0 B9R1.69 CC1=C(O)C=CC(O)=C1 BBP04832 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=CNC(=O)NC1=O BBP05367 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=CNC(=O)NC1=O TWO2759 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.3 OC1=CC=C(O)C=C1 T0673 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.4 OC1=CC=CC(O)=C1 BBP01971 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.5 O=C1C=COC=C1O BBP03674 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.5 OC1=C(O)C=CC=C1 BBP01074 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.5 Oc1ccccc1O T4847 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.30 CN1C=CC(=O)C(C#N)=C1 BBP02218 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.30 O=CC1=C(O)C=CC(O)=C1 BBP01230 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.118 Cc1nc(C)c(C)nc1C T2722 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.118 Cc1nc(C)c(C)nc1C T2953 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.176 O=C1C=C(CO)OC=C1O BBP04330 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BBP00813 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,0,1]=4 19 B7R1.3 Nc1ccccc1 T4777 [2,0,0,0,0,0|1,0,0]=3 20 B7R1.3 OC1=CC=CC=C1 TCS0927 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [1,1,0,0,0,0|1,0,1]=4 22 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [1,1,0,0,0,0|1,0,0]=3 24 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|1,0,0]=3 25 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [1,1,0,0,0,0|0,0,0]=2 26 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|0,0,0]=2 27 B9R1.3 CC1=C(O)C(=O)C=CO1 BBP02650 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.3 OC1=CC=CC(O)=C1O BBP01103 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.3 OC1=CC=CC(O)=C1O T3749 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.34 CC1=CC(O)=CC(O)=C1 BBP01205 [1,1,0,0,0,0|0,0,0]=2 31 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|0,0,0]=2 32 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|0,0,0]=2 33 B9R1.15 OCC1=CC=CC=C1O BBP00748 [1,1,0,0,0,0|0,0,0]=2 34 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.14 CCC1=CC(O)=C(C)C(=O)O1 BBP04339 [0,2,0,0,0,0|1,0,0]=3 36 B11R1.37 COC1=C(OC)C=C(O)C=C1 BBP01277 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.81 N#CCC1=C(O)C=C(O)C=C1 BBP01498 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [0,2,0,0,0,0|0,0,0]=2 39 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBP04040 [0,2,0,0,0,0|0,0,0]=2 42 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,2,0,0,0,0|0,0,0]=2 43 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [0,2,0,0,0,0|0,0,1]=3 44 B11R1.279 COC1=C(O)C=C(CO)C=C1 BBP05133 [0,2,0,0,0,0|0,0,0]=2 45 B11R1.279 COC1=CC(O)=C(C=O)C=C1 BBP05066 [0,2,0,0,0,0|0,0,1]=3 46 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|0,0,1]=3 47 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,2,0,0,0,0|0,0,0]=2 52 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 BBP01609 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.192 OCCC1=CC(O)=C(O)C=C1 BBP00971 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|1,0,0]=3 58 B11R2.36 OC1=CC2=C(C=C1)OCO2 BBP03902 [0,1,0,1,0,0|1,0,0]=3 59 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|1,0,0]=3