0 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 BBP01370 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 T2215 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O BBP04001 [0,0,0,0,0,0|1,0,2]=3 3 B14R1.42 COc1cc(CCC(=O)O)ccc1O T0558 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.42 COc1cc(\C=C\C(=O)[O-])ccc1O T2S0007 [0,0,0,0,0,0|0,0,1]=1 6 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 BBP00195 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.511 NC(=O)\C=C\C1=CC(O)=C(O)C=C1 BBP01447 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [1,0,0,0,0,0|0,0,2]=3 9 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 BBP02925 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [1,0,0,0,0,0|0,0,0]=1 11 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 BBP00187 [1,0,0,0,0,0|0,0,3]=4 12 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 BBP00816 [1,0,0,0,0,0|0,0,0]=1 13 B13R1.575 COc1cc(\C=C\C=O)ccc1O T2S1907 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.575 COc1cc(\C=C\CO)ccc1O TL0010 [1,0,0,0,0,0|0,0,1]=2 15 B15R1.4039 COC(=O)\C=C\C1=CC(OC)=C(O)C=C1 BBP02891 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.4039 COC(=O)\C=C\c1ccc(O)c(OC)c1 TL0004 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 BBP02892 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 T3759 [0,1,0,0,0,0|0,0,0]=1 19 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 BBP00036 [0,0,0,1,0,0|0,0,0]=1 20 B15R2.1754 COc1cc2ccc(=O)oc2cc1O T2984 [0,0,0,1,0,0|0,0,0]=1 21 B15R2.36352 COC1=C(O)C=CC2=C1OC(=O)C=C2 BBP04499 [0,0,0,1,0,0|0,0,0]=1 22 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 T3S0507 [0,0,0,0,1,0|0,0,1]=2 23 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 BBP01524 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [2,0,0,0,0,0|0,0,0]=2 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|0,0,2]=4 30 B12R1.286 C\C=C\c1ccc(O)c(OC)c1 T2S0493 [2,0,0,0,0,0|0,0,1]=3 31 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [1,1,0,0,0,0|0,0,2]=4 32 B14R1.686 O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 BBP00713 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.3653 COc1ccc(\C=C\C(=O)O)cc1O T2889 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.626 COC1=C(O)C=CC(C(=O)CCO)=C1 BBP00277 [1,1,0,0,0,0|0,0,2]=4 36 B14R1.793 COC1=C(OC)C=C(\C=C\CO)C=C1 BBP03091 [1,1,0,0,0,0|0,0,1]=3 37 B14R1.907 COC\C=C\C1=CC(OC)=C(O)C=C1 BBP02847 [1,1,0,0,0,0|0,0,1]=3 38 B14R1.3651 COc1ccc(CC(=O)O)cc1OC T0568 [0,1,0,0,1,0|0,0,1]=3 39 B16R1.423 COC1=CC(\C=C\C(=O)O)=CC(OC)=C1O BBP03652 [0,2,0,0,0,0|0,0,0]=2 40 B16R1.423 COC1=CC(\C=C\C(=O)O)=CC(OC)=C1O T3753 [0,2,0,0,0,0|0,0,0]=2 41 B16R1.4276 COC1=C(OC)C=C(\C=C\C(O)CO)C=C1 BBP01438 [0,2,0,0,0,0|0,0,2]=4 42 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 BBP03131 [0,2,0,0,0,0|0,0,0]=2 43 B16R1.15083 CCOC(=O)\C=C\c1ccc(O)c(OC)c1 T2821 [0,2,0,0,0,0|0,0,0]=2 44 B14R2.4513 O=c1ccc2ccc(O)c(O)c2o1 T2851 [1,0,0,1,0,0|0,0,0]=2 45 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 BBP03178 [1,0,0,1,0,0|0,0,0]=2 46 B14R2.8239 O=c1ccc2cc(O)c(O)cc2o1 T2798 [1,0,0,1,0,0|0,0,0]=2 47 B16R2.36472 COC1=C(O)C(O)=C2OC(=O)C=CC2=C1 BBP03086 [0,1,0,1,0,0|0,0,0]=2 48 B16R2.36472 COc1cc2ccc(=O)oc2c(O)c1O T2909 [0,1,0,1,0,0|0,0,0]=2 49 B16R2.1461 COC1=C(OC)C=C2OC(=O)C=CC2=C1 BBP00320 [0,1,0,1,0,0|0,0,0]=2 50 B16R2.1461 COc1cc2ccc(=O)oc2cc1OC T2729 [0,1,0,1,0,0|0,0,0]=2 51 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OC=C3 BBP01140 [0,0,0,2,0,0|1,0,1]=4 52 B16R3.10840 O=c1ccc2cc3ccoc3cc2o1 T2942 [0,0,0,2,0,0|1,0,1]=4 53 B16R3.11020 O=C1C=CC2=C(O1)C3=C(C=C2)OC=C3 BBP01130 [0,0,0,2,0,0|1,0,1]=4 54 B16R3.11020 O=c1ccc2ccc3occc3c2o1 T2875 [0,0,0,2,0,0|1,0,1]=4 55 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [1,0,0,0,1,0|0,0,1]=3 56 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBP00056 [0,0,0,0,2,0|0,0,0]=2 57 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BBP03197 [0,0,0,0,2,0|1,0,0]=3 58 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,0,0,0,2,0|0,0,0]=2 59 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,0,0,0,2,0|1,0,0]=3