0 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 1774AL [0,0,0,0,0,0|2,1,0]=3 1 B14R1.3 NCC1=CC=C(CC(N)C(=O)O)C=C1 6946AC [0,0,0,0,0,0|3,0,1]=4 2 B13R1.3 C=C(C)CCC1=CC=C(OC)C=C1 6202AD [1,0,0,0,0,0|2,0,1]=4 3 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 4744AD [1,0,0,0,0,0|1,1,1]=4 4 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 1978AJ [1,0,0,0,0,0|2,0,1]=4 5 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 4275AB [1,0,0,0,0,0|2,0,1]=4 6 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O 1228AB [1,0,0,0,0,0|2,0,1]=4 7 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [1,0,0,0,0,0|0,0,2]=3 8 B15R1.3 COC1=CC=C(NC(=O)C(=O)NN)C=C1 6967AD [0,1,0,0,0,0|2,0,0]=3 9 B15R2.4834 COC1=CC=C2C=C(C(=O)O)SC2=C1 0627AA [0,0,0,1,0,0|0,1,1]=3 10 B15R2.4834 COC1=CC=C2N=C(C(=O)O)OC2=C1 X5070 [0,0,0,1,0,0|1,0,1]=3 11 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=N1 Y7816 [0,0,0,1,0,0|3,0,0]=4 12 B13R1.36 COC1=CC=C(C(Cl)C(C)=O)C=C1 1473AB [0,0,0,0,1,0|2,0,1]=4 13 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [2,0,0,0,0,0|0,1,1]=4 14 B12R1.71 C=CCCC1=CC=C(OC)C=C1 6964AD [2,0,0,0,0,0|1,0,1]=4 15 B12R1.71 COC1=CC=C(CCC=O)C=C1 0461AB [2,0,0,0,0,0|0,0,1]=3 16 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 3435AC [2,0,0,0,0,0|2,0,0]=4 17 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 5875AA [1,1,0,0,0,0|0,0,1]=3 18 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 1687AC [1,1,0,0,0,0|0,0,2]=4 19 B14R1.3653 COC1=C(Cl)C=C(\C=C\C(=O)O)C=C1 1096AQ [1,1,0,0,0,0|0,0,1]=3 20 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1Br Z7197 [1,1,0,0,0,0|0,0,1]=3 21 B14R1.132 CC1=CC=C([C@@H](N)[C@@H](O)C(=O)O)C=C1 6733AA [1,1,0,0,0,0|0,0,2]=4 22 B14R1.132 CC1=CC=C([C@H](N)[C@H](O)C(=O)O)C=C1 4052AA [1,1,0,0,0,0|0,0,2]=4 23 B14R1.132 O=C(O)C(O)C(O)C1=CC=C(O)C=C1 W2093 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 1789AA [1,1,0,0,0,0|0,0,0]=2 25 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 8571AH [1,1,0,0,0,0|1,0,1]=4 26 B14R1.6049 NC(CC1=CC=C(O)C=C1F)C(=O)O 9429AE [1,1,0,0,0,0|1,0,1]=4 27 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8624AB [1,1,0,0,0,0|1,0,1]=4 28 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(O)C=C1)C(=O)O 0963AC [1,1,0,0,0,0|1,0,1]=4 29 B14R1.6049 N[C@@H](CC1=CC=C(O)C=C1F)C(=O)O 1720AJ [1,1,0,0,0,0|1,0,1]=4 30 B14R1.6049 N[C@@H](CC1=CC=C(O)C=C1O)C(=O)O 2219AB [1,1,0,0,0,0|1,0,1]=4 31 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O 0605AP [1,1,0,0,0,0|1,0,1]=4 32 B14R2.2332 COC1=CC=C2CC(=O)COC2=C1 1877AC [1,0,0,1,0,0|0,0,1]=3 33 B14R2.3304 COC1=CC=C2N=C(C=O)NC2=C1 3565AJ [1,0,0,1,0,0|2,0,0]=4 34 B14R2.4529 O=C(O)C1=NC2=CC(O)=CC=C2N1 5788AB [1,0,0,1,0,0|2,0,0]=4 35 B16R2.7527 COC1=CC2=C(C=C1)NC(C)=C2C(=O)O 0209AE [0,0,0,1,0,1|2,0,0]=4 36 B16R2.7607 COC1=CC=C2CC(CC(=O)O)CC2=C1 2323AC [0,0,0,1,0,1|1,0,1]=4 37 B16R2.7476 COC1=CC2=C(C=C1)OCC(C(=O)O)=C2 8484AB [0,0,0,1,0,1|1,0,0]=3 38 B16R2.3108 COC(=O)[C@@H]1O[C@H]1C2=CC=C(OC)C=C2 G454 [0,1,0,1,0,0|0,0,2]=4 39 B16R2.7604 COC(=O)C1=NC2=C(C=CC(OC)=C2)O1 6710AB [0,1,0,1,0,0|2,0,0]=4 40 B16R2.39460 COC1=CC=C2C(=C1)SC(C(=O)O)=C2C 3577AJ [0,1,0,1,0,0|0,1,1]=4 41 B16R2.7526 COC1=CC2=C(C=C1)OC(C(=O)O)=C2Br 3876AB [0,1,0,1,0,0|2,0,0]=4 42 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 L175 [1,0,0,0,1,0|1,0,1]=4 43 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 0707AC [1,0,0,0,1,0|2,0,0]=4 44 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 7895AB [1,0,0,0,1,0|0,0,1]=3 45 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 5760AJ [1,0,0,0,0,1|0,1,1]=4 46 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 2232AL [1,0,0,0,0,1|2,0,0]=4 47 B16R1.4 CCC1=CC=C(NC(=O)C=CC(=O)O)C=C1 3612AB [0,0,0,0,0,2|2,0,0]=4