0 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 BBP01370 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 T2215 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O BBP04001 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.42 COc1cc(CCC(=O)O)ccc1O T0558 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.42 COc1cc(\C=C\C(=O)[O-])ccc1O T2S0007 [0,0,0,0,0,0|1,0,2]=3 6 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 BBP00195 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.511 NC(=O)\C=C\C1=CC(O)=C(O)C=C1 BBP01447 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 BBP02925 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 BBP00187 [1,0,0,0,0,0|0,0,2]=3 12 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 BBP00816 [1,0,0,0,0,0|0,0,2]=3 13 B13R1.575 COc1cc(\C=C\C=O)ccc1O T2S1907 [1,0,0,0,0,0|0,0,2]=3 14 B15R1.4039 COC(=O)\C=C\C1=CC(OC)=C(O)C=C1 BBP02891 [0,1,0,0,0,0|0,0,2]=3 15 B15R1.4039 COC(=O)\C=C\c1ccc(O)c(OC)c1 TL0004 [0,1,0,0,0,0|0,0,2]=3 16 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 BBP02892 [0,1,0,0,0,0|1,0,2]=4 17 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 T3759 [0,1,0,0,0,0|1,0,2]=4 18 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 BBP00036 [0,0,0,1,0,0|1,0,2]=4 19 B15R2.1754 COc1cc2ccc(=O)oc2cc1O T2984 [0,0,0,1,0,0|1,0,2]=4 20 B15R2.36352 COC1=C(O)C=CC2=C1OC(=O)C=C2 BBP04499 [0,0,0,1,0,0|1,0,2]=4 21 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 T3S0507 [0,0,0,0,1,0|1,0,0]=2 22 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [2,0,0,0,0,0|0,0,0]=2 23 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [2,0,0,0,0,0|0,0,0]=2 24 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 BBP03225 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 BBP01811 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.286 C=CCc1ccc(O)c(OC)c1 T1297 [2,0,0,0,0,0|0,0,1]=3 29 B12R1.286 COC1=C(O)C=CC(CCO)=C1 BBP03661 [2,0,0,0,0,0|0,0,1]=3 30 B12R1.286 COc1cc(CCN)ccc1O T4710 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.286 C\C=C\c1ccc(O)c(OC)c1 T2S0493 [2,0,0,0,0,0|0,0,1]=3 32 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.686 O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.686 O=C([O-])C(O)CC1=CC(O)=C(O)C=C1 BBP04021 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 T2944 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.907 COC\C=C\C1=CC(OC)=C(O)C=C1 BBP02847 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.41 COC1=C(O)C=CC([C@H](O)[C@@H](C)O)=C1 BBP02856 [0,1,0,0,1,0|0,0,2]=4 38 B14R1.41 COC1=C(O)C=CC([C@H](O)[C@H](C)O)=C1 BBP02857 [0,1,0,0,1,0|0,0,2]=4 39 B14R1.3651 COc1ccc(CC(=O)O)cc1OC T0568 [0,1,0,0,1,0|1,0,0]=3 40 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 BBP03131 [0,2,0,0,0,0|0,0,2]=4 41 B16R1.15083 CCOC(=O)\C=C\c1ccc(O)c(OC)c1 T2821 [0,2,0,0,0,0|0,0,2]=4 42 B16R2.1679 COC1=C(O)C=C2C(=O)N(C)CCC2=C1 BBP05023 [0,1,0,1,0,0|1,0,0]=3 43 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [1,0,0,0,1,0|1,0,0]=3 44 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBP00056 [0,0,0,0,2,0|1,0,0]=3 45 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BBP03197 [0,0,0,0,2,0|0,0,0]=2 46 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,0,0,0,2,0|1,0,0]=3 47 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,0,0,0,2,0|0,0,0]=2