0 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,0,0|0,0,0]=1 1 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,0,0|1,0,0]=2 2 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.31 O=C(O)c1ccc(CO)o1 T5278 [0,1,0,0,0,0|1,0,0]=2 4 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,0,0,0,0,1|2,0,0]=3 5 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [0,0,0,0,0,1|2,0,1]=4 6 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,0,0,0,0,1|2,0,0]=3 7 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,1|3,0,0]=4 8 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,0,1|3,0,0]=4 9 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,0,0,0,0,1|3,0,0]=4 10 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,0,1|3,0,0]=4 11 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,0,0,0,0,1|3,0,0]=4 12 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,0,0,0,0,1|2,0,0]=3 13 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,0,0,0,0,1|3,0,0]=4 14 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,0,0,0,0,1|3,0,0]=4 16 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,0,0,0,0,1|3,0,0]=4 19 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,0,0]=3 20 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,0,0]=3 21 B7R1.2 O=C1C=CC(=O)N1 T4820 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.21 O=Cc1ccc(CO)o1 T2943 [1,1,0,0,0,0|0,0,0]=2 23 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [1,1,0,0,0,0|1,0,0]=3 24 B9R1.11 COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,1,0,0,0,1|2,0,0]=4 26 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,1,0,0,0,1|2,0,0]=4 27 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,1|2,0,0]=4 28 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,1|2,0,0]=4 29 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|2,0,0]=4 30 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,1|1,0,0]=3 33 B11R1.76 CC1=CC=C(C[N+](C)(C)C)O1 T22522 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,0,0]=3 35 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.266 COc1cccc(C(=O)O)c1 T5982 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.266 COc1cccc(C(N)=O)c1 T7439 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.6 CC1=CC=C(S(=O)(=O)NO)O1 T14967 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.175 O=C(O)c1ccc(C(=O)O)o1 T5275 [0,2,0,0,0,0|1,0,1]=4 41 B9R1.5 O=C1C=CC=CC=C1O T8087 [0,0,1,1,0,0|0,0,2]=4 42 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,1,1,0,0|1,0,1]=4 43 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,0,1,1,0,0|0,0,2]=4 44 B9R0.55 O=C(O)\C=C/C=C/C(=O)O T5588 [0,0,1,0,0,1|2,0,0]=4 45 B9R0.55 O=C(O)\C=C\C=C\C(=O)O T7154 [0,0,1,0,0,1|2,0,0]=4 46 B9R1.2 CNc1cccc(C)c1 T0557 [1,0,0,0,0,1|2,0,0]=4 47 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,0,0,0,0,1|2,0,0]=4 48 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,2|2,0,0]=4 49 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,2|2,0,0]=4 50 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,0,0,0,0,2|2,0,0]=4 51 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 T0339 [0,0,0,0,0,2|2,0,0]=4