0 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 BBP03590 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 BBP05047 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 BBP00050 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBP04530 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [2,0,0,0,0,0|0,0,0]=2 13 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [2,0,0,0,0,0|0,0,0]=2 14 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [2,0,0,0,0,0|0,0,1]=3 15 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [2,0,0,0,0,0|0,0,1]=3 16 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,1]=4 17 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.83 C\C=C\c1ccc(OC)cc1 T0014 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.83 C\C=C\c1ccc(OC)cc1 T0762 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [1,1,0,0,0,0|0,0,0]=2 28 B11R1.279 COC1=C(O)C=C(CO)C=C1 BBP05133 [1,1,0,0,0,0|0,0,1]=3 29 B11R1.279 COC1=CC(O)=C(C=O)C=C1 BBP05066 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBP00471 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.3091 COC1=CC=C(C(=O)O)C=C1OC BBP01344 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.3091 COc1ccc(C(=O)O)cc1OC T3744 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.3096 COC1=C(O)C(O)=C(C(C)=O)C=C1 BBP03606 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 BBP03596 [0,2,0,0,0,0|1,0,0]=3 47 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 BBP02003 [0,0,0,1,0,1|0,0,0]=2 48 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,0,0,0,0,1|1,0,0]=3 49 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [1,0,0,0,0,1|0,0,0]=2 50 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [1,0,0,0,0,1|0,0,0]=2