0 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 T10112 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.450 COC1=CC(Cl)=C(OC)C=C1Cl T20532 [0,1,0,0,0,0|3,0,0]=4 6 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,1]=4 9 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|1,0,0]=3 10 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|0,0,1]=3 11 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [2,0,0,0,0,0|0,0,0]=2 12 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [2,0,0,0,0,0|0,0,2]=4 13 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.15 COc1ccccc1O T3267 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|0,0,2]=4 16 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|0,0,1]=3 18 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.2 CNc1cccc(C)c1 T0557 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.2 O=Cc1cccc(O)c1 T4778 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.2 OCc1cccc(O)c1 T4760 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [1,1,0,0,0,0|0,0,0]=2 24 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.83 C=CCc1ccc(OC)cc1 T5649 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.83 C\C=C\c1ccc(OC)cc1 T0014 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.83 C\C=C\c1ccc(OC)cc1 T0762 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.464 O=Cc1c(O)cc(O)cc1O TN1206 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [1,1,0,0,0,0|1,0,1]=4 44 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [1,0,0,0,1,0|2,0,0]=4 47 B11R1.9 COc1cc(O)cc(OC)c1 T7438 [0,0,0,0,1,1|2,0,0]=4