0 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 98316 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.42 COC1=C(F)C=CC(CCC(=O)O)=C1 F52909 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 75930 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 29228 [1,0,0,0,0,0|2,0,0]=3 4 B15R2.7688 CC(=O)OCC1=CC2=C(C=C1)OCO2 S11733 [0,0,0,1,0,0|2,0,1]=4 5 B15R2.7688 O=[N+]([O-])\C=C\C1=CC2=C(C=C1)OCO2 74909 [0,0,0,1,0,0|1,0,1]=3 6 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 F20951 [2,0,0,0,0,0|2,0,0]=4 7 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [2,0,0,0,0,0|1,0,1]=4 8 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 D78766 [2,0,0,0,0,0|2,0,0]=4 9 B14R1.833 COC(=O)\C=C\C1=CC(F)=C(C)C=C1 W11638 [1,1,0,0,0,0|2,0,0]=4 10 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 F52914 [1,1,0,0,0,0|0,0,2]=4 11 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 A50644 [1,1,0,0,0,0|0,0,2]=4 12 B14R1.75 COC1=CC=CC(NC(=O)C(=O)O)=C1 E72417 [1,1,0,0,0,0|1,0,0]=3 13 B14R1.468 CCOC1=CC=CC(CCC(=O)O)=C1 F52926 [1,1,0,0,0,0|0,0,2]=4 14 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 H10405 [0,1,0,0,1,0|0,0,1]=3 15 B14R1.3651 COC1=C(OC)C=C(NC(C)=O)C=C1 L10168 [0,1,0,0,1,0|2,0,0]=4 16 B16R1.4276 COC(=O)\C=C\C1=CC(OC)=C(OC)C=C1 AC9185 [0,2,0,0,0,0|0,0,0]=2 17 B16R1.20127 COC1=CC=C(\C=C\[N+](=O)[O-])C(Cl)=C1OC E72158 [0,2,0,0,0,0|1,0,1]=4 18 B16R1.9381 CCOC1=C(OC)C=C(C=CC(=O)O)C=C1 77219 [0,2,0,0,0,0|0,0,0]=2 19 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O D97763 [1,0,0,1,0,0|1,0,0]=3 20 B16R2.11587 N[C@@H](CC(=O)O)C1=CC2=C(C=C1)OCO2 51223 [0,1,0,1,0,0|0,0,2]=4 21 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 L10046 [1,0,0,0,1,0|2,0,0]=4 22 B12R1.438 CSC1=CC(CC(=O)O)=CC=C1 W18883 [1,0,0,0,1,0|0,1,1]=4 23 B12R1.56 COC1=C(O)C=CC(C(N)=S)=C1 76954 [0,0,0,0,2,0|1,1,0]=4