0 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,0,0|1,1,0]=3 3 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.7 CC(=O)c1nccs1 T8042 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,0,0|0,1,0]=2 10 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 OC(=O)c1cnsc1 T4675 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 OC(=O)c1nc[nH]n1 T1371 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,1,0,0,0,0|1,1,0]=3 14 B8R0.23 OC(=O)CC(=C)C(O)=O T4837 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.28 NC(=N)S/C=C\C(O)=O T23556 [0,0,1,0,0,0|3,0,0]=4 16 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,0,1|3,0,0]=4 17 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,0,1|2,0,0]=3 19 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,0,1|3,0,0]=4 21 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,0,1|2,0,0]=3 22 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,0,1|1,1,0]=3 25 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.54 Nc1nc(CC(O)=O)cs1 T7935 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.54 OC(=O)Cc1nc(Cl)cs1 T4402 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,0,0,0,0,1|2,1,0]=4 33 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,0,0,0,0,1|2,1,0]=4 34 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,0,0,0,0,1|2,1,0]=4 35 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.113 NC1CC(=CC=C1)C(O)=O T24080 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.113 OC(=O)c1ccc[n+]([O-])c1 T0067 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,0,0,0,0,1|1,1,1]=4 41 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,1,0,0,0|1,0,1]=4 43 B7R1.2 C=C1OC(=O)C=C1 TN2420 [2,0,0,0,0,0|1,1,0]=4 44 B7R1.2 O=C1NC(=O)C=C1 T4820 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.21 OCc1ccc(C=O)o1 T2943 [1,1,0,0,0,0|1,1,0]=4 46 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.11 COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|0,1,0]=3 48 B9R1.41 CC(=O)c1occc1O T32217 [1,1,0,0,0,0|1,1,0]=4 49 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,1|1,1,0]=4 57 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,1|1,0,0]=3 65 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.74 OC(=O)c1c[14c](=O)[nH]c(=O)[nH]1 T12325 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T0746 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T21194 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T27963 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T31267 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T5078 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.74 OC(=O)c1cc(O)cc(Cl)c1 T7482 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.74 OC(=O)c1cc(O)cc(O)c1 T0570 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.74 OC(=O)c1cc(O)nc(O)c1 T20863 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.159 Nc1c(O)cccc1C(O)=O T4707 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.159 OC(=O)c1cccc(O)c1O T4810 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.167 OC(=O)c1nc(Cl)ccc1Cl T19953 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.266 COc1cccc(c1)C(O)=O T5982 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.175 OC(=O)c1ccc(o1)C(O)=O T5275 [0,2,0,0,0,0|1,1,0]=4 86 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,1,1,0,0|2,0,0]=4 87 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,1,1,0,0|2,0,0]=4 88 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,1,1,0,0|2,0,0]=4 90 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [0,0,1,1,0,0|1,1,0]=4 91 B9R0.55 OC(=O)/C=C/C=C/C(O)=O T7154 [0,0,1,0,0,1|1,1,0]=4 92 B9R0.55 OC(=O)/C=C/C=C\C(O)=O T5588 [0,0,1,0,0,1|1,1,0]=4 93 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,0,0,0,0,1|1,1,0]=4 94 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,0,0,0,0,1|2,0,0]=4 95 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [1,0,0,0,0,1|2,0,0]=4 96 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [1,0,0,0,0,1|2,0,0]=4 97 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [0,0,0,0,0,2|2,0,0]=4 98 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,2|2,0,0]=4 99 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,0,0,0,0,2|2,0,0]=4 100 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,0,0,0,0,2|2,0,0]=4