,0|0,0,2]=4 36 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=C2 W10314 [1,0,0,1,0,0|1,0,0]=3 37 B14R2.2332 COC1=CC=C2N=C(Br)C=CC2=C1 83962 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.11684 COC1=C2C=C(Br)C=CC2=CC=C1 33657 [1,0,0,1,0,0|1,0,1]=4 39 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 63804 [1,0,0,1,0,0|0,0,2]=4 40 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 83963 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 F19836 [1,0,0,1,0,0|1,0,0]=3 42 B16R2.36472 COC1=C(O)C(O)=C2OC(=O)C=CC2=C1 40361 [0,1,0,1,0,0|1,0,0]=3 43 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C 71277 [0,1,0,1,0,0|2,0,0]=4 44 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)CC2 Y11682 [0,1,0,1,0,0|0,0,2]=4 45 B16R2.1461 COC1=CC2=C(C=C1OC)NC(=O)N=C2 F15826 [0,1,0,1,0,0|2,0,0]=4 46 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 44332 [0,1,0,1,0,0|1,0,0]=3 47 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [1,0,0,0,1,0|0,0,1]=3 48 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [1,0,0,0,1,0|1,0,0]=3 49 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 W17726 [0,0,0,0,2,0|1,0,0]=3 51 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,0,0,0,2,0|1,0,0]=3 52 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 AT15468 [0,0,0,0,2,0|2,0,0]=4