0 B11R1.266 CCc1cc(C(N)=S)ccn1 T1165 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.266 COc1cccc(C(=O)O)c1 T5982 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.266 COc1cccc(C(N)=O)c1 T7439 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,0,0,0,0,0|0,0,0]=1 11 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.258 O=C(O)c1ccnc(C(=O)O)c1 T2167 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.453 COc1ccc(O)c(C(=O)O)c1 T5888 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.31 O=C(O)c1ccc(CO)o1 T5278 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.438 COc1cccc(CC(=O)O)c1 Fr13883 [0,0,0,0,0,1|0,0,0]=1 18 B9R0.55 O=C(O)\C=C/C=C/C(=O)O T5588 [1,0,1,0,0,0|1,0,0]=3 19 B9R0.55 O=C(O)\C=C\C=C\C(=O)O T7154 [1,0,1,0,0,0|1,0,0]=3 20 B9R1.2 CNc1cccc(C)c1 T0557 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.2 O=Cc1cccc(O)c1 T4778 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.2 OCc1cccc(O)c1 T4760 [2,0,0,0,0,0|0,0,1]=3 23 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.6 N=C(N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 31 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.6 O=C(O)c1ccncc1 Fr13756 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 O=C(O)c1cnccn1 T0569 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 O=C([O-])c1ccccc1 T8124 [2,0,0,0,0,0|0,0,1]=3 36 B9R1.6 O=C([O-])c1ccccn1 T4575 [2,0,0,0,0,0|1,0,1]=4 37 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.21 CN1C=C(C(N)=O)C=CC1=O T8150 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.21 Cn1cc(C(=O)O)ccc1=O T6981 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.74 O=C(O)c1cc(O)cc(Cl)c1 T7482 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.167 Nc1ccc(Cl)cc1C(=O)O T0567 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 T0646 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.9 COc1cc(O)cc(OC)c1 T7438 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.189 COc1cccc(CCN)c1 T7855 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.280 C=Cc1ccc(O)c(OC)c1 T8197 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.280 COc1cc(C=O)ccc1O T6717 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.280 COc1cc(CN)ccc1O T1356 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.280 COc1cc(CO)ccc1O T2860 [1,1,0,0,0,0|0,0,1]=3 60 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 T3S0507 [0,1,0,0,0,1|0,0,0]=2 61 B13R1.298 COc1cc(C(=O)O)cc(O)c1O TN1237 [0,2,0,0,0,0|0,0,0]=2 62 B13R1.13 CC(=O)c1ccc(O)c(C(=O)O)c1 T2735 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.13 O=C(O)c1ccc(O)c(C(=O)O)c1 T0553 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 T2818 [0,2,0,0,0,0|0,0,0]=2 65 B13R1.49 COc1cc(C(O)CN)ccc1O T4945 [0,2,0,0,0,0|1,0,1]=4 66 B13R1.50 COc1cc(S(=O)(=O)[O-])ccc1O T0284 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.3091 COc1ccc(C(=O)O)cc1OC T3744 [0,2,0,0,0,0|0,0,0]=2 68 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,1,1,0,0|1,0,1]=4 69 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,0,1,1,0,0|1,0,1]=4 70 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,0,1,1,0,0|1,0,1]=4 71 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [1,0,0,0,0,1|1,0,0]=3 72 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 T0339 [1,0,0,0,0,1|1,0,0]=3 73 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [1,0,0,0,0,1|0,0,0]=2 74 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,0,0,0,1,1|0,0,0]=2 75 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,0,0,0,1,1|2,0,0]=4 76 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [0,0,0,0,1,1|2,0,0]=4 77 B13R1.643 COc1cccc(CCC(=O)O)c1 T5272 [0,0,0,0,0,2|0,0,0]=2