0 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 COc1ccccc1O T3267 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|0,0,2]=3 8 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,0,0,0,0,0|0,0,1]=2 10 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.37 COc1ccc(O)cc1OC T3745 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.464 O=Cc1c(O)cc(O)cc1O TN1206 [0,1,0,0,0,0|1,0,0]=2 24 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 27 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,2]=4 28 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.5 O=c1ccocc1O TL0015 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.5 ON1C=CC=CC1=S T12593 [2,0,0,0,0,0|1,1,0]=4 32 B8R1.4 Oc1cccc(O)n1 T4720 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.61 O=C(O)c1ncccc1O T5986 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.78 COc1ccc(CO)cc1OC T0657 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.893 O=C(O)c1ccc(O)c(O)c1O T8023 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.1000 CC(=O)C1=C([O-])C=C(C)OC1=O T22427 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.1000 Cc1cc(O)cc(O)c1C(=O)O T2839 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 T10112 [0,2,0,0,0,0|2,0,0]=4 62 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.612 O=c1nsc2cc(F)ccc12 T5601 [0,1,0,1,0,0|1,1,0]=4 64 B12R2.606 O=c1oc2cc(O)ccc2s1 T0515 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,1,0|1,0,0]=3