0 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 21842 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.42 COC1=CC(\C=C\C(=O)[O-])=CC=C1O 31785 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 00802 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 27371 [1,0,0,0,0,0|1,0,0]=2 4 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 26846 [0,1,0,0,0,0|1,0,0]=2 5 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 30871 [0,1,0,0,0,0|1,0,2]=4 6 B15R1.12854 COC1=CC(OCC(=O)O)=CC=C1C=O 10628 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.12854 COC1=CC(OCC(=O)O)=CC=C1CO 05283 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 02317 [0,0,0,0,1,0|1,0,0]=2 9 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 25777 [2,0,0,0,0,0|2,0,0]=4 10 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 32480 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 25775 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 25776 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 05284 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.286 COC1=CC(CCN)=CC=C1O 10603 [2,0,0,0,0,0|1,0,0]=3 15 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O 21178 [1,1,0,0,0,0|2,0,0]=4 16 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 04921 [1,1,0,0,0,0|2,0,0]=4 17 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 05231 [1,1,0,0,0,0|2,0,0]=4 18 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 31891 [1,1,0,0,0,0|2,0,0]=4 19 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O 00192 [1,1,0,0,0,0|2,0,0]=4 20 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O 32464 [1,1,0,0,0,0|1,0,0]=3 21 B14R1.686 N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 14370 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.686 N[C@H](CC1=CC(I)=C(O)C=C1)C(=O)O 14369 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 32465 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 15638 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.74 COC1=CC=CC([C@H](N)CC(=O)O)=C1 15637 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 07240 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 05232 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.41 COC1=C(O)C=CC(C(O)C(=O)O)=C1 21966 [0,1,0,0,1,0|1,0,0]=3 29 B14R1.439 CCOC1=CC(CC(=O)O)=CC=C1O 21513 [0,1,0,0,1,0|1,0,0]=3 30 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 21921 [0,1,0,0,1,0|1,0,0]=3 31 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC 07287 [0,2,0,0,0,0|1,0,0]=3 32 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 31784 [0,2,0,0,0,0|0,0,2]=4 33 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 17025 [1,0,0,1,0,0|0,0,0]=2 34 B14R2.2332 COC1=CC2=C(C=C1)CC(N)CC2 19216 [1,0,0,1,0,0|1,0,1]=4 35 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 28197 [1,0,0,0,1,0|2,0,0]=4 36 B12R1.19 CC1=CC(CC(=O)O)=CC=C1O 28947 [1,0,0,0,1,0|1,0,0]=3 37 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 21643 [1,0,0,0,1,0|2,0,0]=4 38 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 21188 [1,0,0,0,1,0|2,0,0]=4 39 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 28300 [0,0,0,0,2,0|2,0,0]=4 40 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 28287 [0,0,0,0,2,0|0,0,2]=4