0 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBP04040 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.61 O=C(O)c1ccccc1O T0649 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O T4088 [0,1,0,0,0,0|0,0,1]=2 9 B12R1.232 CC1=C[C@H](O)[C@H](C(C)C)CC1=O BBP04586 [0,1,0,0,0,0|0,0,3]=4 10 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 BBP05047 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 BBP00050 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O BBP02841 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.1703 CC1=CC(O)=C(C(C)CO)C=C1 BBP04422 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.15 OCC1=CC=CC=C1O BBP00748 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.37 COC1=C(OC)C=C(O)C=C1 BBP01277 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.81 N#CCC1=C(O)C=C(O)C=C1 BBP01498 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.279 COC1=C(O)C=C(CO)C=C1 BBP05133 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.279 COC1=CC(O)=C(C=O)C=C1 BBP05066 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.222 COC(=O)C1=C(O)C=CC=C1 BBP04331 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 BBP03596 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.3096 COC1=C(O)C(O)=C(C(C)=O)C=C1 BBP03606 [0,2,0,0,0,0|1,0,1]=4 38 B11R2.36 OC1=CC2=C(C=C1)OCO2 BBP03902 [1,0,0,1,0,0|2,0,0]=4 39 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [1,0,0,1,0,0|2,0,0]=4