0 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 T24698 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 T12630 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.23 N[C@H](C(O)=O)c1ccsc1 T38311 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.54 Nc1nc(CC(O)=O)cs1 T7935 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.54 OC(=O)Cc1nc(Cl)cs1 T4402 [0,1,0,0,0,0|2,1,0]=4 7 B10R1.64 Cn1cncc1CC(O)=O T13819 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.64 Cn1cncc1CC(O)=O T13820 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,0,1,0,0,0|1,0,2]=4 10 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,0,0,0,1,0|1,0,1]=3 11 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,1,0|0,1,0]=2 12 B8R1.7 CC(=O)c1nccs1 T8042 [0,0,0,0,1,0|1,1,0]=3 13 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [0,0,0,0,1,0|3,0,0]=4 14 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,0,0,0,1,0|2,0,0]=3 15 B8R1.7 OC(=O)c1ccco1 T5544 [0,0,0,0,1,0|1,0,0]=2 16 B8R1.7 OC(=O)c1ccoc1 T5277 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,1|2,0,0]=3 19 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,0,0,0,0,1|2,1,0]=4 20 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,0,0,0,1|2,0,1]=4 21 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,0,0,0,1|2,0,1]=4 22 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,0,1|0,0,0]=1 24 B10R1.66 NC(=N)SCc1cccs1 T34911 [0,0,0,0,0,1|2,1,0]=4 25 B10R1.66 OC(=O)CCc1c[nH]cn1 T9494 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,0,0,0,0,1|2,0,0]=3 27 B7R0.2 COC(=O)CC(C)=O T4851 [1,0,1,0,0,0|1,0,1]=4 28 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.55 OC(=O)/C=C/C=C/C(O)=O T7154 [0,1,1,0,0,0|1,0,1]=4 31 B9R0.55 OC(=O)/C=C/C=C\C(O)=O T5588 [0,1,1,0,0,0|1,0,1]=4 32 B9R0.55 OC(=O)C/C=C/CC(O)=O T5246 [0,1,1,0,0,0|1,0,1]=4 33 B9R1.11 COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,1,0|0,1,0]=3 35 B9R1.41 CC(=O)c1occc1O T32217 [0,1,0,0,1,0|0,0,0]=2 36 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,1|1,0,1]=4 41 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,1,0,0,0,1|1,0,1]=4 48 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.314 NC(C(O)=O)c1cc(O)no1 TQ0279 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.314 N[C@H](C(O)=O)c1cc(=O)[nH]o1 T25717 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.76 Cc1ccc(C[N+](C)(C)C)o1 T22522 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,1,1,0,0|1,0,1]=4 58 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,1|2,0,0]=4 59 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,1|2,0,0]=4 60 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,1|1,0,0]=3 61 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,0,2|1,0,1]=4 62 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,0,2|1,0,1]=4 63 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,0,2|1,0,0]=3 64 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,0,2|1,0,0]=3 65 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,2|1,0,0]=3 66 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,2|1,0,0]=3 67 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,0,0,0,0,2|2,0,0]=4 68 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,0,0,0,0,2|2,0,0]=4 69 B11R1.172 CC(=O)NCCc1c[nH]cn1 T19443 [0,0,0,0,0,2|2,0,0]=4